#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbl s ILE 37 N 0.00 5.04 -0.24 1.69 1.01 -1.26 -4.97 121.20 122.47 3hbl s ILE 37 Ca 0.00 1.26 0.03 0.00 0.00 0.00 0.00 60.65 61.94 3hbl s ILE 37 Cb 0.00 -3.97 -0.17 0.00 0.01 0.00 0.00 42.46 38.33 3hbl s ILE 37 CO 0.00 0.17 -0.19 0.29 0.00 0.00 0.00 174.94 175.21 3hbl n LYS 38 N 4.56 0.64 -4.04 2.79 4.76 -1.26 -4.77 118.16 120.83 3hbl n LYS 38 Ca -0.02 0.12 -0.15 0.00 -2.87 0.00 0.00 58.31 55.40 3hbl n LYS 38 Cb 0.50 -1.49 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 3hbl n LYS 38 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hbl s LYS 39 N -2.48 0.29 -0.03 1.97 1.02 -1.26 -1.83 119.74 117.42 3hbl s LYS 39 Ca -0.30 -0.10 0.07 0.00 0.02 0.00 0.00 55.97 55.66 3hbl s LYS 39 Cb 0.08 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.07 3hbl s LYS 39 CO 0.58 0.05 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.65 3hbl s LEU 40 N 0.07 2.04 -0.06 3.17 0.20 0.98 -2.51 118.68 122.57 3hbl s LEU 40 Ca -0.00 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.42 3hbl s LEU 40 Cb -0.03 -1.23 -0.02 0.00 -0.43 0.00 0.00 46.19 44.48 3hbl s LEU 40 CO -0.00 0.27 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.92 3hbl s LEU 41 N -0.44 2.43 -0.37 -0.68 2.96 0.03 0.46 118.68 123.06 3hbl s LEU 41 Ca 0.06 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3hbl s LEU 41 Cb -0.10 -1.48 0.05 0.00 0.50 0.00 0.00 46.19 45.16 3hbl s LEU 41 CO 0.00 0.28 0.17 -0.69 -1.32 0.00 0.00 176.35 174.79 3hbl s VAL 42 N -0.33 4.13 -1.44 1.68 1.01 -0.86 -0.65 120.40 123.93 3hbl s VAL 42 Ca 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 3hbl s VAL 42 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3hbl s VAL 42 CO 0.02 -0.28 2.42 0.00 0.00 0.00 0.00 175.10 177.26 3hbl n ALA 43 N 4.89 5.94 -3.22 5.51 0.00 -0.91 -4.03 120.51 128.69 3hbl n ALA 43 Ca -0.11 -3.67 0.02 0.00 0.00 0.00 0.00 53.44 49.68 3hbl n ALA 43 Cb 0.45 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3hbl n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hbl n ASN 44 N 5.41 -0.38 -3.55 0.00 4.05 -1.26 -4.63 115.26 114.89 3hbl n ASN 44 Ca 0.59 -1.18 -0.15 0.00 0.45 0.00 0.00 54.58 54.29 3hbl n ASN 44 Cb 0.34 0.61 -0.07 0.00 1.23 0.00 0.00 39.78 41.89 3hbl n ASN 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hbl s ARG 45 N -2.01 1.68 3.45 1.20 1.70 -1.26 -4.60 118.95 119.11 3hbl s ARG 45 Ca 0.06 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.56 3hbl s ARG 45 Cb -0.01 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3hbl s ARG 45 CO 0.01 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 173.99 3hbl n GLY 46 N -0.50 0.75 0.24 3.88 0.00 -1.26 -3.11 105.19 105.19 3hbl n GLY 46 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.29 3hbl n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hbl h GLU 47 N 0.00 0.39 -0.72 1.61 -0.00 -1.83 -1.45 114.58 112.58 3hbl h GLU 47 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3hbl h GLU 47 Cb 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 28.75 28.63 3hbl h GLU 47 CO 0.00 0.26 0.46 0.97 -0.00 0.00 0.00 179.01 180.70 3hbl h ILE 48 N 0.40 1.19 0.28 -1.06 6.09 -1.90 0.33 117.51 122.85 3hbl h ILE 48 Ca 0.32 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 3hbl h ILE 48 Cb 0.42 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 37.84 3hbl h ILE 48 CO -0.33 0.19 -0.31 0.00 -3.07 0.00 0.00 178.15 174.63 3hbl h ALA 49 N 1.25 -0.65 -1.00 0.18 0.00 -1.23 0.95 119.26 118.76 3hbl h ALA 49 Ca 0.26 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3hbl h ALA 49 Cb -0.09 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3hbl h ALA 49 CO -0.05 -0.90 0.63 0.82 0.00 0.00 0.00 179.25 179.75 3hbl h ILE 50 N -0.64 0.92 0.25 0.00 2.04 -1.16 0.17 117.51 119.10 3hbl h ILE 50 Ca -0.01 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3hbl h ILE 50 Cb 0.59 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3hbl h ILE 50 CO -0.08 0.18 -0.12 -0.09 0.00 0.00 0.00 178.15 178.04 3hbl h ARG 51 N 0.99 -0.33 -0.98 2.37 9.65 -0.28 -0.47 114.38 125.34 3hbl h ARG 51 Ca 0.50 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.43 3hbl h ARG 51 Cb 0.49 0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.09 3hbl h ARG 51 CO -0.26 -0.13 0.64 0.82 2.80 0.00 0.00 179.97 183.84 3hbl h ILE 52 N -0.47 1.17 -0.53 1.20 2.04 0.06 -1.45 117.51 119.53 3hbl h ILE 52 Ca -0.03 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.46 3hbl h ILE 52 Cb 0.35 -0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 3hbl h ILE 52 CO 0.06 0.23 0.23 -0.26 0.00 0.00 0.00 178.15 178.40 3hbl h PHE 53 N 1.24 0.41 -0.63 1.37 0.05 -0.43 -1.61 116.94 117.34 3hbl h PHE 53 Ca 0.39 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 62.13 3hbl h PHE 53 Cb -0.00 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 37.82 3hbl h PHE 53 CO -0.00 0.16 0.13 -0.09 -0.18 0.00 0.00 178.31 178.33 3hbl h ARG 54 N 0.44 1.01 -0.10 1.51 2.43 -0.01 0.33 114.38 119.99 3hbl h ARG 54 Ca 0.25 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hbl h ARG 54 Cb 0.22 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hbl h ARG 54 CO -0.21 0.92 0.01 0.00 -1.51 0.00 0.00 179.97 179.17 3hbl h ALA 55 N 1.17 0.13 -0.39 2.80 0.00 -1.20 -1.63 119.26 120.15 3hbl h ALA 55 Ca 0.20 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hbl h ALA 55 Cb 0.38 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3hbl h ALA 55 CO 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.08 3hbl h ALA 56 N 0.77 0.38 -0.25 0.00 0.00 -0.94 -1.08 119.26 118.14 3hbl h ALA 56 Ca 0.03 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hbl h ALA 56 Cb 0.31 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hbl h ALA 56 CO 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 179.25 178.98 3hbl h ALA 57 N 1.32 0.28 -0.08 0.00 0.00 -0.83 0.15 119.26 120.11 3hbl h ALA 57 Ca 0.19 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hbl h ALA 57 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hbl h ALA 57 CO -0.29 -0.32 0.17 0.93 0.00 0.00 0.00 179.25 179.74 3hbl h GLU 58 N 0.21 0.00 -0.60 0.00 5.08 -0.69 0.21 114.58 118.79 3hbl h GLU 58 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hbl h GLU 58 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hbl h GLU 58 CO -0.10 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.19 3hbl n LEU 59 N -3.35 5.39 -1.15 1.33 4.77 0.35 -4.93 117.00 119.41 3hbl n LEU 59 Ca -0.01 -2.76 -0.14 0.00 -0.03 0.00 0.00 56.01 53.08 3hbl n LEU 59 Cb 0.26 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3hbl n LEU 59 CO 0.22 0.70 -0.13 0.47 -1.33 0.00 0.00 177.39 177.32 3hbl n ASP 60 N 0.80 -4.84 -4.75 -1.43 8.00 0.73 -4.95 116.55 110.11 3hbl n ASP 60 Ca 0.27 0.34 -0.39 0.00 0.71 0.00 0.00 54.79 55.71 3hbl n ASP 60 Cb 1.09 -3.96 -0.05 0.00 -0.02 0.00 0.00 41.12 38.18 3hbl n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbl s ILE 61 N -2.11 4.84 0.32 0.53 1.01 -0.19 -4.99 121.20 120.61 3hbl s ILE 61 Ca 0.00 1.45 -0.28 0.00 0.00 0.00 0.00 60.65 61.82 3hbl s ILE 61 Cb 0.00 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3hbl s ILE 61 CO 0.00 0.37 1.12 -0.55 0.00 0.00 0.00 174.94 175.89 3hbl s SER 62 N -0.01 7.05 0.00 3.58 0.15 -0.76 -3.82 113.70 119.90 3hbl s SER 62 Ca 0.35 2.29 0.03 0.00 0.70 0.00 0.00 55.95 59.33 3hbl s SER 62 Cb -0.19 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.46 3hbl s SER 62 CO 0.20 -0.30 -0.06 0.42 1.20 0.00 0.00 173.24 174.71 3hbl s THR 63 N -1.26 3.73 -0.05 6.45 -4.23 -1.26 -0.01 115.64 119.00 3hbl s THR 63 Ca 0.48 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 60.28 3hbl s THR 63 Cb -0.31 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 70.91 3hbl s THR 63 CO 0.40 0.40 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.05 3hbl s VAL 64 N -1.01 1.23 0.04 2.29 1.01 0.17 -1.62 120.40 122.52 3hbl s VAL 64 Ca 0.17 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3hbl s VAL 64 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hbl s VAL 64 CO 0.08 0.37 -0.25 0.00 0.00 0.00 0.00 175.10 175.30 3hbl s ALA 65 N 0.36 2.32 0.13 5.51 0.00 0.16 -2.04 121.76 128.21 3hbl s ALA 65 Ca -0.09 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3hbl s ALA 65 Cb -0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3hbl s ALA 65 CO 0.03 0.54 0.06 0.96 0.00 0.00 0.00 175.76 177.35 3hbl s ILE 66 N -0.81 4.20 0.07 0.00 -4.36 -1.26 -1.42 121.20 117.62 3hbl s ILE 66 Ca 0.12 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.33 3hbl s ILE 66 Cb -0.10 -3.07 0.01 0.00 1.25 0.00 0.00 42.46 40.55 3hbl s ILE 66 CO 0.02 0.00 0.27 -0.72 0.24 0.00 0.00 174.94 174.75 3hbl s TYR 67 N -1.55 -0.02 0.13 1.37 1.13 -0.93 -4.85 117.35 112.63 3hbl s TYR 67 Ca 0.28 -0.24 0.02 0.00 -1.41 0.00 0.00 57.07 55.72 3hbl s TYR 67 Cb -0.11 0.05 0.02 0.00 -1.10 0.00 0.00 41.96 40.82 3hbl s TYR 67 CO 0.21 -0.53 0.13 -1.13 -2.51 0.00 0.00 175.55 171.72 3hbl n SER 68 N 0.30 0.96 -0.05 -0.18 3.41 -1.26 -2.29 113.62 114.51 3hbl n SER 68 Ca -0.17 -1.39 -0.12 0.00 -0.26 0.00 0.00 58.87 56.93 3hbl n SER 68 Cb 0.61 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 3hbl n SER 68 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hbl h ASN 69 N 0.09 0.27 -0.04 4.04 4.21 -1.85 -2.70 115.58 119.61 3hbl h ASN 69 Ca -0.07 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.11 3hbl h ASN 69 Cb 0.29 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 3hbl h ASN 69 CO 0.11 0.54 0.00 -1.84 -1.29 0.00 0.00 177.43 174.94 3hbl n GLU 70 N -4.73 1.38 -0.23 0.81 0.00 -1.26 -3.17 120.64 113.44 3hbl n GLU 70 Ca -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 57.16 56.65 3hbl n GLU 70 Cb 0.23 -1.44 0.22 0.00 0.00 0.00 0.00 31.44 30.45 3hbl n GLU 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hbl n ASP 71 N -0.29 3.37 0.00 -1.84 9.92 -1.06 -4.35 116.55 122.29 3hbl n ASP 71 Ca 0.19 -1.95 0.01 0.00 -0.53 0.00 0.00 54.79 52.51 3hbl n ASP 71 Cb 0.23 -0.30 0.06 0.00 -0.64 0.00 0.00 41.12 40.47 3hbl n ASP 71 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hbl n LYS 72 N 1.23 0.11 -0.00 -1.24 5.02 -1.04 -1.55 118.16 120.68 3hbl n LYS 72 Ca 0.18 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3hbl n LYS 72 Cb 0.54 -1.28 -0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3hbl n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hbl n SER 73 N -0.78 4.28 -4.55 4.39 3.41 -1.26 -5.07 113.62 114.04 3hbl n SER 73 Ca 0.01 -0.00 -0.51 0.00 -0.26 0.00 0.00 58.87 58.11 3hbl n SER 73 Cb 0.01 0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3hbl n SER 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hbl n SER 74 N -2.34 0.91 0.27 4.04 2.88 -0.60 -4.86 113.62 113.92 3hbl n SER 74 Ca -0.01 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.80 3hbl n SER 74 Cb 0.52 -1.13 0.73 0.00 -0.75 0.00 0.00 64.21 63.57 3hbl n SER 74 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hbl h LEU 75 N 3.31 0.00 -2.22 2.46 3.38 -1.88 -2.77 115.31 117.59 3hbl h LEU 75 Ca -0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3hbl h LEU 75 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3hbl h LEU 75 CO 0.69 0.11 -0.06 1.12 0.09 0.00 0.00 178.44 180.40 3hbl h HIS 76 N 0.00 0.00 -0.26 1.13 2.07 -1.89 -2.04 115.15 114.16 3hbl h HIS 76 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3hbl h HIS 76 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 3hbl h HIS 76 CO 0.00 0.06 0.14 -0.09 -3.07 0.00 0.00 177.93 174.97 3hbl h ARG 77 N 0.00 0.35 -0.02 5.12 2.43 -1.82 -2.94 114.38 117.51 3hbl h ARG 77 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hbl h ARG 77 Cb 0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hbl h ARG 77 CO 0.01 0.26 -0.25 0.66 -1.51 0.00 0.00 179.97 179.14 3hbl n TYR 78 N -4.46 0.00 0.91 2.20 0.53 -0.77 -4.23 117.16 111.34 3hbl n TYR 78 Ca 0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.01 3hbl n TYR 78 Cb 0.10 -0.01 0.21 0.00 -1.03 0.00 0.00 39.34 38.60 3hbl n TYR 78 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3hbl n LYS 79 N 0.38 2.24 -4.13 -0.72 4.76 -1.11 -4.92 118.16 114.67 3hbl n LYS 79 Ca 0.12 -1.82 -0.22 0.00 -2.87 0.00 0.00 58.31 53.51 3hbl n LYS 79 Cb 0.49 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 3hbl n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hbl s ALA 80 N -1.86 3.47 0.19 7.82 0.00 -1.26 -4.91 121.76 125.22 3hbl s ALA 80 Ca 0.33 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 3hbl s ALA 80 Cb 0.21 -1.00 0.10 0.00 0.00 0.00 0.00 23.12 22.43 3hbl s ALA 80 CO 0.31 0.18 1.71 -0.44 0.00 0.00 0.00 175.76 177.52 3hbl h ASP 81 N 1.59 1.00 -4.29 0.00 3.45 -1.83 -3.44 116.42 112.90 3hbl h ASP 81 Ca -0.46 -0.22 -0.53 0.00 0.43 0.00 0.00 57.03 56.25 3hbl h ASP 81 Cb 1.25 -0.26 -0.26 0.00 -0.56 0.00 0.00 39.33 39.50 3hbl h ASP 81 CO 0.61 0.96 -0.82 -1.61 -1.57 0.00 0.00 179.24 176.80 3hbl s GLU 82 N -5.36 1.24 -0.04 3.56 2.02 -0.64 -5.03 118.70 114.45 3hbl s GLU 82 Ca -0.12 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 3hbl s GLU 82 Cb 0.14 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 33.09 3hbl s GLU 82 CO 0.83 0.33 0.01 -1.54 0.02 0.00 0.00 175.26 174.92 3hbl s SER 83 N -1.12 0.88 -0.03 -0.19 1.04 -1.26 -0.66 113.70 112.36 3hbl s SER 83 Ca 0.06 -0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.52 3hbl s SER 83 Cb -0.08 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 3hbl s SER 83 CO 0.01 -0.15 -0.20 -0.31 0.98 0.00 0.00 173.24 173.57 3hbl s TYR 84 N 1.50 1.89 0.04 5.02 1.51 -0.51 -4.98 117.35 121.81 3hbl s TYR 84 Ca -0.03 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 3hbl s TYR 84 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 3hbl s TYR 84 CO -0.03 -0.10 1.04 -1.17 -1.11 0.00 0.00 175.55 174.18 3hbl s LEU 85 N -0.27 4.39 -1.17 -1.29 2.96 -1.26 -2.18 118.68 119.86 3hbl s LEU 85 Ca 0.02 1.79 -0.18 0.00 -0.22 0.00 0.00 54.13 55.55 3hbl s LEU 85 Cb -0.10 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.12 3hbl s LEU 85 CO 0.01 -0.30 1.51 0.68 -1.32 0.00 0.00 176.35 176.93 3hbl s VAL 86 N 0.86 4.43 0.12 1.68 -7.23 -0.97 -4.81 120.40 114.48 3hbl s VAL 86 Ca 0.53 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3hbl s VAL 86 Cb -0.24 -5.03 0.00 0.00 0.56 0.00 0.00 36.38 31.67 3hbl s VAL 86 CO 0.29 -1.82 0.00 0.61 -0.31 0.00 0.00 175.10 173.87 3hbl n GLY 87 N 5.34 -5.40 0.39 2.32 0.00 -1.26 -4.38 105.19 102.19 3hbl n GLY 87 Ca 0.39 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 3hbl n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hbl n SER 88 N 1.92 -0.83 -0.34 1.61 2.88 -1.26 -1.82 113.62 115.79 3hbl n SER 88 Ca 0.00 1.69 -0.04 0.00 -1.33 0.00 0.00 58.87 59.19 3hbl n SER 88 Cb 0.00 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.17 3hbl n SER 88 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3hbl h ASP 89 N 0.00 -1.50 -2.30 -3.46 1.82 -2.02 -3.43 116.42 105.54 3hbl h ASP 89 Ca 0.24 0.29 -0.58 0.00 -0.39 0.00 0.00 57.03 56.59 3hbl h ASP 89 Cb 0.48 0.75 0.05 0.00 0.68 0.00 0.00 39.33 41.28 3hbl h ASP 89 CO -0.92 -0.29 0.90 0.18 -1.61 0.00 0.00 179.24 177.49 3hbl n LEU 90 N -5.43 3.34 0.00 2.28 4.32 -0.76 -4.99 117.00 115.76 3hbl n LEU 90 Ca 0.07 1.05 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 3hbl n LEU 90 Cb 0.37 -1.45 0.00 0.00 -1.62 0.00 0.00 43.42 40.72 3hbl n LEU 90 CO -0.10 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.52 3hbl n GLY 91 N 3.71 -1.37 0.00 -0.72 0.00 -1.26 -4.72 105.19 100.83 3hbl n GLY 91 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hbl n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbl n PRO 92 N 0.00 0.00 0.04 1.61 -0.04 -1.26 -4.34 135.00 131.00 3hbl n PRO 92 Ca 0.00 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 3hbl n PRO 92 Cb 0.00 -0.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.91 3hbl n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hbl h ALA 93 N -2.00 0.11 -0.09 0.55 0.00 -1.97 -3.33 119.26 112.53 3hbl h ALA 93 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 54.91 54.26 3hbl h ALA 93 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hbl h ALA 93 CO 0.00 0.62 0.12 1.05 0.00 0.00 0.00 179.25 181.04 3hbl h GLU 94 N 0.30 0.00 0.00 0.00 4.11 -1.96 -2.89 114.58 114.14 3hbl h GLU 94 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 3hbl h GLU 94 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3hbl h GLU 94 CO 0.19 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.14 3hbl n SER 95 N -3.69 0.49 -0.97 3.06 3.41 -1.25 -1.48 113.62 113.19 3hbl n SER 95 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3hbl n SER 95 Cb 0.22 -0.69 0.18 0.00 -0.26 0.00 0.00 64.21 63.66 3hbl n SER 95 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hbl n TYR 96 N -1.99 0.17 -0.10 7.33 4.02 -1.09 -4.29 117.16 121.22 3hbl n TYR 96 Ca 0.05 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.90 57.74 3hbl n TYR 96 Cb 0.33 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.50 3hbl n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hbl n LEU 97 N 1.26 0.38 -4.55 7.72 7.99 -0.55 -4.36 117.00 124.89 3hbl n LEU 97 Ca 0.16 -0.02 -0.34 0.00 -0.01 0.00 0.00 56.01 55.80 3hbl n LEU 97 Cb 0.57 0.31 -0.03 0.00 -0.11 0.00 0.00 43.42 44.16 3hbl n LEU 97 CO 0.15 0.55 1.96 0.21 -1.51 0.00 0.00 177.39 178.75 3hbl s ASN 98 N -5.58 4.39 0.13 -1.43 3.04 -0.73 -4.83 114.94 109.93 3hbl s ASN 98 Ca -0.13 0.99 -0.19 0.00 0.04 0.00 0.00 52.86 53.57 3hbl s ASN 98 Cb 0.06 -2.50 -0.04 0.00 -1.54 0.00 0.00 41.25 37.23 3hbl s ASN 98 CO 0.79 -2.96 1.76 0.40 -3.04 0.00 0.00 177.10 174.04 3hbl h ILE 99 N 7.69 0.99 0.47 -5.21 5.03 -1.92 -2.52 117.51 122.04 3hbl h ILE 99 Ca -0.22 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.42 3hbl h ILE 99 Cb 1.25 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.78 3hbl h ILE 99 CO 1.15 0.04 -0.23 -0.33 -0.68 0.00 0.00 178.15 178.10 3hbl h GLU 100 N 0.23 -0.61 -0.58 2.37 4.39 -1.99 -2.24 114.58 116.14 3hbl h GLU 100 Ca 0.09 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.87 3hbl h GLU 100 Cb 0.03 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3hbl h GLU 100 CO -0.06 -0.32 0.38 -0.09 -1.16 0.00 0.00 179.01 177.76 3hbl h ARG 101 N -0.85 0.64 -0.31 2.33 9.65 -1.98 0.14 114.38 124.00 3hbl h ARG 101 Ca -0.06 -0.04 -0.16 0.00 -1.10 0.00 0.00 59.98 58.62 3hbl h ARG 101 Cb 0.57 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3hbl h ARG 101 CO 0.11 0.42 -0.43 0.82 2.80 0.00 0.00 179.97 183.69 3hbl h ILE 102 N 0.66 1.28 -0.17 1.20 2.04 -1.43 -2.44 117.51 118.65 3hbl h ILE 102 Ca 0.23 -1.61 -0.17 0.00 1.00 0.00 0.00 64.86 64.31 3hbl h ILE 102 Cb 0.11 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3hbl h ILE 102 CO -0.06 0.53 -0.58 0.40 0.00 0.00 0.00 178.15 178.43 3hbl h ILE 103 N 0.64 1.33 -0.81 -0.67 2.04 -0.71 -1.95 117.51 117.37 3hbl h ILE 103 Ca 0.04 -1.85 0.12 0.00 1.00 0.00 0.00 64.86 64.18 3hbl h ILE 103 Cb 1.00 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 38.82 3hbl h ILE 103 CO 0.10 0.57 0.42 0.44 0.00 0.00 0.00 178.15 179.68 3hbl h ASP 104 N 0.42 0.54 -0.28 1.72 3.45 -0.68 -1.48 116.42 120.12 3hbl h ASP 104 Ca 0.00 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.51 3hbl h ASP 104 Cb 1.14 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 3hbl h ASP 104 CO 0.11 0.27 0.08 0.58 -1.57 0.00 0.00 179.24 178.70 3hbl h VAL 105 N 0.65 1.21 -0.64 -1.35 2.07 -1.22 -2.61 116.25 114.36 3hbl h VAL 105 Ca 0.42 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3hbl h VAL 105 Cb 0.52 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3hbl h VAL 105 CO -0.32 0.22 0.43 0.00 0.02 0.00 0.00 177.57 177.93 3hbl h ALA 106 N 0.91 1.88 0.01 1.67 0.00 -0.55 -2.53 119.26 120.64 3hbl h ALA 106 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbl h ALA 106 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hbl h ALA 106 CO -0.00 -0.00 -0.00 0.87 0.00 0.00 0.00 179.25 180.11 3hbl h LYS 107 N 0.55 -0.01 0.00 0.00 1.57 -1.23 -1.00 116.57 116.44 3hbl h LYS 107 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hbl h LYS 107 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hbl h LYS 107 CO -0.09 0.67 0.06 1.04 -0.57 0.00 0.00 179.45 180.56 3hbl n GLN 108 N -4.76 0.00 0.00 3.15 3.00 -0.97 -0.72 117.38 117.08 3hbl n GLN 108 Ca -0.09 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3hbl n GLN 108 Cb 0.34 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.02 3hbl n GLN 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hbl n ALA 109 N -1.20 1.90 -3.15 -1.58 0.00 -1.13 -5.05 120.51 110.30 3hbl n ALA 109 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3hbl n ALA 109 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3hbl n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hbl n ASN 110 N -0.95 -7.41 -4.77 0.00 3.02 0.10 -5.03 115.26 100.23 3hbl n ASN 110 Ca 0.00 -0.16 -0.36 0.00 -0.03 0.00 0.00 54.58 54.03 3hbl n ASN 110 Cb 0.00 -4.81 -0.08 0.00 -0.61 0.00 0.00 39.78 34.28 3hbl n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbl s VAL 111 N -2.97 5.38 -0.03 2.41 1.01 -0.39 -4.71 120.40 121.10 3hbl s VAL 111 Ca 0.01 0.17 0.12 0.00 0.00 0.00 0.00 61.98 62.29 3hbl s VAL 111 Cb -0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 3hbl s VAL 111 CO 0.77 0.50 0.96 0.44 0.00 0.00 0.00 175.10 177.77 3hbl h ASP 112 N 6.15 0.00 -3.73 3.32 5.19 -1.82 -3.45 116.42 122.07 3hbl h ASP 112 Ca -0.45 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.78 3hbl h ASP 112 Cb 1.18 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.42 3hbl h ASP 112 CO 0.70 0.86 -0.47 0.00 -3.12 0.00 0.00 179.24 177.20 3hbl s ALA 113 N -2.74 -0.53 -0.14 3.45 0.00 -1.18 0.14 121.76 120.75 3hbl s ALA 113 Ca -0.02 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 3hbl s ALA 113 Cb 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3hbl s ALA 113 CO 0.81 -0.12 -0.10 0.42 0.00 0.00 0.00 175.76 176.77 3hbl s ILE 114 N 0.32 3.30 -0.34 0.00 1.01 0.31 -0.79 121.20 125.00 3hbl s ILE 114 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3hbl s ILE 114 Cb -0.03 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3hbl s ILE 114 CO -0.01 0.51 0.28 -2.28 0.00 0.00 0.00 174.94 173.43 3hbl s HIS 115 N 0.45 3.22 -1.50 3.97 2.46 0.17 0.25 115.29 124.31 3hbl s HIS 115 Ca -0.08 -0.18 0.30 0.00 0.47 0.00 0.00 55.06 55.58 3hbl s HIS 115 Cb -0.15 -2.54 1.57 0.00 -0.13 0.00 0.00 32.58 31.33 3hbl s HIS 115 CO 0.04 -0.39 2.08 -0.35 -2.47 0.00 0.00 174.74 173.65 3hbl n PRO 116 N 5.18 0.50 0.00 2.88 -0.04 -1.26 -2.15 135.00 140.12 3hbl n PRO 116 Ca -0.12 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3hbl n PRO 116 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3hbl n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hbl n GLY 117 N 1.25 3.33 3.13 0.55 0.00 -1.26 -4.08 105.19 108.11 3hbl n GLY 117 Ca 0.15 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3hbl n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hbl s TYR 118 N 0.00 0.94 -0.61 1.61 -0.85 -1.26 -4.29 117.35 112.89 3hbl s TYR 118 Ca 0.00 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.98 3hbl s TYR 118 Cb 0.00 -0.54 0.00 0.00 0.38 0.00 0.00 41.96 41.81 3hbl s TYR 118 CO 0.00 -0.03 0.09 0.41 -1.52 0.00 0.00 175.55 174.51 3hbl n GLY 119 N 1.03 0.14 0.00 5.49 0.00 -1.26 -4.87 105.19 105.72 3hbl n GLY 119 Ca -0.20 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3hbl n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbl n PHE 120 N -3.88 0.00 0.76 1.61 3.72 -1.26 -4.91 117.46 113.50 3hbl n PHE 120 Ca -0.07 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.41 3hbl n PHE 120 Cb 0.56 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.34 3hbl n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbl n LEU 121 N 0.00 2.22 0.27 4.37 4.77 -1.26 -4.41 117.00 122.96 3hbl n LEU 121 Ca 0.00 -1.06 0.10 0.00 -0.03 0.00 0.00 56.01 55.02 3hbl n LEU 121 Cb 0.00 -0.24 0.71 0.00 -2.33 0.00 0.00 43.42 41.56 3hbl n LEU 121 CO 0.00 0.53 1.08 0.77 -1.33 0.00 0.00 177.39 178.44 3hbl h SER 122 N 2.58 0.00 -0.01 -1.43 4.64 -1.87 -1.39 113.55 116.07 3hbl h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 122 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3hbl h SER 122 CO 0.00 0.00 -0.40 -0.62 -0.87 0.00 0.00 176.83 174.94 3hbl n GLU 123 N -4.37 1.64 -2.11 4.77 1.02 -1.26 -4.83 120.64 115.50 3hbl n GLU 123 Ca -0.03 -0.73 -0.42 0.00 -0.02 0.00 0.00 57.16 55.96 3hbl n GLU 123 Cb 0.09 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3hbl n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hbl s ASN 124 N -2.03 6.75 -0.02 1.62 3.84 -0.53 -4.94 114.94 119.64 3hbl s ASN 124 Ca 0.13 2.19 -0.24 0.00 0.21 0.00 0.00 52.86 55.15 3hbl s ASN 124 Cb 0.13 -2.55 -0.17 0.00 -0.55 0.00 0.00 41.25 38.11 3hbl s ASN 124 CO 0.45 -0.83 1.14 -0.08 -2.79 0.00 0.00 177.10 174.99 3hbl h GLU 125 N 8.57 -0.23 -0.68 0.43 4.57 -1.90 -3.08 114.58 122.26 3hbl h GLU 125 Ca -0.38 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.88 3hbl h GLU 125 Cb 1.18 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 3hbl h GLU 125 CO 0.93 0.17 0.37 1.96 -1.18 0.00 0.00 179.01 181.26 3hbl h GLN 126 N -0.71 0.64 -0.62 1.92 1.08 -1.98 -1.97 115.11 113.48 3hbl h GLN 126 Ca -0.02 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3hbl h GLN 126 Cb 0.50 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.75 3hbl h GLN 126 CO 0.04 0.42 0.39 0.35 -0.95 0.00 0.00 178.83 179.08 3hbl h PHE 127 N 0.66 0.73 -0.31 2.96 3.57 -1.92 -1.40 116.94 121.23 3hbl h PHE 127 Ca 0.32 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.70 3hbl h PHE 127 Cb 0.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3hbl h PHE 127 CO -0.09 0.43 -0.36 0.00 -2.23 0.00 0.00 178.31 176.06 3hbl h ALA 128 N 1.26 0.79 -0.35 2.41 0.00 -1.32 -1.84 119.26 120.20 3hbl h ALA 128 Ca 0.25 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3hbl h ALA 128 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hbl h ALA 128 CO -0.09 0.65 -0.34 -0.09 0.00 0.00 0.00 179.25 179.38 3hbl h ARG 129 N 0.59 0.80 -0.52 0.00 2.43 -1.11 -2.73 114.38 113.84 3hbl h ARG 129 Ca 0.06 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 3hbl h ARG 129 Cb 0.88 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3hbl h ARG 129 CO 0.08 1.01 -0.08 0.00 -1.51 0.00 0.00 179.97 179.47 3hbl h ARG 130 N 0.67 0.95 -0.58 0.20 2.47 -1.15 -2.12 114.38 114.81 3hbl h ARG 130 Ca 0.07 -0.32 0.10 0.00 -1.26 0.00 0.00 59.98 58.57 3hbl h ARG 130 Cb 0.89 -0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 29.05 3hbl h ARG 130 CO 0.08 0.98 0.15 0.00 0.56 0.00 0.00 179.97 181.74 3hbl h ALA 132 N 1.44 0.15 -0.01 0.00 0.00 -1.19 -0.65 119.26 119.00 3hbl h ALA 132 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hbl h ALA 132 Cb 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hbl h ALA 132 CO -0.36 -0.26 0.27 0.93 0.00 0.00 0.00 179.25 179.83 3hbl h GLU 133 N 0.02 0.00 -0.25 0.00 5.08 -1.10 0.12 114.58 118.45 3hbl h GLU 133 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hbl h GLU 133 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hbl h GLU 133 CO -0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 3hbl n GLU 134 N -2.95 2.78 -2.73 2.33 -0.58 -1.13 -4.97 120.64 113.40 3hbl n GLU 134 Ca -0.02 -2.65 -0.16 0.00 -0.42 0.00 0.00 57.16 53.92 3hbl n GLU 134 Cb 0.33 -1.69 0.02 0.00 -0.57 0.00 0.00 31.44 29.53 3hbl n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 135 N -0.40 -0.17 3.35 0.62 0.00 0.03 -5.02 105.19 103.60 3hbl n GLY 135 Ca 0.19 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3hbl n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 136 N -2.96 2.59 -0.48 -0.61 1.01 -0.26 -4.87 121.20 115.61 3hbl s ILE 136 Ca 0.19 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 3hbl s ILE 136 Cb -0.08 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3hbl s ILE 136 CO 0.23 0.56 0.86 -0.75 0.00 0.00 0.00 174.94 175.84 3hbl s LYS 137 N -0.13 3.40 -0.13 2.79 2.47 0.37 -3.40 119.74 125.11 3hbl s LYS 137 Ca -0.03 -0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 53.96 3hbl s LYS 137 Cb -0.14 -3.98 -0.04 0.00 -1.46 0.00 0.00 37.83 32.22 3hbl s LYS 137 CO 0.04 -1.26 1.52 0.12 0.16 0.00 0.00 175.35 175.93 3hbl s PHE 138 N 3.56 2.28 -0.86 4.03 2.19 -1.26 -0.53 117.98 127.39 3hbl s PHE 138 Ca 0.31 0.53 -0.24 0.00 0.33 0.00 0.00 56.93 57.86 3hbl s PHE 138 Cb -0.12 -3.81 0.06 0.00 -1.31 0.00 0.00 43.02 37.84 3hbl s PHE 138 CO 0.22 -2.96 1.27 0.42 1.83 0.00 0.00 175.22 175.99 3hbl s ILE 139 N 4.13 4.04 -3.87 3.12 1.01 0.14 -4.78 121.20 124.99 3hbl s ILE 139 Ca 0.67 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3hbl s ILE 139 Cb -0.28 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.28 3hbl s ILE 139 CO 0.25 -1.77 0.00 0.61 0.00 0.00 0.00 174.94 174.03 3hbl n GLY 140 N 5.94 -0.86 3.73 6.18 0.00 -1.26 -4.43 105.19 114.49 3hbl n GLY 140 Ca 0.16 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 3hbl n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 141 N -1.55 0.06 1.01 1.61 0.04 -1.24 -4.69 135.00 130.24 3hbl s PRO 141 Ca 0.00 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 3hbl s PRO 141 Cb 0.00 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 33.00 3hbl s PRO 141 CO 0.00 -2.88 1.08 -1.01 0.04 0.00 0.00 177.00 174.23 3hbl s HIS 142 N -3.27 1.95 0.12 0.56 3.76 -1.26 -4.92 115.29 112.23 3hbl s HIS 142 Ca 0.69 1.16 -0.16 0.00 -0.15 0.00 0.00 55.06 56.59 3hbl s HIS 142 Cb -0.11 -3.20 -0.02 0.00 1.11 0.00 0.00 32.58 30.36 3hbl s HIS 142 CO 0.55 -2.99 1.63 -0.07 -0.85 0.00 0.00 174.74 173.01 3hbl h LEU 143 N -1.98 0.55 -2.29 0.89 3.38 -1.96 -2.70 115.31 111.19 3hbl h LEU 143 Ca -0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 3hbl h LEU 143 Cb 1.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3hbl h LEU 143 CO 0.54 0.62 -0.04 1.05 0.09 0.00 0.00 178.44 180.70 3hbl h GLU 144 N 0.45 0.00 -0.41 1.13 9.09 -1.98 -1.27 114.58 121.59 3hbl h GLU 144 Ca 0.12 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.40 3hbl h GLU 144 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 3hbl h GLU 144 CO -0.00 0.04 -0.25 0.45 0.05 0.00 0.00 179.01 179.30 3hbl h HIS 145 N 0.00 1.03 -0.28 2.06 3.86 -1.85 -0.32 115.15 119.65 3hbl h HIS 145 Ca -0.00 -0.27 -0.19 0.00 -1.16 0.00 0.00 60.37 58.75 3hbl h HIS 145 Cb 0.20 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.44 3hbl h HIS 145 CO 0.00 1.06 -0.57 -0.07 0.86 0.00 0.00 177.93 179.21 3hbl h LEU 146 N 0.70 0.98 -0.76 2.43 3.38 -1.26 -0.06 115.31 120.71 3hbl h LEU 146 Ca 0.08 -0.53 0.08 0.00 0.09 0.00 0.00 57.88 57.60 3hbl h LEU 146 Cb 0.82 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3hbl h LEU 146 CO 0.07 1.34 0.43 -0.78 0.09 0.00 0.00 178.44 179.59 3hbl h ASP 147 N 0.66 0.63 0.55 -0.43 -0.00 -1.29 0.64 116.42 117.19 3hbl h ASP 147 Ca 0.01 0.04 -0.21 0.00 -0.00 0.00 0.00 57.03 56.87 3hbl h ASP 147 Cb 1.18 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 40.42 3hbl h ASP 147 CO 0.13 0.38 -0.93 -0.03 -0.00 0.00 0.00 179.24 178.79 3hbl h MET 148 N 0.76 0.24 -0.07 0.28 4.05 -0.61 -3.32 114.93 116.26 3hbl h MET 148 Ca 0.36 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3hbl h MET 148 Cb 0.28 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3hbl h MET 148 CO -0.22 1.01 0.00 1.19 0.23 0.00 0.00 176.91 179.12 3hbl n PHE 149 N -3.65 0.08 0.93 1.39 0.99 -0.08 -2.94 117.46 114.18 3hbl n PHE 149 Ca -0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3hbl n PHE 149 Cb 0.84 -0.01 0.01 0.00 -1.00 0.00 0.00 39.48 39.32 3hbl n PHE 149 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbl n GLY 150 N 0.40 1.68 3.43 1.37 0.00 0.21 -4.60 105.19 107.69 3hbl n GLY 150 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3hbl n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbl s ASP 151 N 0.20 -0.79 0.47 1.61 -1.08 -1.26 -4.70 116.67 111.13 3hbl s ASP 151 Ca 0.02 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.17 3hbl s ASP 151 Cb 0.02 1.86 1.12 0.00 -1.46 0.00 0.00 42.92 44.45 3hbl s ASP 151 CO 0.01 -0.15 2.07 0.11 0.52 0.00 0.00 175.17 177.72 3hbl h LYS 152 N 7.72 0.24 -0.02 4.34 1.57 -1.83 0.20 116.57 128.78 3hbl h LYS 152 Ca -0.17 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3hbl h LYS 152 Cb 1.12 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3hbl h LYS 152 CO 0.09 0.16 -0.01 0.28 -0.57 0.00 0.00 179.45 179.39 3hbl h VAL 153 N 0.24 1.31 -0.05 0.50 2.07 -1.96 -1.11 116.25 117.25 3hbl h VAL 153 Ca 0.14 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 3hbl h VAL 153 Cb 0.24 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3hbl h VAL 153 CO -0.03 0.25 -0.35 0.50 0.02 0.00 0.00 177.57 177.96 3hbl h LYS 154 N -0.34 0.10 0.03 1.57 3.64 -1.66 0.29 116.57 120.20 3hbl h LYS 154 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hbl h LYS 154 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3hbl h LYS 154 CO 0.00 0.45 -0.01 0.00 -2.27 0.00 0.00 179.45 177.62 3hbl h ALA 155 N 1.55 -0.04 -0.31 5.00 0.00 -0.51 -1.07 119.26 123.88 3hbl h ALA 155 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hbl h ALA 155 Cb 0.67 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3hbl h ALA 155 CO 0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 179.25 178.74 3hbl h ARG 156 N -0.13 0.51 -0.34 0.00 3.08 -0.47 -0.60 114.38 116.43 3hbl h ARG 156 Ca -0.00 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3hbl h ARG 156 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3hbl h ARG 156 CO 0.01 0.61 -0.17 1.15 -1.07 0.00 0.00 179.97 180.50 3hbl h THR 157 N 0.48 1.25 -0.18 2.04 2.02 -0.36 -1.31 112.91 116.85 3hbl h THR 157 Ca 0.09 -1.18 -0.14 0.00 0.77 0.00 0.00 66.41 65.96 3hbl h THR 157 Cb 0.45 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3hbl h THR 157 CO 0.02 0.39 -0.48 0.74 0.37 0.00 0.00 175.52 176.57 3hbl h THR 158 N 0.55 1.32 -0.56 3.16 2.02 -0.53 -2.52 112.91 116.35 3hbl h THR 158 Ca 0.09 -1.69 -0.11 0.00 0.77 0.00 0.00 66.41 65.48 3hbl h THR 158 Cb 0.60 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3hbl h THR 158 CO 0.04 0.52 -0.07 0.00 0.37 0.00 0.00 175.52 176.38 3hbl h ALA 159 N 1.12 0.80 -0.19 6.16 0.00 -0.80 -2.46 119.26 123.90 3hbl h ALA 159 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3hbl h ALA 159 Cb 0.97 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hbl h ALA 159 CO 0.09 0.67 -0.35 0.82 0.00 0.00 0.00 179.25 180.48 3hbl h ILE 160 N 0.93 1.29 -0.28 0.00 2.04 -1.15 -1.05 117.51 119.28 3hbl h ILE 160 Ca 0.15 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.47 3hbl h ILE 160 Cb 0.64 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3hbl h ILE 160 CO 0.04 0.44 -0.31 0.50 0.00 0.00 0.00 178.15 178.83 3hbl h LYS 161 N 0.34 0.60 -0.19 2.37 1.63 -1.38 -2.76 116.57 117.17 3hbl h LYS 161 Ca 0.04 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 3hbl h LYS 161 Cb 0.78 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 3hbl h LYS 161 CO 0.06 0.83 0.00 0.00 -3.45 0.00 0.00 179.45 176.89 3hbl n ALA 162 N -2.50 2.48 -3.48 5.00 0.00 -0.93 -4.93 120.51 116.15 3hbl n ALA 162 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 3hbl n ALA 162 Cb 0.46 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.96 3hbl n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hbl n ASP 163 N 0.06 -4.62 -4.59 0.00 2.03 -0.92 -4.72 116.55 103.80 3hbl n ASP 163 Ca 0.08 -0.80 -0.33 0.00 0.52 0.00 0.00 54.79 54.25 3hbl n ASP 163 Cb 0.18 -4.48 -0.11 0.00 -0.72 0.00 0.00 41.12 35.98 3hbl n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hbl s LEU 164 N -6.05 3.16 -0.00 -2.67 1.02 -0.44 -5.03 118.68 108.66 3hbl s LEU 164 Ca 0.31 -0.07 -0.30 0.00 0.02 0.00 0.00 54.13 54.10 3hbl s LEU 164 Cb -0.07 -1.74 -0.07 0.00 0.02 0.00 0.00 46.19 44.33 3hbl s LEU 164 CO 0.79 0.33 1.73 -2.16 0.02 0.00 0.00 176.35 177.06 3hbl s PRO 165 N -1.04 4.17 0.12 1.29 0.04 -1.26 -4.53 135.00 133.79 3hbl s PRO 165 Ca 0.14 2.33 0.10 0.00 0.04 0.00 0.00 61.00 63.61 3hbl s PRO 165 Cb -0.11 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 3hbl s PRO 165 CO 0.04 -0.85 -0.25 0.08 0.04 0.00 0.00 177.00 176.06 3hbl s VAL 166 N 3.85 2.09 0.21 -0.36 1.01 -1.26 -0.13 120.40 125.81 3hbl s VAL 166 Ca 0.77 -1.67 -0.32 0.00 0.00 0.00 0.00 61.98 60.76 3hbl s VAL 166 Cb -0.37 -1.86 -0.13 0.00 0.00 0.00 0.00 36.38 34.02 3hbl s VAL 166 CO 0.33 0.07 1.61 -0.38 0.00 0.00 0.00 175.10 176.72 3hbl n ILE 167 N 1.02 0.34 0.00 2.22 -0.00 -1.26 -4.92 119.36 116.76 3hbl n ILE 167 Ca -0.18 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.48 3hbl n ILE 167 Cb 0.53 -1.76 0.00 0.00 -0.00 0.00 0.00 39.64 38.41 3hbl n ILE 167 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3hbl n PRO 168 N 3.15 0.00 -1.46 0.38 -0.02 -1.26 -4.91 135.00 130.88 3hbl n PRO 168 Ca 0.14 0.00 0.19 0.00 -2.02 0.00 0.00 63.50 61.81 3hbl n PRO 168 Cb 0.33 -0.13 -0.06 0.00 -0.02 0.00 0.00 33.50 33.62 3hbl n PRO 168 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbl n GLY 169 N 0.00 -2.43 3.85 -1.23 0.00 -1.26 -4.93 105.19 99.20 3hbl n GLY 169 Ca 0.00 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 3hbl n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s THR 170 N -2.96 4.25 0.32 2.61 2.01 -0.86 -4.98 115.64 116.03 3hbl s THR 170 Ca 0.00 0.73 0.06 0.00 0.31 0.00 0.00 61.69 62.79 3hbl s THR 170 Cb 0.00 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.96 3hbl s THR 170 CO 0.00 -0.95 1.78 0.44 -0.69 0.00 0.00 174.62 175.20 3hbl h ASP 171 N -0.52 0.32 -0.65 3.53 3.32 -1.93 -3.48 116.42 117.01 3hbl h ASP 171 Ca -0.44 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3hbl h ASP 171 Cb 1.21 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hbl h ASP 171 CO 0.61 0.58 0.00 0.61 -1.72 0.00 0.00 179.24 179.32 3hbl n GLY 172 N -0.49 3.92 3.41 2.75 0.00 -1.26 -5.04 105.19 108.47 3hbl n GLY 172 Ca -0.01 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.30 3hbl n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 173 N -0.21 3.09 -0.17 1.61 0.05 -1.26 -4.71 135.00 133.41 3hbl s PRO 173 Ca 0.00 -1.16 -0.37 0.00 0.05 0.00 0.00 61.00 59.52 3hbl s PRO 173 Cb 0.00 -4.28 -0.17 0.00 0.05 0.00 0.00 34.50 30.10 3hbl s PRO 173 CO 0.00 -1.66 1.11 -0.89 0.05 0.00 0.00 177.00 175.62 3hbl n ILE 174 N 5.68 0.00 -3.59 0.56 -0.00 -1.04 -4.85 119.36 116.12 3hbl n ILE 174 Ca -0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.32 3hbl n ILE 174 Cb 0.44 -0.17 -0.09 0.00 -0.00 0.00 0.00 39.64 39.81 3hbl n ILE 174 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3hbl s LYS 175 N 1.03 4.07 2.62 0.38 1.02 -1.26 -4.56 119.74 123.03 3hbl s LYS 175 Ca 0.84 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.66 3hbl s LYS 175 Cb -1.18 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 3hbl s LYS 175 CO 0.58 -0.00 0.00 0.45 -0.92 0.00 0.00 175.35 175.46 3hbl n SER 176 N 4.47 -3.93 -0.11 2.83 2.88 -1.26 -4.37 113.62 114.13 3hbl n SER 176 Ca -0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.26 3hbl n SER 176 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3hbl n SER 176 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hbl n TYR 177 N -0.68 0.00 -0.13 0.66 4.19 -1.26 -4.38 117.16 115.57 3hbl n TYR 177 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 3hbl n TYR 177 Cb 0.00 -0.92 -0.00 0.00 0.49 0.00 0.00 39.34 38.90 3hbl n TYR 177 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 3hbl h GLU 178 N 0.00 0.55 0.00 2.98 4.57 -2.01 -2.01 114.58 118.65 3hbl h GLU 178 Ca -0.53 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.57 3hbl h GLU 178 Cb 1.92 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.40 3hbl h GLU 178 CO -0.05 0.45 -0.11 1.25 -1.18 0.00 0.00 179.01 179.36 3hbl h LEU 179 N 0.50 0.00 -0.05 1.64 6.46 -1.81 -2.54 115.31 119.52 3hbl h LEU 179 Ca 0.14 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3hbl h LEU 179 Cb 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3hbl h LEU 179 CO -0.02 0.11 -0.17 0.00 -0.62 0.00 0.00 178.44 177.74 3hbl h ALA 180 N 1.89 0.08 -0.87 1.25 0.00 -1.62 -3.21 119.26 116.79 3hbl h ALA 180 Ca -0.00 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.67 3hbl h ALA 180 Cb 0.24 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 3hbl h ALA 180 CO 0.01 0.02 -0.38 0.87 0.00 0.00 0.00 179.25 179.78 3hbl h LYS 181 N -0.35 -0.05 0.17 0.00 1.57 -0.94 -2.84 116.57 114.14 3hbl h LYS 181 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3hbl h LYS 181 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3hbl h LYS 181 CO 0.04 -0.04 -0.08 0.93 -0.57 0.00 0.00 179.45 179.73 3hbl h GLU 182 N -0.05 -0.22 -1.99 3.15 5.08 -1.70 -0.56 114.58 118.29 3hbl h GLU 182 Ca 0.30 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hbl h GLU 182 Cb 0.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3hbl h GLU 182 CO -0.89 0.20 0.00 0.34 -1.00 0.00 0.00 179.01 177.66 3hbl n PHE 183 N -4.95 0.00 -0.43 4.33 7.35 -1.12 -2.29 117.46 120.36 3hbl n PHE 183 Ca -0.08 -0.91 0.00 0.00 -0.76 0.00 0.00 57.45 55.70 3hbl n PHE 183 Cb 0.27 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.62 3hbl n PHE 183 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hbl n ALA 184 N 1.53 0.00 0.20 3.13 0.00 -1.09 -4.79 120.51 119.49 3hbl n ALA 184 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3hbl n ALA 184 Cb 0.46 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.05 3hbl n ALA 184 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hbl h GLU 185 N 0.00 0.00 -0.03 0.00 -0.00 -0.66 -3.34 114.58 110.55 3hbl h GLU 185 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3hbl h GLU 185 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3hbl h GLU 185 CO 0.00 0.05 0.00 0.39 -0.00 0.00 0.00 179.01 179.45 3hbl n GLU 186 N -3.08 0.32 -3.37 1.06 1.02 -1.21 -4.78 120.64 110.59 3hbl n GLU 186 Ca 0.03 -1.05 -0.26 0.00 -0.02 0.00 0.00 57.16 55.86 3hbl n GLU 186 Cb 0.55 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 3hbl n GLU 186 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hbl n ALA 187 N 0.44 3.75 -0.59 0.62 0.00 -1.25 -5.09 120.51 118.38 3hbl n ALA 187 Ca 0.05 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 48.99 3hbl n ALA 187 Cb 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3hbl n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 188 N 0.95 -0.89 1.77 0.00 0.00 -1.26 -4.83 105.19 100.93 3hbl n GLY 188 Ca 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3hbl n GLY 188 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbl n PHE 189 N -0.72 -1.15 -1.54 1.61 7.35 -1.26 -4.68 117.46 117.06 3hbl n PHE 189 Ca 0.00 0.20 -0.30 0.00 -0.76 0.00 0.00 57.45 56.59 3hbl n PHE 189 Cb 0.00 0.43 -0.07 0.00 0.35 0.00 0.00 39.48 40.19 3hbl n PHE 189 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3hbl n PRO 190 N -3.12 0.70 -4.23 -7.13 -0.02 -1.25 -4.49 135.00 115.46 3hbl n PRO 190 Ca 0.00 -0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 61.07 3hbl n PRO 190 Cb 0.05 -3.06 -0.12 0.00 -0.02 0.00 0.00 33.50 30.35 3hbl n PRO 190 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hbl s LEU 191 N 11.61 2.31 -0.27 2.45 1.43 0.14 -1.85 118.68 134.51 3hbl s LEU 191 Ca 1.05 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 3hbl s LEU 191 Cb -0.37 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.18 3hbl s LEU 191 CO 0.27 -0.03 0.03 -0.32 0.23 0.00 0.00 176.35 176.53 3hbl s MET 192 N -1.99 3.08 -0.19 1.70 -2.45 0.13 0.03 119.30 119.62 3hbl s MET 192 Ca 0.04 -0.85 -0.14 0.00 -1.25 0.00 0.00 55.69 53.49 3hbl s MET 192 Cb -0.09 -3.23 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 3hbl s MET 192 CO 0.03 -0.39 0.33 -1.50 1.05 0.00 0.00 175.02 174.54 3hbl s ILE 193 N 1.46 5.26 0.08 10.11 -1.16 -0.70 -0.88 121.20 135.37 3hbl s ILE 193 Ca 0.02 0.58 -0.10 0.00 -0.51 0.00 0.00 60.65 60.64 3hbl s ILE 193 Cb -0.17 -3.66 0.01 0.00 0.61 0.00 0.00 42.46 39.25 3hbl s ILE 193 CO 0.00 0.32 0.22 -1.59 -2.81 0.00 0.00 174.94 171.09 3hbl s LYS 194 N 0.91 0.83 0.54 3.50 -2.85 0.36 -1.44 119.74 121.59 3hbl s LYS 194 Ca 0.17 -0.82 -0.17 0.00 -1.00 0.00 0.00 55.97 54.14 3hbl s LYS 194 Cb -0.14 0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 3hbl s LYS 194 CO 0.06 -0.27 1.02 0.00 0.10 0.00 0.00 175.35 176.26 3hbl s ALA 195 N -3.47 2.89 -0.27 0.59 0.00 -0.80 -0.76 121.76 119.93 3hbl s ALA 195 Ca 0.02 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 3hbl s ALA 195 Cb 0.03 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 3hbl s ALA 195 CO -0.09 -0.47 0.65 0.99 0.00 0.00 0.00 175.76 176.85 3hbl s THR 196 N -2.39 4.94 -0.13 0.00 2.01 -0.84 -4.43 115.64 114.79 3hbl s THR 196 Ca 0.63 1.07 -0.10 0.00 0.31 0.00 0.00 61.69 63.60 3hbl s THR 196 Cb -0.14 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.43 3hbl s THR 196 CO 0.30 -0.06 0.19 -1.54 -0.69 0.00 0.00 174.62 172.82 3hbl n SER 197 N 5.83 -2.48 -0.97 3.53 3.41 -1.26 -4.67 113.62 117.02 3hbl n SER 197 Ca 0.00 1.44 0.00 0.00 -0.26 0.00 0.00 58.87 60.05 3hbl n SER 197 Cb 0.49 -5.04 0.00 0.00 -0.26 0.00 0.00 64.21 59.40 3hbl n SER 197 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbl n GLY 198 N 1.81 1.51 0.00 5.00 0.00 -1.26 -4.97 105.19 107.27 3hbl n GLY 198 Ca -0.32 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3hbl n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 199 N 5.00 -1.48 0.00 -0.02 0.00 -1.26 -4.99 105.19 102.44 3hbl n GLY 199 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3hbl n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 200 N 0.00 -0.52 2.45 -0.02 0.00 -1.26 -4.81 105.19 101.04 3hbl n GLY 200 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hbl n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 201 N 0.00 0.79 3.86 -0.02 0.00 -1.26 -3.73 105.19 104.83 3hbl n GLY 201 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hbl n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s LYS 202 N -0.05 3.94 -0.02 1.61 -0.14 -1.26 -4.20 119.74 119.61 3hbl s LYS 202 Ca 0.00 0.63 -0.00 0.00 -1.36 0.00 0.00 55.97 55.24 3hbl s LYS 202 Cb 0.00 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 3hbl s LYS 202 CO 0.00 0.07 0.02 0.41 -0.76 0.00 0.00 175.35 175.09 3hbl n GLY 203 N -0.72 0.93 2.87 -3.33 0.00 -1.26 -4.78 105.19 98.89 3hbl n GLY 203 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 3hbl n GLY 203 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hbl s MET 204 N -5.02 0.01 0.01 1.61 -1.94 -1.26 -1.90 119.30 110.81 3hbl s MET 204 Ca 0.01 0.04 -0.05 0.00 -1.71 0.00 0.00 55.69 53.98 3hbl s MET 204 Cb -0.00 -0.02 -0.00 0.00 2.01 0.00 0.00 34.83 36.81 3hbl s MET 204 CO 0.01 -0.02 0.09 1.03 -0.01 0.00 0.00 175.02 176.12 3hbl s ARG 205 N 0.13 0.42 -0.14 2.03 0.52 -0.52 -5.01 118.95 116.37 3hbl s ARG 205 Ca -0.01 -0.43 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 3hbl s ARG 205 Cb -0.02 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 3hbl s ARG 205 CO -0.00 -0.09 0.11 0.96 0.02 0.00 0.00 175.30 176.30 3hbl s ILE 206 N -1.33 5.26 -0.15 1.52 -4.36 -1.26 -1.72 121.20 119.16 3hbl s ILE 206 Ca -0.14 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 3hbl s ILE 206 Cb -0.08 -3.32 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 3hbl s ILE 206 CO 0.01 0.55 -0.14 -0.69 0.24 0.00 0.00 174.94 174.91 3hbl s VAL 207 N -0.48 2.85 0.00 8.37 1.01 0.10 -5.00 120.40 127.25 3hbl s VAL 207 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3hbl s VAL 207 Cb -0.12 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3hbl s VAL 207 CO 0.02 0.52 0.00 0.54 0.00 0.00 0.00 175.10 176.17 3hbl n ARG 208 N 3.84 0.70 -4.24 2.72 1.74 -1.26 -0.68 116.66 119.47 3hbl n ARG 208 Ca -0.19 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 3hbl n ARG 208 Cb 0.52 -0.89 -0.09 0.00 -1.02 0.00 0.00 32.46 30.98 3hbl n ARG 208 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hbl s GLU 209 N -1.77 1.41 0.23 5.56 2.12 -1.26 -4.46 118.70 120.53 3hbl s GLU 209 Ca 0.00 -1.78 -0.30 0.00 0.36 0.00 0.00 54.97 53.25 3hbl s GLU 209 Cb 0.00 0.25 -0.09 0.00 0.26 0.00 0.00 34.13 34.55 3hbl s GLU 209 CO 0.00 -0.48 1.36 -2.00 -0.54 0.00 0.00 175.26 173.60 3hbl s GLU 210 N -3.90 4.34 0.00 4.30 2.12 -1.26 -3.07 118.70 121.24 3hbl s GLU 210 Ca 0.39 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.88 3hbl s GLU 210 Cb 0.05 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.29 3hbl s GLU 210 CO 0.18 -0.31 0.00 -1.13 -0.54 0.00 0.00 175.26 173.46 3hbl n SER 211 N 2.38 0.00 0.23 -1.70 3.41 -1.26 -4.80 113.62 111.88 3hbl n SER 211 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 3hbl n SER 211 Cb 0.42 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.85 3hbl n SER 211 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3hbl h GLU 212 N 1.45 0.00 -0.53 4.33 5.08 -1.99 -3.22 114.58 119.69 3hbl h GLU 212 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hbl h GLU 212 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3hbl h GLU 212 CO 0.00 0.16 0.35 1.25 -1.00 0.00 0.00 179.01 179.77 3hbl h LEU 213 N 0.00 0.59 -0.44 1.33 5.85 -1.87 -2.22 115.31 118.55 3hbl h LEU 213 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hbl h LEU 213 Cb 0.73 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3hbl h LEU 213 CO 0.02 0.42 0.28 -0.08 -0.34 0.00 0.00 178.44 178.75 3hbl h GLU 214 N 0.70 0.58 -0.38 1.25 4.81 -1.94 -2.92 114.58 116.68 3hbl h GLU 214 Ca 0.20 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3hbl h GLU 214 Cb -0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3hbl h GLU 214 CO -0.06 0.40 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.15 3hbl h ASP 215 N 0.59 0.68 -0.22 1.04 3.45 -1.69 -3.35 116.42 116.91 3hbl h ASP 215 Ca 0.16 -0.33 0.06 0.00 0.43 0.00 0.00 57.03 57.35 3hbl h ASP 215 Cb -0.05 -0.18 -0.07 0.00 -0.56 0.00 0.00 39.33 38.47 3hbl h ASP 215 CO -0.03 0.84 -0.24 0.00 -1.57 0.00 0.00 179.24 178.24 3hbl h ALA 216 N 0.86 -0.15 -0.29 3.45 0.00 -1.20 0.12 119.26 122.05 3hbl h ALA 216 Ca 0.10 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3hbl h ALA 216 Cb 0.51 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3hbl h ALA 216 CO 0.03 -0.67 -0.08 0.35 0.00 0.00 0.00 179.25 178.87 3hbl h PHE 217 N -0.26 -0.18 -0.05 0.00 3.57 -1.68 -0.70 116.94 117.64 3hbl h PHE 217 Ca 0.13 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3hbl h PHE 217 Cb 0.46 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3hbl h PHE 217 CO -0.39 -0.14 -0.18 0.45 -2.23 0.00 0.00 178.31 175.82 3hbl h HIS 218 N -0.01 0.29 -0.95 0.41 3.86 -1.62 -0.38 115.15 116.73 3hbl h HIS 218 Ca 0.14 -0.12 0.14 0.00 -1.16 0.00 0.00 60.37 59.38 3hbl h HIS 218 Cb 0.23 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.57 3hbl h HIS 218 CO -0.29 0.80 0.60 0.00 0.86 0.00 0.00 177.93 179.91 3hbl h ARG 219 N -0.31 0.79 0.00 2.45 2.47 -0.67 -2.25 114.38 116.85 3hbl h ARG 219 Ca -0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3hbl h ARG 219 Cb 0.81 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 3hbl h ARG 219 CO 0.04 0.52 -0.99 0.00 0.56 0.00 0.00 179.97 180.10 3hbl n ALA 220 N -2.39 3.44 -0.03 0.04 0.00 -0.28 -3.48 120.51 117.81 3hbl n ALA 220 Ca 0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 3hbl n ALA 220 Cb 0.44 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 3hbl n ALA 220 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hbl h LYS 221 N 0.00 0.17 -0.19 0.00 3.64 -0.46 -2.58 116.57 117.16 3hbl h LYS 221 Ca 0.00 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 59.03 3hbl h LYS 221 Cb 0.71 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3hbl h LYS 221 CO 0.00 0.84 -0.66 0.66 -2.27 0.00 0.00 179.45 178.02 3hbl h SER 222 N -0.45 0.83 -0.37 4.20 4.64 -1.69 0.12 113.55 120.84 3hbl h SER 222 Ca -0.02 -0.50 0.02 0.00 -0.47 0.00 0.00 61.79 60.82 3hbl h SER 222 Cb 0.90 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3hbl h SER 222 CO 0.04 1.28 0.25 -0.08 -0.87 0.00 0.00 176.83 177.44 3hbl h GLU 223 N 0.53 0.44 0.10 4.77 4.81 -1.68 0.21 114.58 123.76 3hbl h GLU 223 Ca -0.02 -0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 3hbl h GLU 223 Cb 1.26 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.55 3hbl h GLU 223 CO 0.13 0.29 -1.18 0.00 -0.73 0.00 0.00 179.01 177.52 3hbl h ALA 224 N 1.78 0.14 0.81 2.92 0.00 -1.23 -3.03 119.26 120.65 3hbl h ALA 224 Ca 0.14 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 3hbl h ALA 224 Cb 0.02 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hbl h ALA 224 CO -0.03 0.89 -0.39 1.49 0.00 0.00 0.00 179.25 181.21 3hbl h GLU 225 N 0.13 -1.04 -0.05 0.00 4.57 0.03 -1.29 114.58 116.93 3hbl h GLU 225 Ca -0.13 0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3hbl h GLU 225 Cb 1.87 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 30.70 3hbl h GLU 225 CO 0.20 -0.69 0.15 0.87 -1.18 0.00 0.00 179.01 178.36 3hbl h LYS 226 N -1.18 0.00 0.00 1.92 1.57 -0.75 -3.21 116.57 114.92 3hbl h LYS 226 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3hbl h LYS 226 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3hbl h LYS 226 CO 0.18 0.00 -0.13 1.03 -0.57 0.00 0.00 179.45 179.96 3hbl h SER 227 N 0.00 0.00 -1.78 0.86 0.87 -1.41 -3.50 113.55 108.59 3hbl h SER 227 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hbl h SER 227 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3hbl h SER 227 CO -0.00 0.25 0.00 0.49 -0.53 0.00 0.00 176.83 177.03 3hbl n PHE 228 N -3.07 -0.51 0.04 2.24 3.01 -0.50 -5.03 117.46 113.64 3hbl n PHE 228 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 3hbl n PHE 228 Cb 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 3hbl n PHE 228 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3hbl h GLY 229 N 0.00 -0.02 0.00 1.37 0.00 -1.83 -3.45 103.07 99.13 3hbl h GLY 229 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3hbl h GLY 229 CO 0.00 -0.01 0.00 1.16 0.00 0.00 0.00 176.54 177.69 3hbl n ASN 230 N -5.05 0.61 -1.48 0.19 6.94 -1.26 -5.02 115.26 110.18 3hbl n ASN 230 Ca -0.07 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.51 3hbl n ASN 230 Cb 0.08 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.51 3hbl n ASN 230 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3hbl n SER 231 N 0.00 0.81 -4.61 0.53 3.41 -1.26 -3.23 113.62 109.27 3hbl n SER 231 Ca 0.00 -2.00 -0.43 0.00 -0.26 0.00 0.00 58.87 56.18 3hbl n SER 231 Cb 0.00 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 3hbl n SER 231 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hbl s GLU 232 N -0.08 3.50 0.04 4.33 2.02 -1.26 -4.91 118.70 122.34 3hbl s GLU 232 Ca 0.31 1.41 0.06 0.00 0.02 0.00 0.00 54.97 56.77 3hbl s GLU 232 Cb 0.35 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.42 3hbl s GLU 232 CO -0.15 -1.66 -0.15 0.14 0.02 0.00 0.00 175.26 173.46 3hbl s VAL 233 N 6.19 3.04 0.45 2.63 -7.23 -1.26 -1.99 120.40 122.24 3hbl s VAL 233 Ca 0.75 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 3hbl s VAL 233 Cb -0.22 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 3hbl s VAL 233 CO 0.33 0.34 0.09 -0.72 -0.31 0.00 0.00 175.10 174.82 3hbl s TYR 234 N -0.96 1.80 -0.02 2.82 -0.85 0.06 -2.50 117.35 117.70 3hbl s TYR 234 Ca 0.16 -1.19 0.01 0.00 -0.52 0.00 0.00 57.07 55.53 3hbl s TYR 234 Cb -0.11 -1.31 0.01 0.00 0.38 0.00 0.00 41.96 40.93 3hbl s TYR 234 CO 0.06 -0.13 -0.04 -1.50 -1.52 0.00 0.00 175.55 172.42 3hbl s ILE 235 N -3.08 0.39 0.21 -3.49 2.07 -1.26 -0.49 121.20 115.54 3hbl s ILE 235 Ca 0.16 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3hbl s ILE 235 Cb 0.02 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 3hbl s ILE 235 CO 0.10 0.14 0.13 -1.83 -1.91 0.00 0.00 174.94 171.57 3hbl s GLU 236 N 0.26 1.22 0.17 3.50 -1.05 -0.06 -2.03 118.70 120.70 3hbl s GLU 236 Ca -0.03 -1.64 -0.32 0.00 -0.15 0.00 0.00 54.97 52.83 3hbl s GLU 236 Cb -0.06 0.24 -0.11 0.00 -0.44 0.00 0.00 34.13 33.76 3hbl s GLU 236 CO -0.00 -0.39 1.78 -2.13 0.95 0.00 0.00 175.26 175.47 3hbl n ARG 237 N -0.29 2.78 -2.37 -4.83 3.00 -1.26 0.20 116.66 113.88 3hbl n ARG 237 Ca 0.02 1.01 -0.42 0.00 -0.00 0.00 0.00 57.85 58.45 3hbl n ARG 237 Cb 0.66 -2.88 -0.03 0.00 0.00 0.00 0.00 32.46 30.22 3hbl n ARG 237 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 3hbl s TYR 238 N 1.94 3.07 -0.29 -0.14 5.04 -0.77 -4.52 117.35 121.68 3hbl s TYR 238 Ca 0.79 1.07 -0.10 0.00 -2.44 0.00 0.00 57.07 56.39 3hbl s TYR 238 Cb -0.50 -3.51 -0.03 0.00 0.35 0.00 0.00 41.96 38.28 3hbl s TYR 238 CO 0.35 -1.72 0.15 0.42 -1.34 0.00 0.00 175.55 173.40 3hbl s ILE 239 N 2.27 4.79 0.50 3.14 1.01 -1.26 -4.81 121.20 126.84 3hbl s ILE 239 Ca 0.59 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.90 3hbl s ILE 239 Cb -0.27 -3.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.78 3hbl s ILE 239 CO 0.24 0.20 1.01 -0.62 0.00 0.00 0.00 174.94 175.76 3hbl s ASP 240 N 1.67 6.43 -1.34 3.58 2.15 -1.26 -4.24 116.67 123.67 3hbl s ASP 240 Ca 0.06 1.77 -0.06 0.00 0.43 0.00 0.00 52.55 54.75 3hbl s ASP 240 Cb -0.16 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3hbl s ASP 240 CO 0.07 -0.72 0.11 0.59 -0.17 0.00 0.00 175.17 175.06 3hbl n ASN 241 N -1.24 0.01 -4.94 -0.34 3.02 -1.26 -4.94 115.26 105.57 3hbl n ASN 241 Ca 0.08 -1.16 -0.24 0.00 -0.03 0.00 0.00 54.58 53.23 3hbl n ASN 241 Cb 0.53 -1.43 0.01 0.00 -0.61 0.00 0.00 39.78 38.28 3hbl n ASN 241 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hbl s PRO 242 N -7.00 3.21 0.12 3.52 0.04 -1.26 -4.80 135.00 128.83 3hbl s PRO 242 Ca 0.08 -0.31 -0.05 0.00 0.04 0.00 0.00 61.00 60.77 3hbl s PRO 242 Cb -0.05 -2.53 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 3hbl s PRO 242 CO 0.89 -0.21 0.35 0.15 0.04 0.00 0.00 177.00 178.22 3hbl s LYS 243 N -4.57 3.60 -0.28 4.56 1.02 0.35 -0.94 119.74 123.47 3hbl s LYS 243 Ca 0.47 -0.12 -0.10 0.00 0.02 0.00 0.00 55.97 56.24 3hbl s LYS 243 Cb -0.10 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3hbl s LYS 243 CO 0.39 0.50 0.16 -1.58 -0.92 0.00 0.00 175.35 173.90 3hbl s HIS 244 N -1.61 3.18 -0.07 3.18 5.65 -1.26 -0.18 115.29 124.19 3hbl s HIS 244 Ca 0.39 -0.17 0.04 0.00 0.25 0.00 0.00 55.06 55.58 3hbl s HIS 244 Cb -0.12 -2.35 -0.00 0.00 -1.18 0.00 0.00 32.58 28.92 3hbl s HIS 244 CO 0.24 -0.28 -0.20 0.42 -0.65 0.00 0.00 174.74 174.27 3hbl s ILE 245 N 1.70 1.70 0.09 0.89 -1.09 -0.22 -1.71 121.20 122.56 3hbl s ILE 245 Ca 0.06 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 3hbl s ILE 245 Cb -0.16 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 3hbl s ILE 245 CO 0.08 0.48 -0.17 -1.83 -1.23 0.00 0.00 174.94 172.27 3hbl s GLU 246 N 0.18 0.96 -0.15 2.79 -1.05 -0.84 0.79 118.70 121.38 3hbl s GLU 246 Ca -0.10 -1.06 0.01 0.00 -0.15 0.00 0.00 54.97 53.68 3hbl s GLU 246 Cb -0.15 -1.07 0.01 0.00 -0.44 0.00 0.00 34.13 32.48 3hbl s GLU 246 CO 0.05 0.24 -0.19 0.08 0.95 0.00 0.00 175.26 176.39 3hbl s VAL 247 N -1.27 2.29 0.25 1.83 1.01 0.80 -1.03 120.40 124.29 3hbl s VAL 247 Ca 0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3hbl s VAL 247 Cb -0.10 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 3hbl s VAL 247 CO 0.03 0.53 1.05 -1.58 0.00 0.00 0.00 175.10 175.14 3hbl s GLN 248 N 0.87 4.70 -0.00 2.72 2.00 -0.90 -1.42 119.66 127.63 3hbl s GLN 248 Ca -0.05 1.70 0.02 0.00 -2.00 0.00 0.00 55.36 55.03 3hbl s GLN 248 Cb -0.15 -3.23 -0.01 0.00 0.80 0.00 0.00 33.01 30.43 3hbl s GLN 248 CO -0.02 0.28 -0.06 0.08 -0.50 0.00 0.00 175.29 175.07 3hbl s VAL 249 N -1.05 0.49 -0.06 1.34 1.01 -0.29 -0.71 120.40 121.14 3hbl s VAL 249 Ca 0.44 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3hbl s VAL 249 Cb -0.30 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3hbl s VAL 249 CO 0.38 0.12 -0.07 -0.63 0.00 0.00 0.00 175.10 174.89 3hbl s ILE 250 N -0.20 0.78 0.17 2.22 1.09 -0.20 -1.69 121.20 123.37 3hbl s ILE 250 Ca 0.02 -0.23 0.09 0.00 -1.10 0.00 0.00 60.65 59.42 3hbl s ILE 250 Cb -0.03 -0.78 -0.04 0.00 -1.06 0.00 0.00 42.46 40.55 3hbl s ILE 250 CO -0.00 0.29 -0.10 -0.83 -0.10 0.00 0.00 174.94 174.20 3hbl s GLY 251 N 1.07 1.73 0.26 6.18 0.00 -0.59 -1.21 107.32 114.76 3hbl s GLY 251 Ca -0.08 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.25 3hbl s GLY 251 CO -0.01 -1.45 0.36 2.09 0.00 0.00 0.00 173.10 174.10 3hbl n ASP 252 N 0.18 0.91 -0.15 1.64 3.85 -0.45 -0.39 116.55 122.14 3hbl n ASP 252 Ca -0.11 -1.67 0.15 0.00 -0.71 0.00 0.00 54.79 52.44 3hbl n ASP 252 Cb 0.55 -0.19 0.70 0.00 -1.35 0.00 0.00 41.12 40.82 3hbl n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hbl n GLU 253 N -1.57 0.97 -0.42 0.11 -0.58 -1.26 -4.05 120.64 113.84 3hbl n GLU 253 Ca 0.07 -0.30 0.06 0.00 -0.42 0.00 0.00 57.16 56.57 3hbl n GLU 253 Cb 0.26 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 29.85 3hbl n GLU 253 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hbl n HIS 254 N -0.75 0.61 -2.29 -0.32 8.25 -1.26 -4.97 115.22 114.49 3hbl n HIS 254 Ca 0.18 -1.11 -0.02 0.00 -0.26 0.00 0.00 57.72 56.51 3hbl n HIS 254 Cb 0.24 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3hbl n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbl n GLY 255 N -0.97 0.57 3.16 -1.41 0.00 -1.26 -5.06 105.19 100.22 3hbl n GLY 255 Ca 0.22 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3hbl n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 256 N -2.98 2.94 -0.07 1.61 -0.87 -1.26 -5.02 114.94 109.29 3hbl s ASN 256 Ca 0.02 -0.55 0.02 0.00 -1.57 0.00 0.00 52.86 50.78 3hbl s ASN 256 Cb -0.01 -1.35 0.01 0.00 -0.02 0.00 0.00 41.25 39.88 3hbl s ASN 256 CO 0.02 0.09 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.87 3hbl s ILE 257 N 0.73 1.23 0.18 0.60 1.09 -1.26 -1.34 121.20 122.43 3hbl s ILE 257 Ca -0.10 -0.54 0.07 0.00 -1.10 0.00 0.00 60.65 58.98 3hbl s ILE 257 Cb -0.16 -1.12 -0.04 0.00 -1.06 0.00 0.00 42.46 40.08 3hbl s ILE 257 CO 0.01 0.38 -0.15 0.68 -0.10 0.00 0.00 174.94 175.76 3hbl s VAL 258 N 0.61 1.66 0.15 2.92 -7.23 -0.35 -5.00 120.40 113.15 3hbl s VAL 258 Ca -0.15 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.01 3hbl s VAL 258 Cb -0.16 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 3hbl s VAL 258 CO 0.04 -0.51 0.10 -1.38 -0.31 0.00 0.00 175.10 173.04 3hbl s HIS 259 N -2.66 3.10 -0.51 2.82 -3.43 -1.26 -1.04 115.29 112.32 3hbl s HIS 259 Ca 0.18 -0.02 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 3hbl s HIS 259 Cb -0.02 -1.51 0.42 0.00 -1.43 0.00 0.00 32.58 30.04 3hbl s HIS 259 CO 0.06 0.52 1.40 1.28 -2.00 0.00 0.00 174.74 176.00 3hbl n LEU 260 N -0.16 5.63 0.00 5.38 4.77 0.11 -4.95 117.00 127.78 3hbl n LEU 260 Ca -0.09 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 50.96 3hbl n LEU 260 Cb 0.54 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3hbl n LEU 260 CO 0.43 2.04 0.00 0.49 -1.33 0.00 0.00 177.39 179.01 3hbl n PHE 261 N -0.59 -1.07 -4.37 -1.77 3.01 -1.26 -4.64 117.46 106.76 3hbl n PHE 261 Ca 0.46 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.65 3hbl n PHE 261 Cb 0.65 0.20 -0.10 0.00 -0.01 0.00 0.00 39.48 40.21 3hbl n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hbl s GLU 262 N 0.00 1.78 0.04 -1.08 4.04 -1.26 -2.11 118.70 120.11 3hbl s GLU 262 Ca 0.00 -1.45 0.07 0.00 0.04 0.00 0.00 54.97 53.63 3hbl s GLU 262 Cb 0.00 -1.97 -0.03 0.00 0.02 0.00 0.00 34.13 32.15 3hbl s GLU 262 CO 0.00 0.40 -0.19 1.03 -1.84 0.00 0.00 175.26 174.66 3hbl s ARG 263 N -2.87 2.05 -0.32 -4.83 0.52 -0.20 -4.13 118.95 109.17 3hbl s ARG 263 Ca 0.24 -0.99 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 3hbl s ARG 263 Cb -0.08 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3hbl s ARG 263 CO 0.13 0.54 0.16 0.34 0.02 0.00 0.00 175.30 176.49 3hbl s ASP 264 N -1.38 5.55 -0.35 0.23 3.68 0.98 -1.98 116.67 123.40 3hbl s ASP 264 Ca 0.14 -0.65 0.08 0.00 2.13 0.00 0.00 52.55 54.24 3hbl s ASP 264 Cb -0.10 -1.99 0.45 0.00 -1.45 0.00 0.00 42.92 39.82 3hbl s ASP 264 CO 0.05 -0.24 1.14 0.00 0.13 0.00 0.00 175.17 176.25 3hbl h SER 266 N 2.41 0.00 -2.78 0.00 0.02 -1.79 -3.42 113.55 107.99 3hbl h SER 266 Ca 0.29 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.63 3hbl h SER 266 Cb 1.25 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.67 3hbl h SER 266 CO 0.75 0.01 0.73 -0.69 -1.14 0.00 0.00 176.83 176.50 3hbl s VAL 267 N -3.20 4.15 0.01 2.27 1.01 -1.26 -3.21 120.40 120.17 3hbl s VAL 267 Ca 0.07 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3hbl s VAL 267 Cb 0.08 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 3hbl s VAL 267 CO 0.68 -1.46 -0.06 -1.10 0.00 0.00 0.00 175.10 173.15 3hbl s GLN 268 N 4.58 0.46 -0.07 2.72 -0.21 -1.26 -1.05 119.66 124.83 3hbl s GLN 268 Ca 0.30 -0.38 -0.03 0.00 0.02 0.00 0.00 55.36 55.26 3hbl s GLN 268 Cb -0.12 -0.38 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 3hbl s GLN 268 CO 0.15 0.09 0.17 0.07 -2.12 0.00 0.00 175.29 173.65 3hbl h ARG 269 N 5.51 -0.12 0.00 2.91 0.11 -1.68 -3.41 114.38 117.69 3hbl h ARG 269 Ca -0.31 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.78 3hbl h ARG 269 Cb 1.20 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3hbl h ARG 269 CO 0.47 -0.08 0.00 0.54 0.10 0.00 0.00 179.97 181.00 3hbl n ARG 270 N -4.32 0.00 0.00 0.08 5.12 -1.26 -4.84 116.66 111.44 3hbl n ARG 270 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3hbl n ARG 270 Cb 0.05 -0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 3hbl n ARG 270 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hbl n HIS 271 N -2.24 0.00 -3.29 -1.55 8.25 -1.26 -5.09 115.22 110.04 3hbl n HIS 271 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3hbl n HIS 271 Cb 0.00 0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.07 3hbl n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3hbl s GLN 272 N 0.00 4.23 0.36 -0.41 0.74 -1.24 -4.33 119.66 119.01 3hbl s GLN 272 Ca 0.00 0.64 -0.28 0.00 0.05 0.00 0.00 55.36 55.77 3hbl s GLN 272 Cb 0.00 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.70 3hbl s GLN 272 CO 0.00 0.46 1.38 0.15 -0.55 0.00 0.00 175.29 176.73 3hbl s LYS 273 N -0.45 4.19 0.08 1.67 1.02 -1.26 -1.81 119.74 123.18 3hbl s LYS 273 Ca 0.29 2.35 -0.01 0.00 0.02 0.00 0.00 55.97 58.62 3hbl s LYS 273 Cb -0.18 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3hbl s LYS 273 CO 0.16 -0.38 -0.01 0.28 -0.92 0.00 0.00 175.35 174.48 3hbl n VAL 274 N 0.55 1.13 -4.68 3.17 0.31 -0.22 -4.83 118.33 113.75 3hbl n VAL 274 Ca 0.01 0.36 -0.28 0.00 -0.01 0.00 0.00 64.34 64.43 3hbl n VAL 274 Cb 0.41 -1.56 -0.17 0.00 -0.91 0.00 0.00 33.84 31.61 3hbl n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hbl s VAL 275 N -1.93 1.48 0.03 2.52 1.01 -1.16 -4.17 120.40 118.18 3hbl s VAL 275 Ca -0.01 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3hbl s VAL 275 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3hbl s VAL 275 CO 0.01 0.43 -0.23 -1.61 0.00 0.00 0.00 175.10 173.70 3hbl s GLU 276 N 0.71 1.98 -0.01 2.72 8.01 -0.89 -4.03 118.70 127.18 3hbl s GLU 276 Ca -0.13 -1.02 0.06 0.00 0.01 0.00 0.00 54.97 53.89 3hbl s GLU 276 Cb -0.16 -2.07 -0.01 0.00 -4.31 0.00 0.00 34.13 27.57 3hbl s GLU 276 CO 0.03 0.54 -0.18 0.08 0.01 0.00 0.00 175.26 175.74 3hbl s VAL 277 N -0.79 1.42 -0.02 2.63 1.01 0.37 -1.50 120.40 123.52 3hbl s VAL 277 Ca 0.12 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3hbl s VAL 277 Cb -0.10 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3hbl s VAL 277 CO 0.02 0.39 0.03 0.00 0.00 0.00 0.00 175.10 175.54 3hbl s ALA 278 N -0.44 0.02 1.02 5.51 0.00 -0.47 0.33 121.76 127.72 3hbl s ALA 278 Ca 0.07 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 3hbl s ALA 278 Cb -0.07 -0.17 0.22 0.00 0.00 0.00 0.00 23.12 23.10 3hbl s ALA 278 CO -0.01 -0.07 1.26 -1.25 0.00 0.00 0.00 175.76 175.69 3hbl s PRO 279 N 0.65 0.23 0.28 0.00 0.04 -1.26 -0.52 135.00 134.42 3hbl s PRO 279 Ca -0.05 -0.29 -0.29 0.00 0.04 0.00 0.00 61.00 60.41 3hbl s PRO 279 Cb -0.08 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 3hbl s PRO 279 CO -0.02 -2.71 1.35 0.45 0.04 0.00 0.00 177.00 176.11 3hbl s SER 280 N -4.61 6.77 -0.18 6.66 0.15 -1.26 -4.82 113.70 116.41 3hbl s SER 280 Ca 0.72 2.62 -0.15 0.00 0.70 0.00 0.00 55.95 59.84 3hbl s SER 280 Cb -0.06 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 3hbl s SER 280 CO 0.54 -0.58 0.37 -0.69 1.20 0.00 0.00 173.24 174.07 3hbl s VAL 281 N -0.52 5.24 0.00 4.45 1.01 -1.26 -4.57 120.40 124.75 3hbl s VAL 281 Ca 0.54 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.19 3hbl s VAL 281 Cb -0.40 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3hbl s VAL 281 CO 0.47 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.48 3hbl n GLY 282 N 3.71 3.24 3.59 4.51 0.00 -1.26 -4.64 105.19 114.33 3hbl n GLY 282 Ca -0.09 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 3hbl n GLY 282 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 283 N 0.00 1.75 -4.75 0.99 4.77 -1.26 -4.97 117.00 113.53 3hbl n LEU 283 Ca 0.00 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 3hbl n LEU 283 Cb 0.00 -1.27 0.04 0.00 -2.33 0.00 0.00 43.42 39.86 3hbl n LEU 283 CO 0.00 -1.36 0.88 -0.94 -1.33 0.00 0.00 177.39 174.64 3hbl s SER 284 N -0.41 5.05 0.39 -1.43 1.04 -1.26 -4.90 113.70 112.18 3hbl s SER 284 Ca 0.62 2.52 0.06 0.00 0.48 0.00 0.00 55.95 59.63 3hbl s SER 284 Cb -0.73 -2.61 0.79 0.00 0.10 0.00 0.00 66.02 63.56 3hbl s SER 284 CO 0.58 -1.70 2.03 1.55 0.98 0.00 0.00 173.24 176.68 3hbl h PRO 285 N 0.91 0.58 0.42 4.02 0.13 -1.99 -2.01 132.00 134.06 3hbl h PRO 285 Ca -0.51 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3hbl h PRO 285 Cb 1.31 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3hbl h PRO 285 CO 0.55 0.42 -0.43 1.15 -0.23 0.00 0.00 178.00 179.45 3hbl h THR 286 N 0.60 0.00 -0.48 1.56 2.02 -1.99 0.17 112.91 114.78 3hbl h THR 286 Ca 0.16 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.42 3hbl h THR 286 Cb -0.01 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.33 3hbl h THR 286 CO -0.03 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.20 3hbl h LEU 287 N -0.85 -0.00 -0.10 2.58 6.46 -1.92 -0.92 115.31 120.56 3hbl h LEU 287 Ca -0.05 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 3hbl h LEU 287 Cb 0.74 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 3hbl h LEU 287 CO -0.06 0.03 -0.36 -0.09 -0.62 0.00 0.00 178.44 177.34 3hbl h ARG 288 N 0.23 -0.44 -0.71 1.25 2.43 -1.22 -0.05 114.38 115.87 3hbl h ARG 288 Ca 0.24 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.54 3hbl h ARG 288 Cb 0.31 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 3hbl h ARG 288 CO -0.31 -0.29 0.34 1.96 -1.51 0.00 0.00 179.97 180.16 3hbl h GLN 289 N -0.45 0.56 0.04 0.20 1.08 0.22 -1.17 115.11 115.59 3hbl h GLN 289 Ca 0.08 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hbl h GLN 289 Cb 0.58 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3hbl h GLN 289 CO -0.35 0.37 -0.02 0.00 -0.95 0.00 0.00 178.83 177.88 3hbl h ARG 290 N 0.58 -0.05 -0.95 1.46 3.08 -0.67 -0.32 114.38 117.51 3hbl h ARG 290 Ca 0.36 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.49 3hbl h ARG 290 Cb 0.40 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 3hbl h ARG 290 CO -0.28 0.02 0.60 0.82 -1.07 0.00 0.00 179.97 180.06 3hbl h ILE 291 N -0.12 1.02 -0.35 2.04 2.04 -0.60 0.12 117.51 121.67 3hbl h ILE 291 Ca -0.01 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 3hbl h ILE 291 Cb 0.10 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 3hbl h ILE 291 CO 0.01 0.19 -0.19 0.00 0.00 0.00 0.00 178.15 178.16 3hbl h ASP 293 N 0.52 0.81 -0.53 0.00 3.32 -0.20 -1.11 116.42 119.23 3hbl h ASP 293 Ca 0.07 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3hbl h ASP 293 Cb 0.74 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3hbl h ASP 293 CO 0.06 0.68 0.10 0.00 -1.72 0.00 0.00 179.24 178.36 3hbl h ALA 294 N 1.45 0.70 -0.53 3.45 0.00 -0.74 -0.07 119.26 123.52 3hbl h ALA 294 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hbl h ALA 294 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hbl h ALA 294 CO -0.03 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.76 3hbl h ALA 295 N 0.99 1.21 -0.26 0.00 0.00 -1.09 -2.52 119.26 117.59 3hbl h ALA 295 Ca 0.16 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3hbl h ALA 295 Cb 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hbl h ALA 295 CO 0.01 0.54 -0.51 0.82 0.00 0.00 0.00 179.25 180.11 3hbl h ILE 296 N 0.79 1.30 0.00 0.00 1.08 -0.70 -2.65 117.51 117.32 3hbl h ILE 296 Ca 0.17 -1.72 -0.10 0.00 -0.39 0.00 0.00 64.86 62.82 3hbl h ILE 296 Cb 0.31 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 3hbl h ILE 296 CO 0.00 0.55 -0.49 0.06 -0.69 0.00 0.00 178.15 177.58 3hbl h GLN 297 N 0.56 0.00 -0.07 2.37 3.07 -0.91 0.28 115.11 120.41 3hbl h GLN 297 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.72 3hbl h GLN 297 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.64 3hbl h GLN 297 CO 0.11 0.49 -0.12 1.25 0.09 0.00 0.00 178.83 180.65 3hbl h LEU 298 N 0.00 0.22 -0.26 0.06 5.85 -1.44 -2.67 115.31 117.07 3hbl h LEU 298 Ca -0.00 -0.54 -0.20 0.00 0.84 0.00 0.00 57.88 57.97 3hbl h LEU 298 Cb 1.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3hbl h LEU 298 CO 0.06 0.72 -0.88 0.24 -0.34 0.00 0.00 178.44 178.24 3hbl h MET 299 N -0.27 0.27 -0.22 1.25 2.86 -1.41 -3.05 114.93 114.36 3hbl h MET 299 Ca 0.01 -0.29 -0.15 0.00 -2.06 0.00 0.00 59.70 57.21 3hbl h MET 299 Cb 0.68 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 3hbl h MET 299 CO 0.03 0.99 -0.48 1.49 1.06 0.00 0.00 176.91 180.00 3hbl h GLU 300 N 0.15 0.60 -0.31 1.72 4.81 -1.06 0.23 114.58 120.72 3hbl h GLU 300 Ca -0.05 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 3hbl h GLU 300 Cb 1.51 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 3hbl h GLU 300 CO 0.14 0.95 0.18 -0.97 -0.73 0.00 0.00 179.01 178.58 3hbl h ASN 301 N 0.47 0.29 -0.33 1.04 -1.24 -1.45 -2.82 115.58 111.54 3hbl h ASN 301 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3hbl h ASN 301 Cb 1.02 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3hbl h ASN 301 CO 0.09 0.21 0.00 2.30 -1.29 0.00 0.00 177.43 178.75 3hbl n ILE 302 N -4.92 0.43 -3.62 2.57 -6.64 -1.16 -4.97 119.36 101.06 3hbl n ILE 302 Ca -0.01 -0.57 -0.22 0.00 -1.77 0.00 0.00 62.75 60.18 3hbl n ILE 302 Cb 0.05 0.59 0.04 0.00 -1.44 0.00 0.00 39.64 38.89 3hbl n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3hbl n LYS 303 N 0.91 -4.07 -1.69 6.28 5.02 -0.58 -4.93 118.16 119.10 3hbl n LYS 303 Ca 0.17 0.64 -0.40 0.00 -2.02 0.00 0.00 58.31 56.71 3hbl n LYS 303 Cb 0.45 -5.14 0.03 0.00 -0.02 0.00 0.00 35.03 30.35 3hbl n LYS 303 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hbl n TYR 304 N -4.10 1.90 -4.86 2.13 4.19 -0.03 -5.00 117.16 111.38 3hbl n TYR 304 Ca -0.24 0.47 -0.26 0.00 3.31 0.00 0.00 57.90 61.18 3hbl n TYR 304 Cb 0.66 -2.32 -0.15 0.00 0.49 0.00 0.00 39.34 38.01 3hbl n TYR 304 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3hbl s VAL 305 N -1.29 1.59 0.00 2.97 1.01 -1.26 -4.55 120.40 118.88 3hbl s VAL 305 Ca 0.67 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3hbl s VAL 305 Cb -0.46 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3hbl s VAL 305 CO 0.53 0.36 0.00 -3.20 0.00 0.00 0.00 175.10 172.79 3hbl n ASN 306 N 2.35 -1.55 -4.77 3.32 2.85 0.48 -3.64 115.26 114.31 3hbl n ASN 306 Ca -0.16 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 53.92 3hbl n ASN 306 Cb 0.53 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.49 3hbl n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hbl s ALA 307 N -1.41 3.43 -0.14 5.20 0.00 -1.26 -1.54 121.76 126.05 3hbl s ALA 307 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 3hbl s ALA 307 Cb 0.00 -2.96 0.10 0.00 0.00 0.00 0.00 23.12 20.26 3hbl s ALA 307 CO 0.00 0.24 0.88 0.20 0.00 0.00 0.00 175.76 177.08 3hbl s GLY 308 N -0.89 -0.38 -0.08 0.00 0.00 -0.68 -2.78 107.32 102.52 3hbl s GLY 308 Ca 0.36 1.84 0.01 0.00 0.00 0.00 0.00 44.72 46.94 3hbl s GLY 308 CO 0.25 1.10 -0.11 -1.59 0.00 0.00 0.00 173.10 172.76 3hbl s THR 309 N -0.97 3.33 -0.22 0.90 2.01 -0.76 -1.14 115.64 118.80 3hbl s THR 309 Ca -0.04 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 3hbl s THR 309 Cb -0.01 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3hbl s THR 309 CO 0.04 0.57 0.04 -0.69 -0.69 0.00 0.00 174.62 173.89 3hbl s VAL 310 N -0.48 4.26 -0.06 3.82 1.01 -0.50 -2.26 120.40 126.19 3hbl s VAL 310 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3hbl s VAL 310 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3hbl s VAL 310 CO 0.02 0.40 0.09 -1.61 0.00 0.00 0.00 175.10 174.00 3hbl s GLU 311 N 1.12 3.21 0.04 2.72 2.02 0.00 -0.14 118.70 127.67 3hbl s GLU 311 Ca 0.04 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.72 3hbl s GLU 311 Cb -0.14 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.09 3hbl s GLU 311 CO 0.03 0.71 -0.08 -0.06 0.02 0.00 0.00 175.26 175.87 3hbl s PHE 312 N -1.07 0.71 0.01 1.61 0.40 0.24 -0.68 117.98 119.19 3hbl s PHE 312 Ca 0.18 -0.46 -0.05 0.00 -0.60 0.00 0.00 56.93 56.01 3hbl s PHE 312 Cb -0.12 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 3hbl s PHE 312 CO 0.08 -0.06 0.24 -0.51 0.70 0.00 0.00 175.22 175.67 3hbl s LEU 313 N -1.45 4.36 -0.06 -0.37 1.02 0.75 -1.06 118.68 121.87 3hbl s LEU 313 Ca -0.08 0.46 -0.01 0.00 0.02 0.00 0.00 54.13 54.53 3hbl s LEU 313 Cb -0.09 -2.72 0.03 0.00 0.02 0.00 0.00 46.19 43.43 3hbl s LEU 313 CO 0.01 0.24 -0.00 -0.69 0.02 0.00 0.00 176.35 175.92 3hbl s VAL 314 N -1.35 0.36 -0.20 -1.59 1.01 0.75 -0.04 120.40 119.35 3hbl s VAL 314 Ca 0.29 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 3hbl s VAL 314 Cb -0.13 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.82 3hbl s VAL 314 CO 0.18 0.24 0.05 -0.55 0.00 0.00 0.00 175.10 175.02 3hbl s SER 315 N 1.66 2.94 0.97 3.32 0.15 -0.87 -0.50 113.70 121.37 3hbl s SER 315 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 3hbl s SER 315 Cb -0.13 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 3hbl s SER 315 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3hbl n GLY 317 N 5.07 1.00 1.08 9.45 0.00 -1.26 -3.23 105.19 117.29 3hbl n GLY 317 Ca -0.08 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.40 3hbl n GLY 317 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 318 N 7.51 3.43 -4.58 1.61 4.64 -1.26 -4.95 116.55 122.96 3hbl n ASP 318 Ca 0.00 -1.96 -0.32 0.00 -1.38 0.00 0.00 54.79 51.13 3hbl n ASP 318 Cb 0.00 -0.31 -0.11 0.00 -1.04 0.00 0.00 41.12 39.66 3hbl n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3hbl s GLU 319 N -1.19 2.52 0.19 -0.67 2.02 -1.20 -5.02 118.70 115.34 3hbl s GLU 319 Ca 0.38 -0.73 0.11 0.00 0.02 0.00 0.00 54.97 54.75 3hbl s GLU 319 Cb 0.21 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3hbl s GLU 319 CO 0.28 0.60 -0.24 -0.59 0.02 0.00 0.00 175.26 175.33 3hbl s PHE 320 N -0.97 2.29 -0.05 1.61 -0.71 -1.26 -2.06 117.98 116.83 3hbl s PHE 320 Ca 0.16 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 55.71 3hbl s PHE 320 Cb -0.11 -1.14 0.01 0.00 -1.21 0.00 0.00 43.02 40.57 3hbl s PHE 320 CO 0.07 0.48 -0.09 -0.06 -1.34 0.00 0.00 175.22 174.27 3hbl s PHE 321 N -1.62 1.14 0.20 3.49 0.40 0.95 -4.74 117.98 117.80 3hbl s PHE 321 Ca 0.20 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 3hbl s PHE 321 Cb -0.08 -0.86 -0.09 0.00 0.51 0.00 0.00 43.02 42.50 3hbl s PHE 321 CO 0.09 -0.20 1.32 0.12 0.70 0.00 0.00 175.22 177.24 3hbl s PHE 322 N 0.60 3.25 0.00 0.36 2.19 0.81 -0.18 117.98 125.01 3hbl s PHE 322 Ca -0.11 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.36 3hbl s PHE 322 Cb -0.14 -3.61 0.00 0.00 -1.31 0.00 0.00 43.02 37.96 3hbl s PHE 322 CO 0.02 -1.92 0.00 -0.89 1.83 0.00 0.00 175.22 174.26 3hbl n ILE 323 N 2.68 0.00 -3.93 3.12 2.08 0.14 -4.29 119.36 119.16 3hbl n ILE 323 Ca 0.06 0.37 -0.12 0.00 0.56 0.00 0.00 62.75 63.62 3hbl n ILE 323 Cb 0.43 -1.37 -0.00 0.00 -0.75 0.00 0.00 39.64 37.95 3hbl n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hbl s GLU 324 N -1.00 2.12 -0.11 0.38 -1.05 -1.23 -4.81 118.70 113.01 3hbl s GLU 324 Ca 0.00 -1.61 0.01 0.00 -0.15 0.00 0.00 54.97 53.21 3hbl s GLU 324 Cb 0.00 0.55 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 3hbl s GLU 324 CO 0.00 -0.95 -0.11 0.08 0.95 0.00 0.00 175.26 175.23 3hbl s VAL 325 N -2.56 1.21 -0.52 1.83 1.01 -1.26 -0.82 120.40 119.29 3hbl s VAL 325 Ca 0.22 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3hbl s VAL 325 Cb -0.03 -1.16 0.08 0.00 0.00 0.00 0.00 36.38 35.27 3hbl s VAL 325 CO 0.16 0.39 0.58 0.20 0.00 0.00 0.00 175.10 176.43 3hbl s ASN 326 N 1.37 6.19 -1.30 3.32 0.01 -0.96 -4.94 114.94 118.63 3hbl s ASN 326 Ca -0.00 -1.23 -0.08 0.00 -0.71 0.00 0.00 52.86 50.83 3hbl s ASN 326 Cb -0.14 -2.26 0.15 0.00 0.41 0.00 0.00 41.25 39.41 3hbl s ASN 326 CO -0.05 -0.89 2.07 -0.81 -1.51 0.00 0.00 177.10 175.91 3hbl n PRO 327 N 5.89 3.97 -3.96 -0.60 -0.04 -1.26 -1.83 135.00 137.16 3hbl n PRO 327 Ca -0.09 -3.49 0.02 0.00 -0.04 0.00 0.00 63.50 59.90 3hbl n PRO 327 Cb 0.44 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 3hbl n PRO 327 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3hbl s ARG 328 N -0.15 0.45 0.71 0.54 1.70 -1.12 -4.62 118.95 116.47 3hbl s ARG 328 Ca 0.45 -0.29 -0.13 0.00 -0.47 0.00 0.00 55.73 55.29 3hbl s ARG 328 Cb 0.13 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3hbl s ARG 328 CO -0.03 -0.21 1.10 0.14 -1.08 0.00 0.00 175.30 175.22 3hbl s VAL 329 N -2.05 3.34 0.27 4.99 -7.23 -1.26 -4.06 120.40 114.40 3hbl s VAL 329 Ca 0.28 0.53 0.11 0.00 -1.81 0.00 0.00 61.98 61.09 3hbl s VAL 329 Cb -0.00 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 3hbl s VAL 329 CO -0.00 -0.48 -0.08 -1.10 -0.31 0.00 0.00 175.10 173.13 3hbl s GLN 330 N -4.49 2.04 0.17 4.82 -0.21 -1.26 -4.64 119.66 116.10 3hbl s GLN 330 Ca 0.64 -1.57 -0.15 0.00 0.02 0.00 0.00 55.36 54.30 3hbl s GLN 330 Cb -0.19 -2.00 0.12 0.00 1.00 0.00 0.00 33.01 31.95 3hbl s GLN 330 CO 0.48 0.35 1.70 0.28 -2.12 0.00 0.00 175.29 175.98 3hbl h VAL 331 N 2.04 0.69 -0.11 1.09 2.07 -1.99 -2.77 116.25 117.27 3hbl h VAL 331 Ca -0.42 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3hbl h VAL 331 Cb 1.25 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3hbl h VAL 331 CO 0.60 0.02 0.03 -1.84 0.02 0.00 0.00 177.57 176.40 3hbl n GLU 332 N -5.19 1.53 -0.27 1.57 0.00 -1.26 -4.25 120.64 112.78 3hbl n GLU 332 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 57.16 56.63 3hbl n GLU 332 Cb 0.22 -1.52 0.09 0.00 0.00 0.00 0.00 31.44 30.23 3hbl n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hbl h HIS 333 N 0.53 1.17 -0.84 -1.84 2.07 -1.91 -3.16 115.15 111.16 3hbl h HIS 333 Ca 0.03 -0.09 0.11 0.00 -2.85 0.00 0.00 60.37 57.57 3hbl h HIS 333 Cb 0.89 -0.35 -0.08 0.00 2.57 0.00 0.00 27.41 30.44 3hbl h HIS 333 CO 0.20 0.89 0.47 1.79 -3.07 0.00 0.00 177.93 178.21 3hbl h THR 334 N 1.12 0.86 -0.93 6.12 1.35 -1.86 -0.15 112.91 119.42 3hbl h THR 334 Ca 0.26 -0.26 0.25 0.00 -0.55 0.00 0.00 66.41 66.11 3hbl h THR 334 Cb 0.22 0.04 -0.13 0.00 -1.73 0.00 0.00 68.15 66.54 3hbl h THR 334 CO -0.02 0.14 0.42 -0.29 -0.25 0.00 0.00 175.52 175.52 3hbl h ILE 335 N 0.76 0.40 0.06 6.82 2.10 -1.90 0.53 117.51 126.28 3hbl h ILE 335 Ca 0.42 -0.12 -0.24 0.00 1.08 0.00 0.00 64.86 66.00 3hbl h ILE 335 Cb 0.45 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.18 3hbl h ILE 335 CO -0.28 0.07 -1.09 0.74 -1.08 0.00 0.00 178.15 176.50 3hbl h THR 336 N 0.36 1.59 -0.37 2.19 2.02 -1.20 -3.02 112.91 114.48 3hbl h THR 336 Ca 0.61 -3.17 -0.05 0.00 0.77 0.00 0.00 66.41 64.57 3hbl h THR 336 Cb 1.24 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 70.49 3hbl h THR 336 CO -0.57 0.92 0.04 -0.33 0.37 0.00 0.00 175.52 175.94 3hbl h GLU 337 N 0.05 0.64 -0.90 6.66 5.08 -0.32 -1.30 114.58 124.48 3hbl h GLU 337 Ca -0.07 -0.18 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3hbl h GLU 337 Cb 1.83 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.94 3hbl h GLU 337 CO 0.16 0.72 0.58 0.52 -1.00 0.00 0.00 179.01 179.99 3hbl h MET 338 N 0.47 0.81 0.00 2.33 2.86 -0.01 0.35 114.93 121.74 3hbl h MET 338 Ca 0.11 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.52 3hbl h MET 338 Cb 0.41 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3hbl h MET 338 CO 0.01 0.54 -1.51 1.33 1.06 0.00 0.00 176.91 178.34 3hbl n VAL 339 N -4.55 1.20 -0.02 -2.22 0.24 -1.15 -4.32 118.33 107.51 3hbl n VAL 339 Ca 0.16 -0.70 0.04 0.00 -2.04 0.00 0.00 64.34 61.80 3hbl n VAL 339 Cb 0.36 -0.73 -0.15 0.00 -1.47 0.00 0.00 33.84 31.85 3hbl n VAL 339 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hbl n THR 340 N -2.87 0.51 -0.12 3.34 -2.24 -0.50 -0.53 114.28 111.86 3hbl n THR 340 Ca -0.11 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3hbl n THR 340 Cb 0.87 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3hbl n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbl n GLY 341 N 1.40 1.45 3.76 3.38 0.00 0.12 -4.83 105.19 110.46 3hbl n GLY 341 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3hbl n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 342 N -2.67 4.94 -0.54 -0.61 1.09 -1.25 -5.00 121.20 117.17 3hbl s ILE 342 Ca 0.00 1.23 -0.24 0.00 -1.10 0.00 0.00 60.65 60.55 3hbl s ILE 342 Cb 0.00 -3.93 0.04 0.00 -1.06 0.00 0.00 42.46 37.51 3hbl s ILE 342 CO 0.00 0.40 0.92 -0.62 -0.10 0.00 0.00 174.94 175.54 3hbl s ASP 343 N -0.06 6.34 0.01 3.58 3.68 -1.26 -4.36 116.67 124.60 3hbl s ASP 343 Ca 0.31 -0.36 -0.25 0.00 2.13 0.00 0.00 52.55 54.38 3hbl s ASP 343 Cb -0.18 -2.43 -0.17 0.00 -1.45 0.00 0.00 42.92 38.69 3hbl s ASP 343 CO 0.17 -1.19 1.27 0.40 0.13 0.00 0.00 175.17 175.94 3hbl h ILE 344 N 6.01 0.88 -0.04 4.11 2.04 -1.95 -2.32 117.51 126.24 3hbl h ILE 344 Ca -0.26 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3hbl h ILE 344 Cb 1.08 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3hbl h ILE 344 CO 1.07 0.15 -0.31 0.58 0.00 0.00 0.00 178.15 179.65 3hbl h VAL 345 N -0.64 0.32 -0.13 1.67 2.07 -1.99 -0.77 116.25 116.79 3hbl h VAL 345 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hbl h VAL 345 Cb 0.46 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3hbl h VAL 345 CO 0.05 0.00 0.08 0.50 0.02 0.00 0.00 177.57 178.22 3hbl h LYS 346 N -0.43 0.17 -0.18 1.57 3.64 -1.95 -1.21 116.57 118.18 3hbl h LYS 346 Ca 0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3hbl h LYS 346 Cb 0.54 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3hbl h LYS 346 CO -0.29 0.12 -0.03 1.15 -2.27 0.00 0.00 179.45 178.13 3hbl h THR 347 N 0.18 1.28 -0.52 1.00 2.02 -0.71 -2.26 112.91 113.89 3hbl h THR 347 Ca 0.05 -0.97 0.10 0.00 0.77 0.00 0.00 66.41 66.37 3hbl h THR 347 Cb -0.02 1.55 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 3hbl h THR 347 CO -0.01 0.29 -0.22 1.56 0.37 0.00 0.00 175.52 177.51 3hbl h GLN 348 N 0.06 -0.10 -0.78 6.66 4.20 0.04 0.29 115.11 125.50 3hbl h GLN 348 Ca 0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hbl h GLN 348 Cb 0.45 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3hbl h GLN 348 CO 0.02 -0.06 0.49 0.82 -0.67 0.00 0.00 178.83 179.42 3hbl h ILE 349 N -0.10 1.21 -0.31 2.54 2.04 -1.40 -0.98 117.51 120.51 3hbl h ILE 349 Ca 0.24 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3hbl h ILE 349 Cb 0.48 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3hbl h ILE 349 CO -0.59 0.21 -0.20 -0.07 0.00 0.00 0.00 178.15 177.50 3hbl h LEU 350 N 1.06 0.71 -0.53 1.44 3.38 -0.61 -2.55 115.31 118.21 3hbl h LEU 350 Ca 0.28 -0.43 0.11 0.00 0.09 0.00 0.00 57.88 57.93 3hbl h LEU 350 Cb -0.08 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 3hbl h LEU 350 CO -0.06 0.99 -0.02 0.58 0.09 0.00 0.00 178.44 180.02 3hbl h VAL 351 N 0.44 0.56 0.00 1.22 2.07 -0.15 -0.24 116.25 120.15 3hbl h VAL 351 Ca 0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3hbl h VAL 351 Cb 0.75 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3hbl h VAL 351 CO 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 177.57 177.66 3hbl h ALA 352 N 1.48 1.48 -0.04 1.67 0.00 -0.89 -1.42 119.26 121.54 3hbl h ALA 352 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hbl h ALA 352 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hbl h ALA 352 CO -0.46 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.79 3hbl n ALA 353 N -2.30 2.58 -0.06 0.00 0.00 -0.14 -4.91 120.51 115.68 3hbl n ALA 353 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3hbl n ALA 353 Cb 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3hbl n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 354 N 1.11 0.69 3.57 0.00 0.00 -0.53 -4.82 105.19 105.21 3hbl n GLY 354 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3hbl n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 355 N -1.46 -0.56 -2.70 4.61 0.00 -1.00 -4.83 120.51 114.57 3hbl n ALA 355 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 3hbl n ALA 355 Cb 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 3hbl n ALA 355 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hbl s ASP 356 N -1.53 6.86 0.18 0.00 3.68 -1.26 -4.52 116.67 120.08 3hbl s ASP 356 Ca 0.71 1.03 -0.17 0.00 2.13 0.00 0.00 52.55 56.25 3hbl s ASP 356 Cb -0.36 -2.36 0.14 0.00 -1.45 0.00 0.00 42.92 38.90 3hbl s ASP 356 CO 0.52 -0.05 1.63 0.25 0.13 0.00 0.00 175.17 177.64 3hbl h LEU 357 N 6.67 -0.68 -1.54 -1.34 5.85 -1.94 -1.45 115.31 120.89 3hbl h LEU 357 Ca -0.41 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hbl h LEU 357 Cb 1.19 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3hbl h LEU 357 CO 0.75 -0.23 0.00 0.49 -0.34 0.00 0.00 178.44 179.12 3hbl n PHE 357 N -5.40 0.44 -0.54 1.25 3.01 -1.26 -1.40 117.46 113.56 3hbl n PHE 357 Ca 0.04 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.28 3hbl n PHE 357 Cb 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3hbl n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 357 N 1.22 -1.07 0.18 1.37 0.00 -0.54 -4.68 105.19 101.67 3hbl n GLY 357 Ca 0.16 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.64 3hbl n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hbl h GLU 358 N 0.00 0.00 0.06 1.61 5.08 -1.92 -2.40 114.58 117.01 3hbl h GLU 358 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hbl h GLU 358 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hbl h GLU 358 CO 0.00 0.12 -0.03 0.93 -1.00 0.00 0.00 179.01 179.04 3hbl h GLU 359 N 0.00 -0.07 0.14 2.33 3.07 -1.94 -3.40 114.58 114.71 3hbl h GLU 359 Ca -0.01 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 3hbl h GLU 359 Cb 1.11 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 3hbl h GLU 359 CO 0.02 0.53 -1.92 0.82 -1.40 0.00 0.00 179.01 177.06 3hbl h ILE 360 N -0.78 0.72 -5.75 3.13 2.04 -1.74 -3.49 117.51 111.63 3hbl h ILE 360 Ca -0.01 -2.39 -0.33 0.00 1.00 0.00 0.00 64.86 63.13 3hbl h ILE 360 Cb 0.63 2.58 0.14 0.00 -0.74 0.00 0.00 36.82 39.44 3hbl h ILE 360 CO 0.01 0.88 -0.84 0.59 0.00 0.00 0.00 178.15 178.79 3hbl n ASN 361 N -3.53 -4.12 -4.65 1.72 4.13 -0.90 -4.95 115.26 102.95 3hbl n ASN 361 Ca -0.30 -0.76 -0.43 0.00 1.68 0.00 0.00 54.58 54.77 3hbl n ASN 361 Cb 1.05 -4.67 -0.02 0.00 -1.54 0.00 0.00 39.78 34.60 3hbl n ASN 361 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3hbl s MET 362 N -5.21 4.15 0.62 3.52 1.75 -0.49 -5.01 119.30 118.62 3hbl s MET 362 Ca 0.25 1.25 -0.18 0.00 -1.25 0.00 0.00 55.69 55.76 3hbl s MET 362 Cb -0.05 -3.71 -0.02 0.00 2.84 0.00 0.00 34.83 33.89 3hbl s MET 362 CO 0.77 -0.79 1.25 -2.14 -0.65 0.00 0.00 175.02 173.47 3hbl s PRO 362 N 3.49 2.77 0.79 4.11 0.02 -1.26 -4.55 135.00 140.37 3hbl s PRO 362 Ca 0.46 1.96 -0.14 0.00 0.02 0.00 0.00 61.00 63.30 3hbl s PRO 362 Cb -0.14 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.56 3hbl s PRO 362 CO 0.12 -1.40 1.22 -1.14 -0.33 0.00 0.00 177.00 175.47 3hbl s GLN 363 N -3.34 1.73 0.31 5.54 2.00 -1.26 -4.56 119.66 120.08 3hbl s GLN 363 Ca 0.80 1.80 0.08 0.00 -2.00 0.00 0.00 55.36 56.04 3hbl s GLN 363 Cb -0.34 -1.78 0.85 0.00 0.80 0.00 0.00 33.01 32.54 3hbl s GLN 363 CO 0.37 -2.16 1.72 0.37 -0.50 0.00 0.00 175.29 175.09 3hbl h GLN 364 N -0.74 0.52 0.00 1.67 5.75 -1.95 0.61 115.11 120.98 3hbl h GLN 364 Ca -0.47 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.98 3hbl h GLN 364 Cb 1.30 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 3hbl h GLN 364 CO 0.47 0.34 -0.12 1.57 -2.65 0.00 0.00 178.83 178.45 3hbl h LYS 365 N 0.54 0.00 0.00 1.69 2.10 -2.01 -2.73 116.57 116.16 3hbl h LYS 365 Ca 0.63 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 3hbl h LYS 365 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3hbl h LYS 365 CO -0.49 0.12 -0.71 -0.25 -2.00 0.00 0.00 179.45 176.12 3hbl n ASP 366 N -4.19 0.66 -4.68 7.07 8.00 0.21 -4.84 116.55 118.78 3hbl n ASP 366 Ca -0.03 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 3hbl n ASP 366 Cb 0.20 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 3hbl n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbl s ILE 367 N -3.16 3.97 0.20 0.53 1.01 -0.82 -4.91 121.20 118.01 3hbl s ILE 367 Ca 0.06 1.30 -0.06 0.00 0.00 0.00 0.00 60.65 61.95 3hbl s ILE 367 Cb 0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3hbl s ILE 367 CO 0.74 -0.02 0.24 0.42 0.00 0.00 0.00 174.94 176.32 3hbl s THR 368 N 2.59 0.03 0.01 2.92 -4.23 -1.26 -5.01 115.64 110.69 3hbl s THR 368 Ca 0.60 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 3hbl s THR 368 Cb -0.28 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 3hbl s THR 368 CO 0.23 -0.12 0.21 0.42 -0.54 0.00 0.00 174.62 174.82 3hbl s THR 369 N -4.07 5.39 -0.18 3.99 -4.23 -1.26 -4.30 115.64 110.98 3hbl s THR 369 Ca 0.28 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 3hbl s THR 369 Cb 0.04 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.34 3hbl s THR 369 CO 0.07 0.29 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.05 3hbl s LEU 370 N -2.04 2.11 0.00 4.79 2.96 0.31 -5.00 118.68 121.81 3hbl s LEU 370 Ca 0.29 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3hbl s LEU 370 Cb -0.13 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3hbl s LEU 370 CO 0.20 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3hbl n GLY 371 N 4.65 0.87 2.97 7.98 0.00 -1.26 -4.56 105.19 115.85 3hbl n GLY 371 Ca -0.19 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3hbl n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbl s TYR 372 N 0.00 0.45 -0.02 1.61 1.51 0.15 -4.53 117.35 116.52 3hbl s TYR 372 Ca 0.00 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3hbl s TYR 372 Cb 0.00 -0.28 -0.01 0.00 -0.11 0.00 0.00 41.96 41.56 3hbl s TYR 372 CO 0.00 -0.03 -0.15 0.00 -1.11 0.00 0.00 175.55 174.26 3hbl s ALA 373 N -0.47 1.29 0.07 3.71 0.00 0.32 -1.68 121.76 124.99 3hbl s ALA 373 Ca -0.02 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.40 3hbl s ALA 373 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3hbl s ALA 373 CO -0.00 0.29 -0.24 0.42 0.00 0.00 0.00 175.76 176.23 3hbl s ILE 374 N -0.20 1.93 0.07 0.00 1.01 -0.19 -1.37 121.20 122.45 3hbl s ILE 374 Ca 0.03 -1.41 0.05 0.00 0.00 0.00 0.00 60.65 59.32 3hbl s ILE 374 Cb -0.08 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3hbl s ILE 374 CO 0.00 0.20 -0.15 -1.58 0.00 0.00 0.00 174.94 173.41 3hbl s GLN 375 N -1.46 0.88 0.03 2.79 0.74 -0.56 -0.83 119.66 121.24 3hbl s GLN 375 Ca 0.10 -0.92 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 3hbl s GLN 375 Cb -0.10 -0.91 0.00 0.00 1.10 0.00 0.00 33.01 33.10 3hbl s GLN 375 CO 0.03 0.21 0.16 0.00 -0.55 0.00 0.00 175.29 175.14 3hbl s ARG 377 N -2.15 3.66 -0.18 0.00 3.00 -1.26 -1.19 118.95 120.84 3hbl s ARG 377 Ca -0.09 -0.50 -0.25 0.00 0.00 0.00 0.00 55.73 54.90 3hbl s ARG 377 Cb -0.03 -3.11 -0.01 0.00 0.00 0.00 0.00 34.95 31.79 3hbl s ARG 377 CO -0.02 0.03 0.81 0.42 0.00 0.00 0.00 175.30 176.54 3hbl s ILE 378 N 0.96 4.89 0.36 1.52 -1.09 0.22 -4.98 121.20 123.09 3hbl s ILE 378 Ca 0.02 1.58 0.04 0.00 -2.23 0.00 0.00 60.65 60.05 3hbl s ILE 378 Cb -0.14 -4.11 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 3hbl s ILE 378 CO 0.02 0.02 0.06 0.42 -1.23 0.00 0.00 174.94 174.24 3hbl s THR 379 N 2.20 1.19 -1.64 2.92 -4.23 -1.26 0.44 115.64 115.25 3hbl s THR 379 Ca 0.37 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3hbl s THR 379 Cb -0.16 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.15 3hbl s THR 379 CO 0.12 0.00 1.04 0.35 -0.54 0.00 0.00 174.62 175.58 3hbl n THR 380 N -0.80 0.38 -2.07 3.99 -2.24 -1.22 -2.52 114.28 109.80 3hbl n THR 380 Ca -0.04 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 3hbl n THR 380 Cb 0.66 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.82 3hbl n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hbl s GLU 381 N -1.66 3.42 -0.50 -0.78 2.02 -1.26 -1.65 118.70 118.29 3hbl s GLU 381 Ca 0.13 1.36 -0.28 0.00 0.02 0.00 0.00 54.97 56.20 3hbl s GLU 381 Cb 0.08 -4.15 0.00 0.00 0.10 0.00 0.00 34.13 30.16 3hbl s GLU 381 CO 0.07 -1.75 1.51 0.34 0.02 0.00 0.00 175.26 175.45 3hbl s ASP 382 N 5.54 6.06 0.42 -0.19 2.15 -0.16 -3.45 116.67 127.03 3hbl s ASP 382 Ca 0.76 0.57 0.28 0.00 0.43 0.00 0.00 52.55 54.60 3hbl s ASP 382 Cb -0.21 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 40.93 3hbl s ASP 382 CO 0.33 -1.71 1.83 -0.65 -0.17 0.00 0.00 175.17 174.81 3hbl h PRO 383 N 11.64 0.00 0.00 4.34 0.11 -1.91 -0.40 132.00 145.78 3hbl h PRO 383 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hbl h PRO 383 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hbl h PRO 383 CO 1.14 0.00 -0.36 -0.07 -0.21 0.00 0.00 178.00 178.50 3hbl h LEU 384 N 0.00 0.00 -5.55 2.35 3.38 -1.95 -3.38 115.31 110.16 3hbl h LEU 384 Ca 0.00 -0.09 -0.58 0.00 0.09 0.00 0.00 57.88 57.30 3hbl h LEU 384 Cb 0.56 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.89 3hbl h LEU 384 CO 0.00 0.05 -0.69 -3.20 0.09 0.00 0.00 178.44 174.68 3hbl n ASN 385 N -2.34 3.91 -2.77 -0.43 5.15 -0.49 -4.94 115.26 113.35 3hbl n ASN 385 Ca 0.04 -3.55 -0.13 0.00 -0.60 0.00 0.00 54.58 50.34 3hbl n ASN 385 Cb 0.46 -0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 3hbl n ASN 385 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hbl n ASP 386 N 0.06 -2.92 -3.39 1.20 4.64 -1.23 -1.86 116.55 113.04 3hbl n ASP 386 Ca 0.30 0.08 -0.17 0.00 -1.38 0.00 0.00 54.79 53.62 3hbl n ASP 386 Cb 0.42 -2.51 0.09 0.00 -1.04 0.00 0.00 41.12 38.08 3hbl n ASP 386 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3hbl n PHE 387 N -3.29 -2.18 -2.66 -0.67 3.72 -0.28 -4.98 117.46 107.12 3hbl n PHE 387 Ca -0.06 0.93 -0.43 0.00 -0.05 0.00 0.00 57.45 57.84 3hbl n PHE 387 Cb 0.55 -5.01 -0.02 0.00 -0.94 0.00 0.00 39.48 34.07 3hbl n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hbl s MET 388 N -5.29 4.29 -0.90 -1.08 -1.94 -0.78 -4.59 119.30 109.01 3hbl s MET 388 Ca 0.02 1.37 -0.25 0.00 -1.71 0.00 0.00 55.69 55.13 3hbl s MET 388 Cb -0.00 -3.63 -0.07 0.00 2.01 0.00 0.00 34.83 33.14 3hbl s MET 388 CO 0.72 -0.58 2.05 -2.14 -0.01 0.00 0.00 175.02 175.06 3hbl s PRO 389 N 3.01 2.31 0.61 2.03 0.02 -1.26 -0.99 135.00 140.73 3hbl s PRO 389 Ca 0.45 -0.18 -0.19 0.00 0.02 0.00 0.00 61.00 61.11 3hbl s PRO 389 Cb -0.16 -5.01 -0.02 0.00 0.02 0.00 0.00 34.50 29.33 3hbl s PRO 389 CO 0.08 -3.70 1.28 0.34 -0.33 0.00 0.00 177.00 174.67 3hbl s ASP 390 N 8.58 4.87 0.47 2.53 3.68 -0.66 -4.93 116.67 131.21 3hbl s ASP 390 Ca 0.75 2.59 0.05 0.00 2.13 0.00 0.00 52.55 58.07 3hbl s ASP 390 Cb -0.08 -2.62 -0.02 0.00 -1.45 0.00 0.00 42.92 38.75 3hbl s ASP 390 CO 0.02 -1.82 0.17 0.42 0.13 0.00 0.00 175.17 174.09 3hbl s THR 391 N -1.43 1.82 -4.67 1.71 -4.23 -1.26 -4.82 115.64 102.77 3hbl s THR 391 Ca 0.79 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 3hbl s THR 391 Cb -0.36 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3hbl s THR 391 CO 0.39 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 3hbl n GLY 392 N -1.34 0.89 3.65 3.99 0.00 -1.24 -4.90 105.19 106.23 3hbl n GLY 392 Ca -0.06 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 3hbl n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s THR 393 N -3.03 3.81 -0.41 2.61 2.01 -1.26 -1.33 115.64 118.04 3hbl s THR 393 Ca 0.00 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 3hbl s THR 393 Cb 0.00 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.76 3hbl s THR 393 CO 0.00 0.17 0.30 -0.63 -0.69 0.00 0.00 174.62 173.77 3hbl s ILE 394 N -1.23 5.20 -0.38 1.82 1.01 -1.07 -4.46 121.20 122.09 3hbl s ILE 394 Ca 0.23 -0.72 0.21 0.00 0.00 0.00 0.00 60.65 60.38 3hbl s ILE 394 Cb -0.11 -3.92 0.28 0.00 0.01 0.00 0.00 42.46 38.72 3hbl s ILE 394 CO 0.15 -0.33 1.57 0.16 0.00 0.00 0.00 174.94 176.49 3hbl h ILE 395 N 5.66 0.16 -1.95 2.92 -0.00 -1.71 0.35 117.51 122.94 3hbl h ILE 395 Ca -0.27 -1.23 -0.04 0.00 -0.00 0.00 0.00 64.86 63.33 3hbl h ILE 395 Cb 1.12 2.07 -0.21 0.00 -0.00 0.00 0.00 36.82 39.80 3hbl h ILE 395 CO 0.74 0.09 0.19 0.00 -0.00 0.00 0.00 178.15 179.17 3hbl s ALA 396 N -3.17 -1.80 -0.13 0.16 0.00 -1.25 -4.47 121.76 111.11 3hbl s ALA 396 Ca 0.06 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 53.71 3hbl s ALA 396 Cb 0.06 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.50 3hbl s ALA 396 CO 0.69 -0.34 0.10 -0.47 0.00 0.00 0.00 175.76 175.73 3hbl s TYR 397 N -0.29 0.08 -0.28 0.00 6.14 -1.26 -2.79 117.35 118.94 3hbl s TYR 397 Ca -0.04 -0.02 0.02 0.00 0.64 0.00 0.00 57.07 57.67 3hbl s TYR 397 Cb -0.03 -0.56 0.08 0.00 0.42 0.00 0.00 41.96 41.87 3hbl s TYR 397 CO 0.04 -0.41 0.00 1.03 0.64 0.00 0.00 175.55 176.85 3hbl s ARG 398 N 2.18 1.45 0.65 4.97 3.00 -1.20 -4.85 118.95 125.14 3hbl s ARG 398 Ca 0.03 -1.29 -0.03 0.00 0.00 0.00 0.00 55.73 54.44 3hbl s ARG 398 Cb -0.14 -2.67 0.05 0.00 0.00 0.00 0.00 34.95 32.18 3hbl s ARG 398 CO -0.07 -0.77 0.92 -1.54 0.00 0.00 0.00 175.30 173.84 3hbl s SER 399 N 1.27 4.97 0.00 0.23 1.04 -1.26 -2.69 113.70 117.26 3hbl s SER 399 Ca 0.02 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3hbl s SER 399 Cb -0.19 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 64.96 3hbl s SER 399 CO -0.10 -1.44 0.00 -1.54 0.98 0.00 0.00 173.24 171.14 3hbl n SER 400 N -2.70 0.00 0.00 7.02 3.41 -1.26 -4.89 113.62 115.20 3hbl n SER 400 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3hbl n SER 400 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3hbl n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbl n GLY 401 N 2.93 -1.38 0.00 5.00 0.00 -1.26 -5.13 105.19 105.35 3hbl n GLY 401 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3hbl n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 402 N 0.00 2.57 3.73 -0.02 0.00 -1.26 -4.83 105.19 105.37 3hbl n GLY 402 Ca 0.00 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3hbl n GLY 402 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 403 N -2.70 2.92 -0.29 1.61 2.19 -1.26 -2.02 117.98 118.42 3hbl s PHE 403 Ca 0.00 0.52 0.00 0.00 0.33 0.00 0.00 56.93 57.78 3hbl s PHE 403 Cb 0.00 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.64 3hbl s PHE 403 CO 0.00 -3.91 0.00 0.41 1.83 0.00 0.00 175.22 173.55 3hbl n GLY 404 N 3.51 0.59 3.19 13.12 0.00 -1.26 -4.94 105.19 119.40 3hbl n GLY 404 Ca 0.14 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3hbl n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbl s VAL 405 N -1.99 2.45 -0.14 1.61 1.01 -0.86 -1.40 120.40 121.07 3hbl s VAL 405 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hbl s VAL 405 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3hbl s VAL 405 CO 0.00 0.51 -0.15 -0.60 0.00 0.00 0.00 175.10 174.86 3hbl s ARG 406 N 1.23 3.25 -0.38 2.72 3.00 -0.14 -4.58 118.95 124.05 3hbl s ARG 406 Ca 0.03 -0.74 -0.07 0.00 -1.00 0.00 0.00 55.73 53.95 3hbl s ARG 406 Cb -0.14 -2.61 0.07 0.00 0.00 0.00 0.00 34.95 32.27 3hbl s ARG 406 CO -0.08 0.08 0.17 -0.51 0.00 0.00 0.00 175.30 174.96 3hbl s LEU 407 N 0.66 4.75 -0.74 -0.88 1.43 -1.26 -1.78 118.68 120.86 3hbl s LEU 407 Ca -0.08 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.41 3hbl s LEU 407 Cb -0.16 -1.90 0.13 0.00 0.03 0.00 0.00 46.19 44.30 3hbl s LEU 407 CO 0.02 -0.44 0.86 -1.81 0.23 0.00 0.00 176.35 175.21 3hbl s ASP 408 N 1.73 6.42 0.12 2.29 1.01 -0.11 -4.97 116.67 123.16 3hbl s ASP 408 Ca 0.01 -1.82 -0.30 0.00 0.71 0.00 0.00 52.55 51.15 3hbl s ASP 408 Cb -0.21 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 3hbl s ASP 408 CO 0.01 -1.02 1.10 0.00 0.21 0.00 0.00 175.17 175.47 3hbl s ALA 409 N 2.30 3.34 0.00 5.23 0.00 -1.26 -0.98 121.76 130.39 3hbl s ALA 409 Ca 0.19 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3hbl s ALA 409 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hbl s ALA 409 CO -0.01 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3hbl n GLY 410 N 2.52 0.45 0.71 0.00 0.00 -0.18 -3.58 105.19 105.12 3hbl n GLY 410 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3hbl n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 411 N 0.00 2.31 -4.48 1.61 8.00 -0.95 -4.68 116.55 118.36 3hbl n ASP 411 Ca 0.00 -1.72 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 3hbl n ASP 411 Cb 0.00 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3hbl n ASP 411 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 412 N -2.10 1.27 0.23 0.44 0.00 -0.66 -4.87 107.32 101.63 3hbl s GLY 412 Ca 0.29 -1.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.06 3hbl s GLY 412 CO 0.36 2.23 0.90 1.97 0.00 0.00 0.00 173.10 178.55 3hbl n PHE 413 N 8.11 -1.59 -2.43 1.90 1.16 -1.26 -4.98 117.46 118.37 3hbl n PHE 413 Ca -0.00 -1.35 -0.41 0.00 -1.87 0.00 0.00 57.45 53.82 3hbl n PHE 413 Cb 0.47 0.66 -0.04 0.00 -1.61 0.00 0.00 39.48 38.96 3hbl n PHE 413 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3hbl s GLN 414 N -2.06 4.55 -1.32 3.97 -2.07 -1.26 -3.86 119.66 117.61 3hbl s GLN 414 Ca 0.19 1.82 -0.06 0.00 -1.82 0.00 0.00 55.36 55.49 3hbl s GLN 414 Cb -0.03 -3.24 0.01 0.00 -1.09 0.00 0.00 33.01 28.66 3hbl s GLN 414 CO 0.07 0.03 1.12 0.41 -1.32 0.00 0.00 175.29 175.59 3hbl n GLY 415 N 1.88 -0.49 3.56 2.60 0.00 0.12 -4.98 105.19 107.89 3hbl n GLY 415 Ca 0.02 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3hbl n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl s ALA 416 N -3.34 3.44 -0.75 4.61 0.00 -1.25 -4.84 121.76 119.63 3hbl s ALA 416 Ca 0.41 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 3hbl s ALA 416 Cb -0.18 -2.35 0.07 0.00 0.00 0.00 0.00 23.12 20.66 3hbl s ALA 416 CO 0.74 -0.47 1.10 -1.21 0.00 0.00 0.00 175.76 175.91 3hbl s GLU 417 N 1.61 3.25 -0.32 0.00 0.41 -1.26 -2.58 118.70 119.80 3hbl s GLU 417 Ca 0.07 -0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 53.45 3hbl s GLU 417 Cb -0.15 -4.43 -0.01 0.00 -1.78 0.00 0.00 34.13 27.76 3hbl s GLU 417 CO 0.08 -1.91 1.48 0.42 -0.49 0.00 0.00 175.26 174.84 3hbl s ILE 418 N 4.27 3.86 -0.06 -1.63 1.01 -0.44 -4.98 121.20 123.23 3hbl s ILE 418 Ca 0.29 0.93 -0.19 0.00 0.00 0.00 0.00 60.65 61.68 3hbl s ILE 418 Cb -0.12 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 3hbl s ILE 418 CO 0.06 -0.51 0.53 -0.94 0.00 0.00 0.00 174.94 174.08 3hbl s SER 419 N 3.97 6.83 0.00 3.58 1.04 -1.26 -3.70 113.70 124.15 3hbl s SER 419 Ca 0.65 0.99 0.09 0.00 0.48 0.00 0.00 55.95 58.16 3hbl s SER 419 Cb -0.19 -2.32 0.53 0.00 0.10 0.00 0.00 66.02 64.15 3hbl s SER 419 CO 0.29 0.07 0.97 -0.81 0.98 0.00 0.00 173.24 174.74 3hbl n PRO 420 N 3.12 0.29 0.00 4.02 -0.04 -1.26 -3.24 135.00 137.89 3hbl n PRO 420 Ca -0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.53 3hbl n PRO 420 Cb 0.51 -1.48 0.59 0.00 -0.04 0.00 0.00 33.50 33.09 3hbl n PRO 420 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hbl n TYR 421 N -0.98 0.00 -4.51 0.54 4.02 -1.26 -4.89 117.16 110.09 3hbl n TYR 421 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.72 3hbl n TYR 421 Cb 0.03 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.06 3hbl n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hbl s TYR 422 N -2.50 1.97 0.11 -0.72 1.51 -1.20 -4.56 117.35 111.96 3hbl s TYR 422 Ca 0.28 -1.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.03 3hbl s TYR 422 Cb 0.20 -1.33 -0.07 0.00 -0.11 0.00 0.00 41.96 40.65 3hbl s TYR 422 CO 0.48 0.00 1.20 -0.51 -1.11 0.00 0.00 175.55 175.62 3hbl s ASP 423 N -3.57 7.08 0.00 2.29 1.11 -1.26 -4.92 116.67 117.40 3hbl s ASP 423 Ca 0.31 2.11 0.00 0.00 0.18 0.00 0.00 52.55 55.15 3hbl s ASP 423 Cb 0.07 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.47 3hbl s ASP 423 CO 0.14 -0.43 0.38 -1.54 1.18 0.00 0.00 175.17 174.90 3hbl n SER 424 N 3.35 0.81 -4.54 0.27 3.41 -1.26 -4.87 113.62 110.79 3hbl n SER 424 Ca 0.07 -1.43 -0.38 0.00 -0.26 0.00 0.00 58.87 56.88 3hbl n SER 424 Cb 0.45 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 3hbl n SER 424 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hbl n LEU 425 N 0.18 1.81 0.01 1.04 7.94 -1.26 -3.38 117.00 123.33 3hbl n LEU 425 Ca 0.00 -0.30 -0.04 0.00 -1.11 0.00 0.00 56.01 54.56 3hbl n LEU 425 Cb 0.19 -1.41 -0.03 0.00 0.53 0.00 0.00 43.42 42.71 3hbl n LEU 425 CO 0.00 -1.32 0.11 -0.07 -1.11 0.00 0.00 177.39 175.00 3hbl h LEU 426 N 17.43 -0.11 -7.56 -1.96 3.38 -0.35 -2.57 115.31 123.58 3hbl h LEU 426 Ca -0.20 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3hbl h LEU 426 Cb 1.28 0.03 -0.26 0.00 0.09 0.00 0.00 40.66 41.80 3hbl h LEU 426 CO 1.21 0.43 -0.51 0.68 0.09 0.00 0.00 178.44 180.34 3hbl s VAL 427 N -2.13 0.00 -0.41 1.22 -7.23 -1.05 -1.01 120.40 109.79 3hbl s VAL 427 Ca -0.04 -0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 59.95 3hbl s VAL 427 Cb -0.00 -0.26 0.02 0.00 0.56 0.00 0.00 36.38 36.70 3hbl s VAL 427 CO 0.15 -0.01 0.33 -0.75 -0.31 0.00 0.00 175.10 174.51 3hbl s LYS 428 N 0.04 3.02 -0.24 4.82 2.20 -0.15 0.72 119.74 130.15 3hbl s LYS 428 Ca -0.01 -0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 54.58 3hbl s LYS 428 Cb -0.01 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 3hbl s LYS 428 CO 0.00 -0.76 0.09 -1.17 -0.36 0.00 0.00 175.35 173.15 3hbl s LEU 429 N 1.78 3.64 -0.09 5.43 2.96 -0.33 -0.94 118.68 131.13 3hbl s LEU 429 Ca 0.07 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3hbl s LEU 429 Cb -0.19 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3hbl s LEU 429 CO 0.11 0.01 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.64 3hbl s SER 430 N 1.33 1.89 0.21 3.68 0.01 -0.73 -1.60 113.70 118.49 3hbl s SER 430 Ca 0.05 -0.26 0.10 0.00 1.31 0.00 0.00 55.95 57.16 3hbl s SER 430 Cb -0.15 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.29 3hbl s SER 430 CO 0.04 -0.08 -0.14 0.42 0.41 0.00 0.00 173.24 173.88 3hbl s THR 431 N 1.41 2.86 -0.21 1.44 -4.23 -0.01 -0.97 115.64 115.93 3hbl s THR 431 Ca -0.01 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 3hbl s THR 431 Cb -0.13 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.35 3hbl s THR 431 CO -0.04 -0.19 0.51 -2.28 -0.54 0.00 0.00 174.62 172.08 3hbl s HIS 432 N -1.89 -0.80 0.20 3.99 5.04 -0.49 -1.02 115.29 120.33 3hbl s HIS 432 Ca 0.25 1.62 -0.23 0.00 -1.54 0.00 0.00 55.06 55.17 3hbl s HIS 432 Cb -0.08 0.41 0.05 0.00 0.04 0.00 0.00 32.58 33.00 3hbl s HIS 432 CO 0.14 -0.43 0.70 0.00 -2.34 0.00 0.00 174.74 172.81 3hbl s ALA 433 N 1.65 -1.45 -0.17 1.58 0.00 -0.68 -4.67 121.76 118.02 3hbl s ALA 433 Ca -0.09 0.13 0.26 0.00 0.00 0.00 0.00 51.96 52.26 3hbl s ALA 433 Cb -0.08 0.82 1.27 0.00 0.00 0.00 0.00 23.12 25.13 3hbl s ALA 433 CO -0.15 -0.91 1.78 -0.84 0.00 0.00 0.00 175.76 175.64 3hbl h ILE 434 N 2.00 0.00 -4.13 0.00 -0.00 -1.90 0.43 117.51 113.91 3hbl h ILE 434 Ca -0.26 -0.12 -0.53 0.00 -0.00 0.00 0.00 64.86 63.95 3hbl h ILE 434 Cb 1.27 0.78 -0.26 0.00 -0.00 0.00 0.00 36.82 38.62 3hbl h ILE 434 CO 0.30 0.00 -0.82 -0.94 -0.00 0.00 0.00 178.15 176.68 3hbl s SER 435 N -4.36 2.14 0.19 2.16 1.04 -1.26 -4.43 113.70 109.18 3hbl s SER 435 Ca -0.00 -0.48 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 3hbl s SER 435 Cb 0.08 -0.17 0.14 0.00 0.10 0.00 0.00 66.02 66.18 3hbl s SER 435 CO 0.31 0.12 1.62 0.15 0.98 0.00 0.00 173.24 176.43 3hbl h PHE 436 N 4.96 -0.52 -0.05 5.02 3.57 -1.87 -1.09 116.94 126.96 3hbl h PHE 436 Ca -0.40 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.17 3hbl h PHE 436 Cb 1.17 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 3hbl h PHE 436 CO 0.50 -0.30 -0.07 1.57 -2.23 0.00 0.00 178.31 177.79 3hbl h LYS 437 N -0.10 -0.10 -0.81 1.11 -0.00 -1.95 0.27 116.57 115.00 3hbl h LYS 437 Ca 0.23 0.01 0.09 0.00 -0.00 0.00 0.00 60.65 60.99 3hbl h LYS 437 Cb 0.46 0.02 -0.07 0.00 -0.00 0.00 0.00 32.23 32.64 3hbl h LYS 437 CO -0.56 -0.06 0.46 1.96 -0.00 0.00 0.00 179.45 181.24 3hbl h GLN 438 N -0.10 0.75 -0.86 0.07 4.20 -1.85 0.46 115.11 117.78 3hbl h GLN 438 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hbl h GLN 438 Cb 0.16 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3hbl h GLN 438 CO -0.11 0.49 0.47 0.00 -0.67 0.00 0.00 178.83 179.02 3hbl h ALA 439 N 1.45 1.10 -0.48 3.87 0.00 -0.67 -1.08 119.26 123.45 3hbl h ALA 439 Ca 0.39 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3hbl h ALA 439 Cb 0.37 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hbl h ALA 439 CO -0.25 0.61 0.06 1.49 0.00 0.00 0.00 179.25 181.16 3hbl h GLU 440 N 1.20 0.76 0.00 0.00 4.22 0.12 -1.89 114.58 119.00 3hbl h GLU 440 Ca 0.30 -0.18 -0.10 0.00 0.08 0.00 0.00 59.36 59.47 3hbl h GLU 440 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3hbl h GLU 440 CO -0.05 0.73 -0.48 0.93 -2.18 0.00 0.00 179.01 177.96 3hbl h GLU 441 N 0.72 0.00 -0.21 1.92 5.08 0.36 -1.79 114.58 120.67 3hbl h GLU 441 Ca 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3hbl h GLU 441 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3hbl h GLU 441 CO 0.01 0.48 -0.47 0.87 -1.00 0.00 0.00 179.01 178.90 3hbl h LYS 442 N 0.00 0.68 0.21 2.33 1.57 -0.98 -3.10 116.57 117.30 3hbl h LYS 442 Ca -0.00 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3hbl h LYS 442 Cb 0.87 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3hbl h LYS 442 CO 0.06 1.08 -0.10 1.98 -0.57 0.00 0.00 179.45 181.90 3hbl h MET 443 N 0.39 -0.28 -0.58 3.15 4.05 -1.19 -1.84 114.93 118.63 3hbl h MET 443 Ca -0.00 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3hbl h MET 443 Cb 1.09 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 3hbl h MET 443 CO 0.10 -0.09 0.29 -0.24 0.23 0.00 0.00 176.91 177.21 3hbl h VAL 444 N -0.42 1.19 -0.28 -5.77 3.04 -1.44 -1.62 116.25 110.95 3hbl h VAL 444 Ca -0.03 -0.50 -0.05 0.00 -1.01 0.00 0.00 66.70 65.10 3hbl h VAL 444 Cb 0.32 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.02 3hbl h VAL 444 CO 0.05 0.21 -0.04 -0.09 -1.01 0.00 0.00 177.57 176.70 3hbl h ARG 445 N 0.81 0.51 -0.43 4.17 2.43 -1.45 -0.70 114.38 119.73 3hbl h ARG 445 Ca 0.20 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3hbl h ARG 445 Cb 0.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3hbl h ARG 445 CO -0.03 0.70 0.24 0.77 -1.51 0.00 0.00 179.97 180.14 3hbl h SER 446 N 0.28 0.54 -0.71 -3.80 0.02 -0.90 0.16 113.55 109.14 3hbl h SER 446 Ca 0.07 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3hbl h SER 446 Cb 0.49 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3hbl h SER 446 CO 0.02 0.46 0.46 -0.07 -1.14 0.00 0.00 176.83 176.57 3hbl h LEU 447 N 0.57 0.80 -1.13 5.07 3.38 -1.29 -1.03 115.31 121.68 3hbl h LEU 447 Ca 0.15 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hbl h LEU 447 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hbl h LEU 447 CO -0.03 0.57 0.03 0.03 0.09 0.00 0.00 178.44 179.14 3hbl h ARG 448 N 0.94 0.64 -0.17 1.13 3.08 -0.62 -3.08 114.38 116.30 3hbl h ARG 448 Ca 0.26 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 3hbl h ARG 448 Cb -0.09 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.88 3hbl h ARG 448 CO -0.07 0.64 -0.76 0.93 -1.07 0.00 0.00 179.97 179.64 3hbl h GLU 449 N 0.61 0.81 -6.83 0.04 5.08 -0.31 -3.45 114.58 110.52 3hbl h GLU 449 Ca 0.13 -0.65 -0.53 0.00 -1.00 0.00 0.00 59.36 57.32 3hbl h GLU 449 Cb 0.34 0.13 0.07 0.00 0.50 0.00 0.00 28.75 29.79 3hbl h GLU 449 CO 0.01 1.26 0.72 -1.64 -1.00 0.00 0.00 179.01 178.36 3hbl s MET 450 N -3.78 4.26 -0.29 2.33 -1.94 -0.42 -4.89 119.30 114.57 3hbl s MET 450 Ca -0.10 2.33 -0.03 0.00 -1.71 0.00 0.00 55.69 56.18 3hbl s MET 450 Cb 0.09 -3.07 0.11 0.00 2.01 0.00 0.00 34.83 33.98 3hbl s MET 450 CO 0.91 -0.36 0.20 -0.98 -0.01 0.00 0.00 175.02 174.77 3hbl s ARG 451 N -1.21 0.25 -0.15 2.03 1.70 -1.10 -4.96 118.95 115.51 3hbl s ARG 451 Ca 0.54 -0.36 -0.06 0.00 -0.47 0.00 0.00 55.73 55.38 3hbl s ARG 451 Cb -0.42 -0.95 -0.04 0.00 -0.57 0.00 0.00 34.95 32.97 3hbl s ARG 451 CO 0.51 -1.02 0.05 0.42 -1.08 0.00 0.00 175.30 174.18 3hbl s ILE 452 N 2.21 4.75 0.04 4.99 1.01 -1.26 -3.27 121.20 129.67 3hbl s ILE 452 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3hbl s ILE 452 Cb -0.15 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3hbl s ILE 452 CO -0.35 0.53 -0.08 -0.13 0.00 0.00 0.00 174.94 174.91 3hbl s ARG 453 N -0.19 0.52 0.00 2.79 0.52 -1.12 -4.74 118.95 116.73 3hbl s ARG 453 Ca 0.07 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3hbl s ARG 453 Cb -0.12 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.07 3hbl s ARG 453 CO 0.01 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.79 3hbl n GLY 454 N 1.47 2.30 2.99 -3.53 0.00 -1.26 -1.98 105.19 105.19 3hbl n GLY 454 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3hbl n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbl s VAL 455 N -2.29 0.07 0.36 1.61 -7.23 -1.26 -4.72 120.40 106.93 3hbl s VAL 455 Ca 0.00 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.35 3hbl s VAL 455 Cb 0.00 -0.24 -0.09 0.00 0.56 0.00 0.00 36.38 36.61 3hbl s VAL 455 CO 0.00 -0.31 1.10 -0.54 -0.31 0.00 0.00 175.10 175.04 3hbl s LYS 456 N -0.94 4.31 0.29 4.82 3.01 -1.26 -4.98 119.74 124.99 3hbl s LYS 456 Ca -0.10 1.69 0.03 0.00 -1.01 0.00 0.00 55.97 56.58 3hbl s LYS 456 Cb -0.06 -2.80 -0.06 0.00 -1.01 0.00 0.00 37.83 33.90 3hbl s LYS 456 CO -0.00 -0.06 0.06 0.95 0.51 0.00 0.00 175.35 176.81 3hbl s THR 457 N -1.42 1.00 -2.21 2.17 -4.23 -1.26 -4.21 115.64 105.48 3hbl s THR 457 Ca 0.53 -2.01 0.21 0.00 -1.18 0.00 0.00 61.69 59.24 3hbl s THR 457 Cb -0.28 -2.69 0.50 0.00 1.34 0.00 0.00 72.50 71.37 3hbl s THR 457 CO 0.35 -0.04 1.64 -0.46 -0.54 0.00 0.00 174.62 175.56 3hbl n ASN 458 N -0.59 1.14 -0.05 3.99 6.94 -1.05 -4.44 115.26 121.21 3hbl n ASN 458 Ca -0.02 -1.58 -0.09 0.00 -0.02 0.00 0.00 54.58 52.87 3hbl n ASN 458 Cb 0.66 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.99 3hbl n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hbl h ILE 459 N 1.55 0.31 0.00 1.53 2.04 -1.91 -0.05 117.51 120.97 3hbl h ILE 459 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hbl h ILE 459 Cb 0.34 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hbl h ILE 459 CO 0.00 0.00 -0.02 -0.65 0.00 0.00 0.00 178.15 177.48 3hbl h PRO 460 N -0.31 0.00 0.02 2.37 0.11 -1.95 -0.94 132.00 131.30 3hbl h PRO 460 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3hbl h PRO 460 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3hbl h PRO 460 CO -0.41 0.02 -0.01 0.35 -0.21 0.00 0.00 178.00 177.74 3hbl h PHE 461 N 0.00 -0.02 -0.90 0.65 3.57 -1.50 -3.12 116.94 115.63 3hbl h PHE 461 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3hbl h PHE 461 Cb 0.13 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3hbl h PHE 461 CO 0.00 0.74 0.59 -0.07 -2.23 0.00 0.00 178.31 177.34 3hbl h LEU 462 N -0.85 1.02 -0.49 0.59 3.38 -0.36 -0.54 115.31 118.06 3hbl h LEU 462 Ca -0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hbl h LEU 462 Cb 0.77 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3hbl h LEU 462 CO 0.00 0.73 0.13 0.40 0.09 0.00 0.00 178.44 179.79 3hbl h ILE 463 N 1.20 0.76 -0.03 1.22 2.04 -1.33 -0.41 117.51 120.96 3hbl h ILE 463 Ca 0.33 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 3hbl h ILE 463 Cb -0.12 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3hbl h ILE 463 CO -0.08 0.05 -0.25 0.78 0.00 0.00 0.00 178.15 178.66 3hbl h ASN 464 N 0.27 0.05 0.26 1.72 2.35 -1.13 0.59 115.58 119.69 3hbl h ASN 464 Ca 0.24 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3hbl h ASN 464 Cb 0.31 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3hbl h ASN 464 CO -0.29 0.30 -0.12 0.58 -1.65 0.00 0.00 177.43 176.24 3hbl h VAL 465 N 0.05 0.80 -0.59 2.81 2.07 -0.44 -2.71 116.25 118.24 3hbl h VAL 465 Ca 0.01 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3hbl h VAL 465 Cb 0.47 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hbl h VAL 465 CO 0.03 0.10 0.24 0.24 0.02 0.00 0.00 177.57 178.20 3hbl h MET 466 N -0.59 0.85 0.00 1.57 2.86 -0.58 -2.29 114.93 116.75 3hbl h MET 466 Ca -0.04 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3hbl h MET 466 Cb 0.43 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3hbl h MET 466 CO 0.06 0.69 0.00 0.87 1.06 0.00 0.00 176.91 179.59 3hbl h LYS 467 N 0.84 0.00 -6.73 1.72 1.79 -0.95 -3.44 116.57 109.79 3hbl h LYS 467 Ca 0.20 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.16 3hbl h LYS 467 Cb 0.15 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.82 3hbl h LYS 467 CO -0.02 0.00 0.52 1.21 -1.08 0.00 0.00 179.45 180.08 3hbl s ASN 468 N -5.49 7.16 0.18 0.86 3.84 -0.86 -4.95 114.94 115.69 3hbl s ASN 468 Ca 0.06 2.26 -0.13 0.00 0.21 0.00 0.00 52.86 55.26 3hbl s ASN 468 Cb 0.08 -2.62 0.18 0.00 -0.55 0.00 0.00 41.25 38.34 3hbl s ASN 468 CO 0.59 -0.27 1.74 0.11 -2.79 0.00 0.00 177.10 176.48 3hbl h LYS 469 N 4.53 0.32 -0.15 0.43 1.57 -1.90 -2.52 116.57 118.85 3hbl h LYS 469 Ca -0.46 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3hbl h LYS 469 Cb 1.21 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3hbl h LYS 469 CO 0.71 0.21 -0.05 0.87 -0.57 0.00 0.00 179.45 180.62 3hbl h LYS 470 N 0.33 0.22 -0.10 3.15 1.57 -1.94 -2.39 116.57 117.42 3hbl h LYS 470 Ca 0.24 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 3hbl h LYS 470 Cb 0.27 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.55 3hbl h LYS 470 CO -0.26 0.29 -0.54 0.35 -0.57 0.00 0.00 179.45 178.72 3hbl h PHE 471 N 0.22 0.73 0.00 -1.35 3.04 -1.74 -3.33 116.94 114.51 3hbl h PHE 471 Ca 0.05 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 61.64 3hbl h PHE 471 Cb 0.23 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3hbl h PHE 471 CO 0.00 1.11 -0.15 1.79 -2.02 0.00 0.00 178.31 179.05 3hbl h THR 472 N 0.14 0.54 0.00 4.41 1.35 -1.18 -2.35 112.91 115.81 3hbl h THR 472 Ca -0.04 -0.70 -0.15 0.00 -0.55 0.00 0.00 66.41 64.97 3hbl h THR 472 Cb 1.19 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 3hbl h THR 472 CO 0.11 0.15 -0.71 0.77 -0.25 0.00 0.00 175.52 175.59 3hbl h SER 473 N 0.00 0.00 0.00 5.36 4.64 -1.62 -3.47 113.55 118.46 3hbl h SER 473 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 473 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hbl h SER 473 CO 0.02 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 3hbl n GLY 474 N 0.61 0.85 1.85 -0.77 0.00 -0.89 -4.82 105.19 102.02 3hbl n GLY 474 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3hbl n GLY 474 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 475 N 0.00 5.80 -4.91 1.61 9.92 -1.26 -4.50 116.55 123.21 3hbl n ASP 475 Ca 0.00 -3.03 -0.32 0.00 -0.53 0.00 0.00 54.79 50.91 3hbl n ASP 475 Cb 0.00 -0.97 -0.04 0.00 -0.64 0.00 0.00 41.12 39.47 3hbl n ASP 475 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3hbl s TYR 476 N -1.85 3.51 0.54 1.24 1.13 -1.26 -5.03 117.35 115.62 3hbl s TYR 476 Ca 0.32 0.41 0.02 0.00 -1.41 0.00 0.00 57.07 56.41 3hbl s TYR 476 Cb 0.25 -1.89 0.01 0.00 -1.10 0.00 0.00 41.96 39.24 3hbl s TYR 476 CO 0.01 0.53 0.15 0.95 -2.51 0.00 0.00 175.55 174.68 3hbl s THR 477 N -1.53 1.22 -1.09 -3.49 -4.23 -1.26 -4.80 115.64 100.45 3hbl s THR 477 Ca 0.36 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 3hbl s THR 477 Cb -0.13 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 71.75 3hbl s THR 477 CO 0.25 0.00 1.23 0.35 -0.54 0.00 0.00 174.62 175.91 3hbl n THR 478 N -1.48 1.31 1.26 3.99 -2.24 -0.12 -1.02 114.28 115.98 3hbl n THR 478 Ca -0.15 0.33 0.14 0.00 -2.27 0.00 0.00 64.05 62.10 3hbl n THR 478 Cb 0.66 -1.19 0.53 0.00 -2.10 0.00 0.00 70.33 68.23 3hbl n THR 478 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hbl n LYS 479 N -1.45 0.48 0.07 -0.78 4.76 -1.26 -4.48 118.16 115.50 3hbl n LYS 479 Ca 0.02 -0.18 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 3hbl n LYS 479 Cb 0.09 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 3hbl n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hbl h PHE 480 N 0.44 -1.01 -0.49 2.13 3.57 -1.37 -1.51 116.94 118.70 3hbl h PHE 480 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3hbl h PHE 480 Cb 0.42 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3hbl h PHE 480 CO 0.00 -0.45 0.30 0.82 -2.23 0.00 0.00 178.31 176.75 3hbl h ILE 481 N -0.53 1.07 -0.05 1.41 2.04 -1.80 -2.22 117.51 117.44 3hbl h ILE 481 Ca 0.05 -0.21 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 3hbl h ILE 481 Cb 0.61 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hbl h ILE 481 CO -0.27 0.11 -0.57 1.05 0.00 0.00 0.00 178.15 178.47 3hbl h GLU 482 N 0.61 0.15 0.00 2.37 4.11 -1.82 -2.92 114.58 117.08 3hbl h GLU 482 Ca 0.19 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3hbl h GLU 482 Cb -0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hbl h GLU 482 CO -0.08 0.68 0.00 0.93 0.07 0.00 0.00 179.01 180.61 3hbl h GLU 483 N 0.11 0.00 -4.12 1.06 5.08 -1.06 -3.40 114.58 112.25 3hbl h GLU 483 Ca -0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 3hbl h GLU 483 Cb 1.04 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.99 3hbl h GLU 483 CO 0.08 0.00 -0.32 0.99 -1.00 0.00 0.00 179.01 178.77 3hbl s THR 484 N -3.21 4.37 -0.63 1.13 2.01 -0.85 -4.93 115.64 113.52 3hbl s THR 484 Ca 0.08 -2.03 0.25 0.00 0.31 0.00 0.00 61.69 60.30 3hbl s THR 484 Cb 0.10 -3.84 0.30 0.00 0.01 0.00 0.00 72.50 69.07 3hbl s THR 484 CO 0.56 -0.83 1.73 1.55 -0.69 0.00 0.00 174.62 176.94 3hbl h PRO 485 N 8.18 0.00 0.00 4.92 0.13 -1.79 -3.28 132.00 140.16 3hbl h PRO 485 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3hbl h PRO 485 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3hbl h PRO 485 CO 0.83 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.75 3hbl n GLU 486 N -2.53 0.65 0.20 0.86 0.00 -1.26 -2.74 120.64 115.81 3hbl n GLU 486 Ca 0.05 0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.36 3hbl n GLU 486 Cb 0.46 -1.50 0.48 0.00 0.00 0.00 0.00 31.44 30.87 3hbl n GLU 486 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3hbl h LEU 487 N 0.00 0.00 -2.95 -1.84 3.38 -1.89 -2.91 115.31 109.10 3hbl h LEU 487 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hbl h LEU 487 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hbl h LEU 487 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3hbl n PHE 488 N -2.74 1.03 -2.22 1.13 3.01 -1.11 -4.71 117.46 111.86 3hbl n PHE 488 Ca 0.03 -0.56 -0.39 0.00 1.01 0.00 0.00 57.45 57.53 3hbl n PHE 488 Cb 0.36 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.70 3hbl n PHE 488 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3hbl n ASP 489 N 1.07 4.16 -4.23 4.37 -0.08 -1.10 -4.92 116.55 115.81 3hbl n ASP 489 Ca 0.22 -2.84 -0.33 0.00 -1.51 0.00 0.00 54.79 50.33 3hbl n ASP 489 Cb 0.69 -1.69 -0.16 0.00 2.34 0.00 0.00 41.12 42.31 3hbl n ASP 489 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3hbl s ILE 490 N 5.72 2.44 0.08 5.18 1.01 -1.26 -5.06 121.20 129.30 3hbl s ILE 490 Ca 0.56 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 3hbl s ILE 490 Cb 0.05 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3hbl s ILE 490 CO 0.07 0.53 0.43 -1.10 0.00 0.00 0.00 174.94 174.87 3hbl s GLN 491 N 0.80 3.82 -0.34 2.79 1.11 -1.26 -5.01 119.66 121.57 3hbl s GLN 491 Ca -0.06 0.26 -0.30 0.00 0.01 0.00 0.00 55.36 55.27 3hbl s GLN 491 Cb -0.15 -3.02 -0.08 0.00 -1.01 0.00 0.00 33.01 28.75 3hbl s GLN 491 CO -0.01 0.56 2.28 -0.35 0.01 0.00 0.00 175.29 177.78 3hbl n PRO 492 N 1.01 1.44 -1.82 2.91 -0.04 -1.26 -4.85 135.00 132.38 3hbl n PRO 492 Ca -0.08 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 3hbl n PRO 492 Cb 0.52 -2.99 -0.03 0.00 -0.04 0.00 0.00 33.50 30.96 3hbl n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hbl s SER 493 N 8.88 6.13 0.72 3.54 0.15 -1.26 -4.97 113.70 126.89 3hbl s SER 493 Ca 1.04 2.03 -0.15 0.00 0.70 0.00 0.00 55.95 59.58 3hbl s SER 493 Cb -0.49 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.33 3hbl s SER 493 CO 0.38 -1.40 1.20 -1.48 1.20 0.00 0.00 173.24 173.14 3hbl s LEU 494 N 5.89 3.33 -0.46 3.45 -0.00 -1.26 -5.04 118.68 124.59 3hbl s LEU 494 Ca 0.85 2.33 0.07 0.00 -0.00 0.00 0.00 54.13 57.39 3hbl s LEU 494 Cb -0.33 -4.59 0.18 0.00 -0.00 0.00 0.00 46.19 41.46 3hbl s LEU 494 CO 0.35 -2.20 0.66 -0.62 -0.00 0.00 0.00 176.35 174.53 3hbl s ASP 495 N -2.06 -1.27 0.01 1.48 2.15 -1.26 -5.04 116.67 110.68 3hbl s ASP 495 Ca 0.74 -1.35 -0.22 0.00 0.43 0.00 0.00 52.55 52.15 3hbl s ASP 495 Cb -0.29 1.79 -0.18 0.00 -0.30 0.00 0.00 42.92 43.95 3hbl s ASP 495 CO 0.45 -0.12 1.26 0.03 -0.17 0.00 0.00 175.17 176.62 3hbl h ARG 496 N 6.01 0.24 -0.74 4.34 -0.00 -1.97 -3.27 114.38 118.99 3hbl h ARG 496 Ca 0.06 -0.15 0.17 0.00 -0.50 0.00 0.00 59.98 59.56 3hbl h ARG 496 Cb 1.13 0.02 -0.12 0.00 0.00 0.00 0.00 29.97 31.00 3hbl h ARG 496 CO 0.07 0.73 0.14 0.78 0.00 0.00 0.00 179.97 181.69 3hbl h GLY 497 N -0.22 0.98 0.83 0.04 0.00 -1.98 -1.14 103.07 101.59 3hbl h GLY 497 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3hbl h GLY 497 CO 0.03 -0.23 -0.35 -0.84 0.00 0.00 0.00 176.54 175.15 3hbl h THR 498 N 0.22 1.36 -0.57 4.70 2.02 -2.00 -3.05 112.91 115.59 3hbl h THR 498 Ca 0.42 -1.63 0.08 0.00 0.77 0.00 0.00 66.41 66.05 3hbl h THR 498 Cb 0.73 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3hbl h THR 498 CO -0.55 0.49 0.38 0.11 0.37 0.00 0.00 175.52 176.32 3hbl h LYS 499 N 0.10 0.43 -0.23 6.66 1.57 -1.37 -0.74 116.57 122.98 3hbl h LYS 499 Ca -0.00 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3hbl h LYS 499 Cb 0.96 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3hbl h LYS 499 CO 0.08 0.28 -0.17 1.15 -0.57 0.00 0.00 179.45 180.22 3hbl h THR 500 N 0.44 1.31 -0.27 -0.16 2.02 -1.26 -2.80 112.91 112.20 3hbl h THR 500 Ca 0.26 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 3hbl h THR 500 Cb 0.43 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3hbl h THR 500 CO -0.07 0.40 0.09 -0.07 0.37 0.00 0.00 175.52 176.24 3hbl h LEU 501 N 0.23 0.34 -1.04 2.58 3.38 -1.18 -1.62 115.31 117.99 3hbl h LEU 501 Ca 0.05 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3hbl h LEU 501 Cb 0.69 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3hbl h LEU 501 CO 0.04 0.33 -0.41 -0.33 0.09 0.00 0.00 178.44 178.16 3hbl h GLU 502 N 0.38 0.14 0.02 1.13 5.08 -1.11 0.07 114.58 120.28 3hbl h GLU 502 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3hbl h GLU 502 Cb 0.11 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hbl h GLU 502 CO -0.01 0.53 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.60 3hbl h TYR 503 N 0.12 -0.02 -0.85 4.33 5.03 -1.05 -2.23 116.97 122.29 3hbl h TYR 503 Ca 0.01 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.33 3hbl h TYR 503 Cb 0.78 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.02 3hbl h TYR 503 CO 0.01 0.74 0.56 0.82 -1.32 0.00 0.00 178.16 178.97 3hbl h ILE 504 N -0.86 1.21 -0.57 1.81 2.04 -1.41 -1.61 117.51 118.12 3hbl h ILE 504 Ca -0.00 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.58 3hbl h ILE 504 Cb 0.77 -0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 3hbl h ILE 504 CO 0.00 0.21 0.05 1.23 0.00 0.00 0.00 178.15 179.64 3hbl h GLY 505 N 1.15 0.65 0.57 5.37 0.00 -1.03 -1.43 103.07 108.34 3hbl h GLY 505 Ca 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3hbl h GLY 505 CO -0.07 -0.15 -0.01 -0.57 0.00 0.00 0.00 176.54 175.73 3hbl h ASN 506 N 0.17 -0.03 -0.36 0.19 -0.73 -0.74 -3.02 115.58 111.05 3hbl h ASN 506 Ca 0.30 -0.41 -0.03 0.00 1.87 0.00 0.00 56.30 58.02 3hbl h ASN 506 Cb 0.46 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3hbl h ASN 506 CO -0.44 0.40 0.12 0.58 -0.37 0.00 0.00 177.43 177.71 3hbl h VAL 507 N -0.47 1.18 -0.53 2.57 2.07 -1.23 0.54 116.25 120.38 3hbl h VAL 507 Ca -0.00 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 3hbl h VAL 507 Cb 0.44 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3hbl h VAL 507 CO 0.01 0.24 0.20 0.74 0.02 0.00 0.00 177.57 178.77 3hbl h THR 508 N 0.62 1.22 0.00 2.57 2.02 -1.31 -0.72 112.91 117.31 3hbl h THR 508 Ca 0.14 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 3hbl h THR 508 Cb 0.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3hbl h THR 508 CO -0.01 0.27 -0.52 0.40 0.37 0.00 0.00 175.52 176.03 3hbl h ILE 509 N 0.73 0.61 0.00 3.11 2.04 -1.35 -3.41 117.51 119.23 3hbl h ILE 509 Ca 0.18 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3hbl h ILE 509 Cb 0.22 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3hbl h ILE 509 CO -0.01 0.21 -0.98 0.59 0.00 0.00 0.00 178.15 177.96 3hbl n ASN 510 N -4.60 0.69 -0.08 1.72 3.02 0.18 -4.95 115.26 111.25 3hbl n ASN 510 Ca -0.13 -0.50 0.01 0.00 -0.03 0.00 0.00 54.58 53.92 3hbl n ASN 510 Cb 0.37 0.85 -0.00 0.00 -0.61 0.00 0.00 39.78 40.38 3hbl n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 511 N 1.44 -1.36 3.70 7.41 0.00 -0.28 -4.96 105.19 111.14 3hbl n GLY 511 Ca 0.03 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3hbl n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 512 N -1.15 3.13 0.22 1.61 5.36 -1.26 -4.60 117.98 121.28 3hbl s PHE 512 Ca 0.00 0.12 -0.31 0.00 -0.96 0.00 0.00 56.93 55.77 3hbl s PHE 512 Cb 0.00 -1.70 -0.14 0.00 -0.34 0.00 0.00 43.02 40.84 3hbl s PHE 512 CO 0.00 0.48 1.30 -2.30 -1.46 0.00 0.00 175.22 173.24 3hbl n PRO 513 N 1.45 1.71 -4.14 10.12 -0.02 -1.26 -3.21 135.00 139.66 3hbl n PRO 513 Ca -0.15 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 3hbl n PRO 513 Cb 0.53 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 3hbl n PRO 513 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3hbl n ASN 515 N 2.02 -1.16 -3.92 2.55 0.23 -1.26 -4.96 115.26 108.77 3hbl n ASN 515 Ca 0.12 -1.09 -0.22 0.00 -0.53 0.00 0.00 54.58 52.86 3hbl n ASN 515 Cb 0.29 -1.39 -0.17 0.00 -2.08 0.00 0.00 39.78 36.44 3hbl n ASN 515 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3hbl s VAL 516 N -3.17 0.74 -0.49 3.53 1.01 -1.20 -4.95 120.40 115.87 3hbl s VAL 516 Ca 0.60 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 3hbl s VAL 516 Cb -0.35 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 3hbl s VAL 516 CO 0.89 0.28 2.40 -0.70 0.00 0.00 0.00 175.10 177.97 3hbl s GLU 517 N 1.05 2.10 -0.83 2.72 2.12 -1.26 -4.62 118.70 119.98 3hbl s GLU 517 Ca -0.08 1.39 -0.22 0.00 0.36 0.00 0.00 54.97 56.42 3hbl s GLU 517 Cb -0.14 -4.58 -0.20 0.00 0.26 0.00 0.00 34.13 29.47 3hbl s GLU 517 CO -0.00 -3.28 2.38 1.17 -0.54 0.00 0.00 175.26 174.99 3hbl n LYS 518 N 9.02 0.39 -4.18 4.30 3.00 -1.26 -4.82 118.16 124.60 3hbl n LYS 518 Ca 0.36 -0.31 -0.15 0.00 -0.00 0.00 0.00 58.31 58.22 3hbl n LYS 518 Cb 0.55 -2.50 -0.08 0.00 0.00 0.00 0.00 35.03 33.00 3hbl n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3hbl s ARG 519 N 8.25 1.59 0.92 1.64 1.70 -1.26 -5.15 118.95 126.64 3hbl s ARG 519 Ca 1.12 -1.76 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 3hbl s ARG 519 Cb -0.53 0.35 0.11 0.00 -0.57 0.00 0.00 34.95 34.31 3hbl s ARG 519 CO 0.32 -0.60 0.93 -2.30 -1.08 0.00 0.00 175.30 172.57 3hbl n PRO 520 N -0.47 -0.38 -1.57 3.89 -0.02 -1.26 -4.87 135.00 130.32 3hbl n PRO 520 Ca 0.03 -0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.02 3hbl n PRO 520 Cb 0.63 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 3hbl n PRO 520 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hbl n LYS 521 N -3.43 1.78 -1.86 -0.52 3.00 -1.26 -4.90 118.16 110.96 3hbl n LYS 521 Ca 0.10 0.47 -0.38 0.00 -0.00 0.00 0.00 58.31 58.50 3hbl n LYS 521 Cb 0.52 -3.12 0.03 0.00 0.00 0.00 0.00 35.03 32.46 3hbl n LYS 521 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3hbl s PRO 522 N 6.44 3.26 0.11 1.64 0.02 -1.26 -4.92 135.00 140.29 3hbl s PRO 522 Ca 1.02 2.17 -0.31 0.00 0.02 0.00 0.00 61.00 63.90 3hbl s PRO 522 Cb -0.41 -2.30 -0.08 0.00 0.02 0.00 0.00 34.50 31.73 3hbl s PRO 522 CO 0.37 -1.07 1.43 0.34 -0.33 0.00 0.00 177.00 177.73 3hbl s ASP 523 N -1.00 6.78 0.08 2.53 3.68 -1.26 -5.02 116.67 122.45 3hbl s ASP 523 Ca 0.70 2.37 0.09 0.00 2.13 0.00 0.00 52.55 57.84 3hbl s ASP 523 Cb -0.39 -2.59 -0.03 0.00 -1.45 0.00 0.00 42.92 38.47 3hbl s ASP 523 CO 0.46 -0.69 -0.24 -0.31 0.13 0.00 0.00 175.17 174.51 3hbl s TYR 524 N 1.25 2.11 0.20 -5.34 1.51 -1.26 -5.13 117.35 110.69 3hbl s TYR 524 Ca 0.66 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 3hbl s TYR 524 Cb -0.38 -1.21 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 3hbl s TYR 524 CO 0.30 0.19 1.06 -1.21 -1.11 0.00 0.00 175.55 174.78 3hbl s GLU 525 N -1.55 4.66 0.20 -0.62 2.02 -1.26 -4.99 118.70 117.16 3hbl s GLU 525 Ca 0.10 1.67 -0.31 0.00 0.02 0.00 0.00 54.97 56.45 3hbl s GLU 525 Cb -0.10 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.76 3hbl s GLU 525 CO 0.03 0.20 1.60 -1.17 0.02 0.00 0.00 175.26 175.94 3hbl s LEU 526 N -0.70 4.37 -0.06 1.80 1.98 -1.26 -4.99 118.68 119.81 3hbl s LEU 526 Ca 0.47 2.73 -0.15 0.00 -2.89 0.00 0.00 54.13 54.29 3hbl s LEU 526 Cb -0.29 -3.60 -0.05 0.00 0.66 0.00 0.00 46.19 42.91 3hbl s LEU 526 CO 0.35 -0.86 0.38 0.00 -1.89 0.00 0.00 176.35 174.32 3hbl s ALA 527 N 0.88 3.65 -0.80 5.97 0.00 -1.26 -5.04 121.76 125.16 3hbl s ALA 527 Ca 0.69 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 3hbl s ALA 527 Cb -0.46 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.42 3hbl s ALA 527 CO 0.35 0.33 0.89 -1.54 0.00 0.00 0.00 175.76 175.79 3hbl s SER 528 N -0.46 6.56 -0.49 0.00 1.04 -1.26 -5.01 113.70 114.08 3hbl s SER 528 Ca 0.22 -2.10 -0.28 0.00 0.48 0.00 0.00 55.95 54.27 3hbl s SER 528 Cb -0.15 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3hbl s SER 528 CO 0.10 -0.91 1.53 -0.63 0.98 0.00 0.00 173.24 174.31 3hbl s ILE 529 N 1.83 3.71 0.34 -1.02 1.01 -1.26 -4.91 121.20 120.90 3hbl s ILE 529 Ca 0.22 0.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.23 3hbl s ILE 529 Cb -0.12 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 3hbl s ILE 529 CO -0.05 -0.90 1.44 -2.84 0.00 0.00 0.00 174.94 172.59 3hbl s PRO 530 N 5.58 4.20 0.11 2.79 0.02 -1.26 -5.03 135.00 141.41 3hbl s PRO 530 Ca 0.61 2.44 0.09 0.00 0.02 0.00 0.00 61.00 64.16 3hbl s PRO 530 Cb -0.14 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3hbl s PRO 530 CO 0.28 -0.44 -0.22 0.99 -0.33 0.00 0.00 177.00 177.28 3hbl s THR 531 N -0.87 1.82 -0.02 0.99 2.01 -1.26 -4.31 115.64 114.00 3hbl s THR 531 Ca 0.54 -1.60 0.04 0.00 0.31 0.00 0.00 61.69 60.97 3hbl s THR 531 Cb -0.44 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 3hbl s THR 531 CO 0.56 -0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 3hbl s VAL 532 N -1.19 1.11 0.23 3.82 1.01 -1.26 -4.84 120.40 119.27 3hbl s VAL 532 Ca 0.08 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.17 3hbl s VAL 532 Cb -0.10 -0.94 -0.13 0.00 0.00 0.00 0.00 36.38 35.22 3hbl s VAL 532 CO 0.05 0.32 1.61 -0.24 0.00 0.00 0.00 175.10 176.83 3hbl n SER 533 N 2.89 3.56 0.02 3.32 2.88 -1.26 -4.82 113.62 120.20 3hbl n SER 533 Ca -0.15 1.10 -0.01 0.00 -1.33 0.00 0.00 58.87 58.47 3hbl n SER 533 Cb 0.55 -1.52 0.26 0.00 -0.75 0.00 0.00 64.21 62.74 3hbl n SER 533 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3hbl h SER 534 N 5.62 0.46 0.06 -3.46 4.64 -1.99 -0.53 113.55 118.35 3hbl h SER 534 Ca -0.45 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 60.67 3hbl h SER 534 Cb 1.23 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3hbl h SER 534 CO 0.86 0.63 -0.27 0.77 -0.87 0.00 0.00 176.83 177.95 3hbl h SER 535 N 0.44 0.33 -0.29 4.97 4.64 -1.99 -1.44 113.55 120.21 3hbl h SER 535 Ca 0.08 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3hbl h SER 535 Cb 0.49 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3hbl h SER 535 CO 0.03 0.60 0.07 0.50 -0.87 0.00 0.00 176.83 177.16 3hbl h LYS 536 N 0.29 0.46 -0.35 4.77 3.64 -1.67 -3.05 116.57 120.66 3hbl h LYS 536 Ca 0.04 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3hbl h LYS 536 Cb 0.63 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 3hbl h LYS 536 CO 0.05 0.54 -0.22 0.82 -2.27 0.00 0.00 179.45 178.37 3hbl h ILE 537 N 0.30 0.40 -0.08 2.00 1.08 -0.77 -1.11 117.51 119.33 3hbl h ILE 537 Ca 0.09 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.58 3hbl h ILE 537 Cb 0.28 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.43 3hbl h ILE 537 CO 0.00 0.00 0.21 0.00 -0.69 0.00 0.00 178.15 177.67 3hbl h ALA 538 N 1.02 1.44 -0.00 1.87 0.00 -1.21 -1.36 119.26 121.03 3hbl h ALA 538 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hbl h ALA 538 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hbl h ALA 538 CO -0.45 -0.25 -0.09 -1.13 0.00 0.00 0.00 179.25 177.32 3hbl n SER 538 N -3.27 0.19 -4.85 0.00 3.41 -0.42 -4.88 113.62 103.80 3hbl n SER 538 Ca -0.01 -0.06 -0.32 0.00 -0.26 0.00 0.00 58.87 58.23 3hbl n SER 538 Cb 0.29 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3hbl n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hbl s PHE 538 N -2.74 3.48 -0.34 7.33 2.99 -0.51 -5.05 117.98 123.13 3hbl s PHE 538 Ca 0.22 1.43 0.01 0.00 0.00 0.00 0.00 56.93 58.58 3hbl s PHE 538 Cb 0.19 -2.78 0.11 0.00 0.00 0.00 0.00 43.02 40.55 3hbl s PHE 538 CO 0.52 -0.41 0.12 0.45 -0.00 0.00 0.00 175.22 175.90 3hbl s SER 539 N -3.24 4.05 0.00 1.36 0.15 -1.26 -4.96 113.70 109.80 3hbl s SER 539 Ca 0.58 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 55.30 3hbl s SER 539 Cb -0.10 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 3hbl s SER 539 CO 0.35 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.02 3hbl n GLY 540 N 4.48 2.99 0.24 9.45 0.00 -1.25 -4.97 105.19 116.13 3hbl n GLY 540 Ca 0.01 -2.10 0.16 0.00 0.00 0.00 0.00 46.02 44.09 3hbl n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hbl h THR 541 N 0.16 0.00 0.10 2.61 1.35 -1.70 -2.41 112.91 113.02 3hbl h THR 541 Ca 0.00 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3hbl h THR 541 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3hbl h THR 541 CO 0.00 0.00 -0.05 0.50 -0.25 0.00 0.00 175.52 175.72 3hbl h LYS 542 N 0.00 -0.12 -0.65 4.72 3.11 -1.27 -2.66 116.57 119.69 3hbl h LYS 542 Ca 0.00 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3hbl h LYS 542 Cb 0.33 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 3hbl h LYS 542 CO 0.00 0.29 0.38 1.96 -2.81 0.00 0.00 179.45 179.27 3hbl h GLN 543 N -0.57 0.88 -0.47 1.90 1.08 -1.65 -1.83 115.11 114.44 3hbl h GLN 543 Ca -0.01 -0.08 0.09 0.00 -1.45 0.00 0.00 58.65 57.20 3hbl h GLN 543 Cb 0.47 -0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 3hbl h GLN 543 CO 0.02 0.62 -0.06 1.25 -0.95 0.00 0.00 178.83 179.71 3hbl h LEU 544 N 0.89 -0.33 -0.34 1.46 5.85 -1.40 -0.36 115.31 121.08 3hbl h LEU 544 Ca 0.23 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 3hbl h LEU 544 Cb -0.02 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hbl h LEU 544 CO -0.04 -0.12 0.21 0.25 -0.34 0.00 0.00 178.44 178.40 3hbl h LEU 545 N 0.05 0.41 -2.50 2.25 5.85 -0.98 -0.05 115.31 120.34 3hbl h LEU 545 Ca 0.23 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hbl h LEU 545 Cb 0.35 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3hbl h LEU 545 CO -0.44 0.35 -0.02 0.44 -0.34 0.00 0.00 178.44 178.43 3hbl h ASP 546 N 0.44 0.00 0.00 1.25 3.32 -0.91 0.92 116.42 121.44 3hbl h ASP 546 Ca 0.12 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.96 3hbl h ASP 546 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3hbl h ASP 546 CO -0.02 0.02 -1.18 -0.33 -1.72 0.00 0.00 179.24 176.01 3hbl h GLU 547 N 0.00 0.00 -0.00 3.56 4.39 -0.37 -3.43 114.58 118.73 3hbl h GLU 547 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hbl h GLU 547 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3hbl h GLU 547 CO 0.00 0.91 -0.01 1.33 -1.16 0.00 0.00 179.01 180.08 3hbl n VAL 548 N -4.45 0.00 -0.42 3.13 0.24 -0.10 -5.10 118.33 111.62 3hbl n VAL 548 Ca -0.30 -0.49 0.06 0.00 -2.04 0.00 0.00 64.34 61.57 3hbl n VAL 548 Cb 0.64 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 34.05 3hbl n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbl n GLY 549 N 0.27 -1.84 0.31 7.63 0.00 0.32 -3.42 105.19 108.45 3hbl n GLY 549 Ca 0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 3hbl n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hbl h PRO 550 N -0.40 1.07 -0.68 1.61 0.13 -1.80 -2.32 132.00 129.60 3hbl h PRO 550 Ca -0.01 -0.08 0.07 0.00 -0.87 0.00 0.00 66.00 65.11 3hbl h PRO 550 Cb 0.39 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.23 3hbl h PRO 550 CO 0.01 0.73 0.36 0.87 -0.23 0.00 0.00 178.00 179.74 3hbl h LYS 551 N 1.09 0.64 0.00 0.86 1.79 -1.92 -2.41 116.57 116.61 3hbl h LYS 551 Ca 0.29 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.65 3hbl h LYS 551 Cb -0.09 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 3hbl h LYS 551 CO -0.06 0.42 -0.36 0.78 -1.08 0.00 0.00 179.45 179.15 3hbl h GLY 552 N 0.66 0.00 0.76 3.86 0.00 -1.48 -2.96 103.07 103.91 3hbl h GLY 552 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 3hbl h GLY 552 CO -0.21 0.00 -0.04 -2.08 0.00 0.00 0.00 176.54 174.21 3hbl h VAL 553 N 0.00 1.29 -1.00 4.60 2.07 -0.92 0.65 116.25 122.95 3hbl h VAL 553 Ca -0.00 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3hbl h VAL 553 Cb 0.78 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 3hbl h VAL 553 CO 0.05 0.29 0.65 0.00 0.02 0.00 0.00 177.57 178.58 3hbl h ALA 554 N 0.71 1.34 0.07 1.67 0.00 -1.54 0.12 119.26 121.64 3hbl h ALA 554 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hbl h ALA 554 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hbl h ALA 554 CO 0.01 0.51 -0.11 0.93 0.00 0.00 0.00 179.25 180.59 3hbl h GLU 555 N 1.23 -0.22 -0.90 0.00 4.39 -1.33 -2.32 114.58 115.43 3hbl h GLU 555 Ca 0.41 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 3hbl h GLU 555 Cb 0.06 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3hbl h GLU 555 CO -0.14 -0.15 0.52 2.35 -1.16 0.00 0.00 179.01 180.43 3hbl h TRP 556 N -0.23 1.22 -0.91 4.33 7.01 -0.24 -2.43 115.95 124.69 3hbl h TRP 556 Ca 0.02 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.04 3hbl h TRP 556 Cb 0.25 -0.39 -0.05 0.00 -2.10 0.00 0.00 29.16 26.86 3hbl h TRP 556 CO -0.14 0.83 0.59 0.28 -2.79 0.00 0.00 178.44 177.21 3hbl h VAL 557 N 1.26 1.15 -0.61 2.65 2.07 -0.62 -2.07 116.25 120.07 3hbl h VAL 557 Ca 0.32 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hbl h VAL 557 Cb -0.01 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.64 3hbl h VAL 557 CO -0.06 0.21 0.37 0.11 0.02 0.00 0.00 177.57 178.22 3hbl h LYS 558 N 1.14 0.82 0.00 1.57 1.57 -0.92 -2.57 116.57 118.18 3hbl h LYS 558 Ca 0.37 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3hbl h LYS 558 Cb 0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3hbl h LYS 558 CO -0.12 0.58 -0.03 0.87 -0.57 0.00 0.00 179.45 180.17 3hbl h LYS 559 N 0.84 0.00 -6.07 3.15 1.57 -1.20 -3.44 116.57 111.42 3hbl h LYS 559 Ca 0.22 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.42 3hbl h LYS 559 Cb -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3hbl h LYS 559 CO -0.04 0.03 0.78 -0.65 -0.57 0.00 0.00 179.45 179.00 3hbl s GLN 560 N -3.46 4.25 0.26 3.15 -1.52 -0.97 -4.92 119.66 116.45 3hbl s GLN 560 Ca 0.04 1.33 0.21 0.00 -1.95 0.00 0.00 55.36 54.99 3hbl s GLN 560 Cb 0.07 -3.64 0.08 0.00 -0.22 0.00 0.00 33.01 29.30 3hbl s GLN 560 CO 0.61 -0.63 1.22 0.22 -0.25 0.00 0.00 175.29 176.46 3hbl h ASP 561 N 7.47 0.00 -3.41 5.90 1.82 -1.86 -3.46 116.42 122.88 3hbl h ASP 561 Ca -0.19 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.02 3hbl h ASP 561 Cb 1.06 0.00 0.20 0.00 0.68 0.00 0.00 39.33 41.27 3hbl h ASP 561 CO 0.97 0.16 0.05 -1.81 -1.61 0.00 0.00 179.24 177.00 3hbl s ASP 562 N -5.80 1.15 -0.24 2.28 1.11 -1.26 -4.80 116.67 109.10 3hbl s ASP 562 Ca 0.02 1.25 -0.13 0.00 0.18 0.00 0.00 52.55 53.86 3hbl s ASP 562 Cb 0.08 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 42.10 3hbl s ASP 562 CO 0.75 -4.06 0.29 -0.69 1.18 0.00 0.00 175.17 172.65 3hbl s VAL 563 N -2.64 5.26 0.26 -1.27 1.01 -0.47 -4.96 120.40 117.60 3hbl s VAL 563 Ca 0.68 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 3hbl s VAL 563 Cb -0.21 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 3hbl s VAL 563 CO 0.61 0.26 0.68 -0.76 0.00 0.00 0.00 175.10 175.89 3hbl s LEU 564 N 1.49 4.18 -0.11 3.92 1.43 -0.83 -1.52 118.68 127.23 3hbl s LEU 564 Ca 0.13 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 3hbl s LEU 564 Cb -0.15 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 3hbl s LEU 564 CO 0.08 -0.09 -0.18 -0.22 0.23 0.00 0.00 176.35 176.16 3hbl s LEU 565 N -2.61 2.45 -0.21 1.79 0.20 -1.26 -1.87 118.68 117.16 3hbl s LEU 565 Ca 0.49 -0.42 -0.03 0.00 0.69 0.00 0.00 54.13 54.86 3hbl s LEU 565 Cb -0.12 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 3hbl s LEU 565 CO 0.19 0.18 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.48 3hbl s THR 566 N 0.25 3.22 0.07 3.68 2.01 -0.49 -0.62 115.64 123.78 3hbl s THR 566 Ca -0.12 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 3hbl s THR 566 Cb -0.16 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 3hbl s THR 566 CO 0.07 0.44 0.65 -0.62 -0.69 0.00 0.00 174.62 174.47 3hbl s ASP 567 N 1.40 7.14 0.00 3.53 2.15 -1.03 -1.37 116.67 128.50 3hbl s ASP 567 Ca 0.05 1.36 0.03 0.00 0.43 0.00 0.00 52.55 54.42 3hbl s ASP 567 Cb -0.14 -2.41 0.05 0.00 -0.30 0.00 0.00 42.92 40.12 3hbl s ASP 567 CO -0.04 0.18 0.77 0.35 -0.17 0.00 0.00 175.17 176.26 3hbl n THR 568 N 2.09 0.36 -0.29 1.71 -2.24 -0.74 0.02 114.28 115.19 3hbl n THR 568 Ca -0.07 -0.68 0.07 0.00 -2.27 0.00 0.00 64.05 61.10 3hbl n THR 568 Cb 0.50 0.86 0.22 0.00 -2.10 0.00 0.00 70.33 69.81 3hbl n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hbl h THR 569 N 0.60 0.70 0.00 4.28 2.02 -1.81 -0.16 112.91 118.54 3hbl h THR 569 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3hbl h THR 569 Cb 0.29 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3hbl h THR 569 CO 0.00 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.48 3hbl n PHE 570 N -4.91 0.57 0.00 3.16 3.72 -1.26 -4.20 117.46 114.54 3hbl n PHE 570 Ca 0.17 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 3hbl n PHE 570 Cb 0.44 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 3hbl n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hbl n ARG 571 N -2.00 0.00 0.11 -1.08 0.00 -0.37 -4.72 116.66 108.60 3hbl n ARG 571 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.96 3hbl n ARG 571 Cb 0.28 0.00 0.53 0.00 0.00 0.00 0.00 32.46 33.28 3hbl n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hbl h ASP 572 N 0.00 0.24 0.24 6.15 -0.00 -1.55 -2.48 116.42 119.02 3hbl h ASP 572 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 3hbl h ASP 572 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.27 3hbl h ASP 572 CO 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 179.24 179.30 3hbl h ALA 573 N 1.86 -0.32 0.00 -0.78 0.00 -1.30 -0.67 119.26 118.05 3hbl h ALA 573 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hbl h ALA 573 Cb 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hbl h ALA 573 CO -0.02 -0.66 -0.08 1.12 0.00 0.00 0.00 179.25 179.62 3hbl h HIS 574 N -0.36 0.00 -0.47 0.00 2.07 -1.69 -1.36 115.15 113.34 3hbl h HIS 574 Ca -0.03 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.42 3hbl h HIS 574 Cb 0.28 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.24 3hbl h HIS 574 CO -0.05 0.02 0.03 0.37 -3.07 0.00 0.00 177.93 175.23 3hbl h GLN 575 N 0.00 0.75 0.00 5.12 4.15 -1.30 0.36 115.11 124.18 3hbl h GLN 575 Ca -0.00 -0.18 -0.17 0.00 0.77 0.00 0.00 58.65 59.07 3hbl h GLN 575 Cb 1.02 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 3hbl h GLN 575 CO 0.00 0.74 -0.81 0.77 -1.93 0.00 0.00 178.83 177.61 3hbl h SER 576 N 0.71 0.00 0.00 -0.69 0.02 -0.69 -3.36 113.55 109.54 3hbl h SER 576 Ca 0.15 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3hbl h SER 576 Cb 0.39 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3hbl h SER 576 CO 0.01 0.81 -1.50 0.18 -1.14 0.00 0.00 176.83 175.19 3hbl n LEU 577 N -3.42 0.25 -1.98 5.07 4.77 -0.55 -4.02 117.00 117.12 3hbl n LEU 577 Ca 0.00 -0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3hbl n LEU 577 Cb 0.82 0.14 0.06 0.00 -2.33 0.00 0.00 43.42 42.11 3hbl n LEU 577 CO 0.44 0.22 0.12 0.18 -1.33 0.00 0.00 177.39 177.02 3hbl n LEU 578 N -2.31 2.68 -1.98 2.23 4.77 0.11 -3.68 117.00 118.82 3hbl n LEU 578 Ca -0.12 -3.51 -0.12 0.00 -0.03 0.00 0.00 56.01 52.23 3hbl n LEU 578 Cb 0.73 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3hbl n LEU 578 CO 0.15 1.33 -0.14 0.00 -1.33 0.00 0.00 177.39 177.40 3hbl n ALA 579 N -0.52 -0.53 -1.77 -1.18 0.00 -1.16 -1.15 120.51 114.20 3hbl n ALA 579 Ca 0.20 0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 3hbl n ALA 579 Cb 0.90 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 3hbl n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hbl n THR 580 N -2.71 -0.28 0.75 0.00 -1.04 -0.46 -4.88 114.28 105.66 3hbl n THR 580 Ca -0.13 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.93 3hbl n THR 580 Cb 0.52 -1.84 0.16 0.00 -1.82 0.00 0.00 70.33 67.35 3hbl n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hbl n ARG 581 N -2.51 2.00 -2.51 -2.82 5.12 -0.30 -4.88 116.66 110.76 3hbl n ARG 581 Ca -0.16 -1.30 -0.42 0.00 -1.93 0.00 0.00 57.85 54.04 3hbl n ARG 581 Cb 0.55 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 3hbl n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbl s VAL 582 N -1.59 4.29 0.33 1.55 1.01 -1.26 -5.00 120.40 119.73 3hbl s VAL 582 Ca 0.24 1.64 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 3hbl s VAL 582 Cb 0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3hbl s VAL 582 CO 0.14 0.12 0.59 -0.13 0.00 0.00 0.00 175.10 175.83 3hbl s ARG 583 N 1.09 3.59 0.18 2.72 0.52 -1.26 -5.00 118.95 120.79 3hbl s ARG 583 Ca 0.57 -0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 55.50 3hbl s ARG 583 Cb -0.27 -2.60 0.06 0.00 0.52 0.00 0.00 34.95 32.65 3hbl s ARG 583 CO 0.29 0.13 1.56 1.15 0.02 0.00 0.00 175.30 178.45 3hbl h THR 584 N 1.06 0.06 -0.96 0.02 2.02 -1.95 -2.55 112.91 110.61 3hbl h THR 584 Ca -0.48 0.00 0.29 0.00 0.77 0.00 0.00 66.41 66.99 3hbl h THR 584 Cb 1.20 0.06 -0.17 0.00 -1.74 0.00 0.00 68.15 67.50 3hbl h THR 584 CO 0.64 0.00 0.21 0.50 0.37 0.00 0.00 175.52 177.24 3hbl h LYS 585 N -0.16 0.07 0.00 6.66 1.63 -1.90 0.40 116.57 123.27 3hbl h LYS 585 Ca 0.20 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3hbl h LYS 585 Cb 0.55 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3hbl h LYS 585 CO -0.77 0.04 0.00 -0.44 -3.45 0.00 0.00 179.45 174.83 3hbl h ASP 586 N 0.07 0.00 0.00 4.20 3.45 -1.83 -1.80 116.42 120.51 3hbl h ASP 586 Ca 0.64 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.92 3hbl h ASP 586 Cb 1.43 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.17 3hbl h ASP 586 CO -0.81 0.00 -1.01 0.24 -1.57 0.00 0.00 179.24 176.09 3hbl h MET 587 N 0.00 0.00 -0.87 3.56 2.86 -0.31 -3.37 114.93 116.79 3hbl h MET 587 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 3hbl h MET 587 Cb 0.70 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.20 3hbl h MET 587 CO 0.00 0.94 -0.25 0.82 1.06 0.00 0.00 176.91 179.48 3hbl h ILE 588 N -1.00 0.11 -0.69 -1.22 1.08 -0.92 -0.97 117.51 113.90 3hbl h ILE 588 Ca -0.27 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.32 3hbl h ILE 588 Cb 1.20 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3hbl h ILE 588 CO -0.17 0.00 0.46 0.78 -0.69 0.00 0.00 178.15 178.53 3hbl h ASN 589 N -0.01 0.41 -0.14 1.72 -0.26 -1.49 -2.53 115.58 113.27 3hbl h ASN 589 Ca 0.40 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 3hbl h ASN 589 Cb 0.63 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 3hbl h ASN 589 CO -0.90 0.23 0.00 2.30 -1.06 0.00 0.00 177.43 178.00 3hbl n ILE 590 N -4.48 1.90 -0.04 2.81 -6.64 -0.65 -4.70 119.36 107.57 3hbl n ILE 590 Ca 0.12 -1.88 -0.09 0.00 -1.77 0.00 0.00 62.75 59.14 3hbl n ILE 590 Cb 0.44 -0.11 -0.02 0.00 -1.44 0.00 0.00 39.64 38.50 3hbl n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3hbl h ALA 591 N 0.96 0.21 -0.34 -1.28 0.00 -0.76 0.22 119.26 118.27 3hbl h ALA 591 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hbl h ALA 591 Cb 1.12 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 3hbl h ALA 591 CO 0.10 -0.39 -0.31 1.03 0.00 0.00 0.00 179.25 179.68 3hbl h SER 592 N 0.12 -1.03 -0.53 0.00 0.87 -1.81 0.72 113.55 111.89 3hbl h SER 592 Ca 0.09 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3hbl h SER 592 Cb 0.09 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3hbl h SER 592 CO -0.12 -0.32 0.12 0.50 -0.53 0.00 0.00 176.83 176.48 3hbl h LYS 593 N -0.27 0.85 -0.58 2.24 1.63 -1.70 -2.90 116.57 115.84 3hbl h LYS 593 Ca 0.16 -0.21 0.06 0.00 -0.85 0.00 0.00 60.65 59.81 3hbl h LYS 593 Cb 0.53 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 3hbl h LYS 593 CO -0.49 0.81 0.28 1.15 -3.45 0.00 0.00 179.45 177.75 3hbl h THR 594 N 0.74 0.91 -1.00 1.00 2.02 0.48 0.10 112.91 117.16 3hbl h THR 594 Ca 0.16 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.27 3hbl h THR 594 Cb 0.35 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 3hbl h THR 594 CO 0.00 0.10 0.63 0.00 0.37 0.00 0.00 175.52 176.62 3hbl h ALA 595 N 1.33 1.48 0.29 6.16 0.00 0.60 -0.77 119.26 128.35 3hbl h ALA 595 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hbl h ALA 595 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hbl h ALA 595 CO -0.20 0.26 -0.14 0.22 0.00 0.00 0.00 179.25 179.39 3hbl h ASP 596 N 1.02 -0.33 -0.96 0.00 3.58 -1.16 -2.77 116.42 115.80 3hbl h ASP 596 Ca 0.48 -0.11 0.21 0.00 0.42 0.00 0.00 57.03 58.03 3hbl h ASP 596 Cb 0.43 0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.45 3hbl h ASP 596 CO -0.25 0.15 0.53 0.58 -2.88 0.00 0.00 179.24 177.38 3hbl h VAL 597 N -1.04 0.60 -0.48 2.25 2.07 -0.66 -1.82 116.25 117.17 3hbl h VAL 597 Ca -0.04 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hbl h VAL 597 Cb 0.42 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3hbl h VAL 597 CO 0.07 0.11 0.00 0.49 0.02 0.00 0.00 177.57 178.26 3hbl n PHE 598 N -4.88 1.72 -0.21 1.57 0.99 -0.31 -3.62 117.46 112.71 3hbl n PHE 598 Ca 0.23 -0.77 0.20 0.00 -0.00 0.00 0.00 57.45 57.11 3hbl n PHE 598 Cb 0.63 -0.45 0.55 0.00 -1.00 0.00 0.00 39.48 39.21 3hbl n PHE 598 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 3hbl h LYS 599 N 3.33 0.32 -0.07 -1.08 2.10 -1.02 0.54 116.57 120.69 3hbl h LYS 599 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3hbl h LYS 599 Cb 1.81 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 3hbl h LYS 599 CO 0.40 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 177.82 3hbl n ASP 600 N -4.47 2.57 -4.68 7.07 9.92 -1.26 -4.55 116.55 121.16 3hbl n ASP 600 Ca 0.18 -1.85 -0.31 0.00 -0.53 0.00 0.00 54.79 52.29 3hbl n ASP 600 Cb 0.72 -0.03 0.16 0.00 -0.64 0.00 0.00 41.12 41.32 3hbl n ASP 600 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3hbl s GLY 601 N -1.93 1.66 -0.11 0.44 0.00 0.19 -4.77 107.32 102.81 3hbl s GLY 601 Ca 0.32 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 3hbl s GLY 601 CO 0.31 0.83 0.05 -2.75 0.00 0.00 0.00 173.10 171.54 3hbl h PHE 602 N -1.78 0.00 -3.88 1.90 3.57 -1.15 -3.42 116.94 112.19 3hbl h PHE 602 Ca -0.46 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.94 3hbl h PHE 602 Cb 1.27 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.88 3hbl h PHE 602 CO 0.49 0.10 -0.36 -1.54 -2.23 0.00 0.00 178.31 174.76 3hbl s SER 603 N -5.63 0.09 -0.25 0.41 1.04 -1.22 -3.51 113.70 104.63 3hbl s SER 603 Ca -0.03 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 3hbl s SER 603 Cb -0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hbl s SER 603 CO 0.08 -0.81 -0.02 -0.76 0.98 0.00 0.00 173.24 172.71 3hbl s LEU 604 N -2.92 3.21 -0.65 2.42 1.43 0.22 -2.46 118.68 119.93 3hbl s LEU 604 Ca 0.12 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.36 3hbl s LEU 604 Cb 0.04 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3hbl s LEU 604 CO -0.05 -0.09 1.32 -0.70 0.23 0.00 0.00 176.35 177.07 3hbl s GLU 605 N 1.45 3.27 0.00 1.70 2.12 0.10 -0.04 118.70 127.30 3hbl s GLU 605 Ca 0.04 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.47 3hbl s GLU 605 Cb -0.16 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.10 3hbl s GLU 605 CO -0.02 -2.01 0.71 0.00 -0.54 0.00 0.00 175.26 173.40 3hbl n MET 606 N 8.95 1.33 -3.94 4.30 0.00 -0.72 -2.81 117.12 124.24 3hbl n MET 606 Ca 0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 57.70 56.75 3hbl n MET 606 Cb 0.49 -0.75 -0.05 0.00 0.00 0.00 0.00 33.22 32.91 3hbl n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hbl s TRP 607 N -0.46 0.26 0.00 3.17 -0.00 -1.23 -4.74 118.94 115.94 3hbl s TRP 607 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 56.10 55.48 3hbl s TRP 607 Cb 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 33.47 33.67 3hbl s TRP 607 CO 0.00 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 3hbl n GLY 608 N -0.35 -1.05 7.00 5.86 0.00 -1.26 -2.47 105.19 112.93 3hbl n GLY 608 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3hbl n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 609 N 0.00 3.85 0.89 -0.02 0.00 -1.04 -1.96 105.19 106.91 3hbl n GLY 609 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3hbl n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 610 N 12.08 2.40 0.09 4.61 0.00 -1.26 -4.46 120.51 133.97 3hbl n ALA 610 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 3hbl n ALA 610 Cb 0.00 -0.68 0.24 0.00 0.00 0.00 0.00 19.45 19.01 3hbl n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hbl h THR 611 N 3.58 1.30 0.44 0.00 1.35 -1.75 -2.11 112.91 115.72 3hbl h THR 611 Ca 0.00 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.39 3hbl h THR 611 Cb 0.83 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3hbl h THR 611 CO 0.00 0.44 -0.21 0.15 -0.25 0.00 0.00 175.52 175.64 3hbl h PHE 612 N 0.21 -0.55 0.27 4.73 3.57 -1.78 -0.35 116.94 123.04 3hbl h PHE 612 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3hbl h PHE 612 Cb 0.77 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3hbl h PHE 612 CO 0.01 -0.33 -0.31 0.22 -2.23 0.00 0.00 178.31 175.67 3hbl h ASP 613 N -0.62 -0.87 -1.00 0.41 1.82 -1.85 -3.09 116.42 111.23 3hbl h ASP 613 Ca -0.06 0.07 0.20 0.00 -0.39 0.00 0.00 57.03 56.85 3hbl h ASP 613 Cb 0.47 0.29 -0.11 0.00 0.68 0.00 0.00 39.33 40.66 3hbl h ASP 613 CO 0.10 -0.40 0.60 0.58 -1.61 0.00 0.00 179.24 178.52 3hbl h VAL 614 N -0.59 0.68 0.52 2.25 2.07 -1.35 0.12 116.25 119.95 3hbl h VAL 614 Ca -0.03 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3hbl h VAL 614 Cb 0.52 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3hbl h VAL 614 CO -0.06 0.13 -0.25 0.00 0.02 0.00 0.00 177.57 177.42 3hbl h ALA 615 N 1.65 -0.70 -0.46 1.67 0.00 -1.07 0.13 119.26 120.49 3hbl h ALA 615 Ca 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3hbl h ALA 615 Cb 0.93 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3hbl h ALA 615 CO -0.40 -0.75 0.30 1.88 0.00 0.00 0.00 179.25 180.28 3hbl h TYR 616 N -0.98 0.59 0.00 0.00 0.99 -1.18 0.26 116.97 116.66 3hbl h TYR 616 Ca -0.07 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3hbl h TYR 616 Cb 0.62 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.15 3hbl h TYR 616 CO 0.01 0.38 -0.21 -0.97 -0.00 0.00 0.00 178.16 177.37 3hbl h ASN 617 N 0.63 0.00 0.02 3.88 -0.00 -0.61 -3.35 115.58 116.15 3hbl h ASN 617 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.28 3hbl h ASN 617 Cb -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.24 3hbl h ASN 617 CO -0.04 0.33 -1.01 -0.26 -0.00 0.00 0.00 177.43 176.45 3hbl h PHE 618 N -0.45 0.09 0.00 0.67 -1.00 -0.96 -3.36 116.94 111.93 3hbl h PHE 618 Ca 0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3hbl h PHE 618 Cb 0.21 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 3hbl h PHE 618 CO -0.09 1.39 0.00 1.28 -1.61 0.00 0.00 178.31 179.29 3hbl n LEU 619 N -4.36 0.00 -4.17 1.54 4.77 -0.72 -4.92 117.00 109.15 3hbl n LEU 619 Ca -0.26 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.70 3hbl n LEU 619 Cb 0.68 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3hbl n LEU 619 CO 0.27 -0.01 -0.28 0.29 -1.33 0.00 0.00 177.39 176.33 3hbl n LYS 620 N -1.38 -0.47 -4.05 3.23 4.76 -0.42 -4.84 118.16 114.98 3hbl n LYS 620 Ca 0.11 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.51 3hbl n LYS 620 Cb 0.28 -2.80 -0.11 0.00 -1.84 0.00 0.00 35.03 30.57 3hbl n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3hbl s GLU 621 N -7.43 0.50 -0.22 1.97 -1.05 0.80 -4.61 118.70 108.66 3hbl s GLU 621 Ca 0.31 -0.87 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 3hbl s GLU 621 Cb -0.17 -0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.52 3hbl s GLU 621 CO 0.97 -0.03 1.03 1.21 0.95 0.00 0.00 175.26 179.39 3hbl s ASN 622 N -2.01 7.10 0.51 0.83 3.04 -1.26 -2.41 114.94 120.73 3hbl s ASN 622 Ca -0.06 1.38 0.33 0.00 0.04 0.00 0.00 52.86 54.55 3hbl s ASN 622 Cb -0.04 -2.54 1.50 0.00 -1.54 0.00 0.00 41.25 38.63 3hbl s ASN 622 CO -0.03 -0.65 2.00 1.55 -3.04 0.00 0.00 177.10 176.92 3hbl h PRO 623 N 7.44 0.00 -0.20 0.43 0.13 -1.89 -2.53 132.00 135.38 3hbl h PRO 623 Ca -0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.81 3hbl h PRO 623 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hbl h PRO 623 CO 0.97 0.00 -0.35 -1.49 -0.23 0.00 0.00 178.00 176.90 3hbl h TRP 624 N 0.00 0.73 -0.04 1.56 4.06 -1.99 -2.35 115.95 117.93 3hbl h TRP 624 Ca 0.00 -0.26 -0.04 0.00 2.06 0.00 0.00 58.89 60.65 3hbl h TRP 624 Cb 0.35 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3hbl h TRP 624 CO 0.00 0.99 -0.17 0.93 -3.56 0.00 0.00 178.44 176.64 3hbl h GLU 625 N 0.26 0.07 -0.22 0.49 5.08 -1.88 -0.32 114.58 118.05 3hbl h GLU 625 Ca 0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3hbl h GLU 625 Cb 0.94 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hbl h GLU 625 CO 0.08 0.24 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.05 3hbl h ARG 626 N 0.07 0.52 0.89 2.33 2.43 -1.44 -2.43 114.38 116.75 3hbl h ARG 626 Ca 0.01 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 3hbl h ARG 626 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3hbl h ARG 626 CO 0.02 0.84 -0.47 1.25 -1.51 0.00 0.00 179.97 180.10 3hbl h LEU 627 N 0.22 -1.16 -0.12 3.80 5.85 -0.87 -1.84 115.31 121.19 3hbl h LEU 627 Ca 0.04 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3hbl h LEU 627 Cb 0.73 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 3hbl h LEU 627 CO 0.05 -0.77 -0.07 -0.33 -0.34 0.00 0.00 178.44 176.97 3hbl h GLU 628 N -1.26 -0.07 -0.67 1.25 5.08 -1.16 0.77 114.58 118.52 3hbl h GLU 628 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3hbl h GLU 628 Cb 0.98 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3hbl h GLU 628 CO 0.17 -0.05 0.38 0.00 -1.00 0.00 0.00 179.01 178.51 3hbl h ARG 629 N -0.07 0.92 -0.20 2.33 3.08 -1.49 -0.50 114.38 118.45 3hbl h ARG 629 Ca 0.07 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3hbl h ARG 629 Cb 0.18 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3hbl h ARG 629 CO -0.17 0.67 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.75 3hbl h LEU 630 N 0.93 0.73 0.74 3.04 3.38 -0.67 -2.32 115.31 121.15 3hbl h LEU 630 Ca 0.24 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hbl h LEU 630 Cb 0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hbl h LEU 630 CO -0.04 1.15 -0.45 -0.09 0.09 0.00 0.00 178.44 179.10 3hbl h ARG 631 N 0.49 -1.07 -0.85 1.13 9.65 -0.31 0.23 114.38 123.65 3hbl h ARG 631 Ca 0.00 0.07 0.19 0.00 -1.10 0.00 0.00 59.98 59.14 3hbl h ARG 631 Cb 1.15 0.24 -0.11 0.00 -1.39 0.00 0.00 29.97 29.86 3hbl h ARG 631 CO 0.11 -0.72 0.36 -0.22 2.80 0.00 0.00 179.97 182.31 3hbl h LYS 632 N -1.12 0.42 0.00 0.20 3.64 -1.12 -0.72 116.57 117.87 3hbl h LYS 632 Ca -0.10 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 3hbl h LYS 632 Cb 0.89 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3hbl h LYS 632 CO 0.10 0.28 -0.61 0.00 -2.27 0.00 0.00 179.45 176.95 3hbl h ALA 633 N 1.65 0.83 -2.15 5.00 0.00 -1.19 -3.37 119.26 120.03 3hbl h ALA 633 Ca 0.50 -0.55 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 3hbl h ALA 633 Cb 0.88 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.16 3hbl h ALA 633 CO -0.48 0.76 -0.72 -0.89 0.00 0.00 0.00 179.25 177.92 3hbl n ILE 634 N -3.57 1.65 1.71 0.00 5.41 0.78 -4.60 119.36 120.74 3hbl n ILE 634 Ca -0.00 -4.95 0.07 0.00 1.00 0.00 0.00 62.75 58.87 3hbl n ILE 634 Cb 0.66 -2.02 0.41 0.00 -0.71 0.00 0.00 39.64 37.98 3hbl n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hbl n PRO 635 N 0.93 0.86 -0.10 0.38 -0.04 -1.07 -4.12 135.00 131.84 3hbl n PRO 635 Ca 0.28 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 3hbl n PRO 635 Cb 0.44 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 3hbl n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hbl n ASN 636 N -0.75 2.28 -4.89 3.54 6.94 -1.26 -4.67 115.26 116.46 3hbl n ASN 636 Ca 0.10 -0.09 -0.34 0.00 -0.02 0.00 0.00 54.58 54.24 3hbl n ASN 636 Cb 0.05 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 3hbl n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hbl s VAL 637 N -2.39 5.23 0.32 3.53 1.01 -1.26 -0.89 120.40 125.94 3hbl s VAL 637 Ca -0.24 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 3hbl s VAL 637 Cb 0.06 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 3hbl s VAL 637 CO 0.48 0.25 1.55 0.18 0.00 0.00 0.00 175.10 177.56 3hbl n LEU 638 N 0.75 4.45 -4.72 3.92 4.77 -1.23 -4.62 117.00 120.32 3hbl n LEU 638 Ca -0.08 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.71 3hbl n LEU 638 Cb 0.52 -1.60 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 3hbl n LEU 638 CO 0.44 0.13 0.03 -0.36 -1.33 0.00 0.00 177.39 176.30 3hbl s PHE 639 N -0.36 3.46 -0.04 -1.77 0.40 -1.26 0.73 117.98 119.14 3hbl s PHE 639 Ca 0.61 0.66 0.06 0.00 -0.60 0.00 0.00 56.93 57.65 3hbl s PHE 639 Cb -0.49 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 3hbl s PHE 639 CO 0.53 0.20 -0.22 -1.14 0.70 0.00 0.00 175.22 175.30 3hbl s GLN 640 N 0.57 2.40 0.03 0.44 0.74 0.94 -0.30 119.66 124.47 3hbl s GLN 640 Ca 0.19 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.78 3hbl s GLN 640 Cb -0.14 -2.19 -0.02 0.00 1.10 0.00 0.00 33.01 31.77 3hbl s GLN 640 CO 0.05 0.51 -0.10 0.00 -0.55 0.00 0.00 175.29 175.21 3hbl s MET 641 N -0.47 0.68 -0.05 1.67 0.23 -0.06 -1.75 119.30 119.55 3hbl s MET 641 Ca 0.06 -0.59 -0.26 0.00 -1.03 0.00 0.00 55.69 53.86 3hbl s MET 641 Cb -0.11 -0.61 -0.03 0.00 -1.53 0.00 0.00 34.83 32.55 3hbl s MET 641 CO 0.01 0.15 0.82 -1.17 -2.03 0.00 0.00 175.02 172.79 3hbl s LEU 642 N -0.96 4.32 -0.18 0.18 2.96 -1.03 -1.28 118.68 122.69 3hbl s LEU 642 Ca -0.02 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.24 3hbl s LEU 642 Cb -0.07 -3.28 0.05 0.00 0.50 0.00 0.00 46.19 43.40 3hbl s LEU 642 CO 0.01 -0.20 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.61 3hbl s LEU 643 N 1.03 1.46 -1.16 -0.68 2.96 0.96 -2.49 118.68 120.76 3hbl s LEU 643 Ca 0.43 -0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 3hbl s LEU 643 Cb -0.19 -0.76 0.02 0.00 0.50 0.00 0.00 46.19 45.76 3hbl s LEU 643 CO 0.21 -0.25 1.72 -0.13 -1.32 0.00 0.00 176.35 176.59 3hbl s ARG 644 N 1.73 3.44 0.00 1.98 0.52 -0.06 -2.79 118.95 123.77 3hbl s ARG 644 Ca -0.01 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 3hbl s ARG 644 Cb -0.16 -5.38 0.00 0.00 0.52 0.00 0.00 34.95 29.92 3hbl s ARG 644 CO -0.07 -2.70 0.00 0.00 0.02 0.00 0.00 175.30 172.55 3hbl n ALA 645 N 10.27 0.00 1.55 2.13 0.00 0.57 0.12 120.51 135.16 3hbl n ALA 645 Ca 0.43 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.00 3hbl n ALA 645 Cb 0.48 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.49 3hbl n ALA 645 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hbl n SER 646 N 0.21 1.22 0.06 0.00 7.64 -1.23 -3.12 113.62 118.40 3hbl n SER 646 Ca 0.00 -1.46 0.12 0.00 1.01 0.00 0.00 58.87 58.54 3hbl n SER 646 Cb 0.00 -0.02 0.10 0.00 -1.01 0.00 0.00 64.21 63.28 3hbl n SER 646 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hbl n ASN 647 N -0.03 0.69 0.00 6.43 4.13 0.33 -2.55 115.26 124.26 3hbl n ASN 647 Ca 0.19 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.50 3hbl n ASN 647 Cb 0.30 0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 3hbl n ASN 647 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hbl n ALA 648 N -1.88 0.00 -0.79 5.41 0.00 0.11 -0.39 120.51 122.97 3hbl n ALA 648 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hbl n ALA 648 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3hbl n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hbl n VAL 649 N 0.00 0.08 -0.17 0.00 3.14 -1.26 -0.88 118.33 119.24 3hbl n VAL 649 Ca 0.00 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 3hbl n VAL 649 Cb 0.00 1.44 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 3hbl n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hbl n GLY 650 N -0.04 1.41 0.00 7.55 0.00 0.47 -4.76 105.19 109.83 3hbl n GLY 650 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3hbl n GLY 650 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hbl n TYR 651 N 0.00 0.00 -4.21 1.61 4.01 -1.26 -4.91 117.16 112.40 3hbl n TYR 651 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 3hbl n TYR 651 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3hbl n TYR 651 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3hbl s LYS 652 N -0.17 1.55 0.24 -0.72 -2.85 -1.26 -4.76 119.74 111.77 3hbl s LYS 652 Ca 0.00 -1.80 -0.30 0.00 -1.00 0.00 0.00 55.97 52.88 3hbl s LYS 652 Cb 0.00 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 36.00 3hbl s LYS 652 CO 0.00 -0.56 1.27 -0.80 0.10 0.00 0.00 175.35 175.35 3hbl s ASN 653 N -3.26 6.94 0.18 0.03 -0.87 -1.18 -4.33 114.94 112.45 3hbl s ASN 653 Ca 0.38 2.44 0.05 0.00 -1.57 0.00 0.00 52.86 54.16 3hbl s ASN 653 Cb 0.04 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 3hbl s ASN 653 CO 0.20 -0.45 0.15 -0.31 -2.57 0.00 0.00 177.10 174.12 3hbl s TYR 654 N -0.41 3.16 0.41 2.20 1.51 -1.06 -5.01 117.35 118.15 3hbl s TYR 654 Ca 0.52 -0.03 -0.25 0.00 -1.01 0.00 0.00 57.07 56.30 3hbl s TYR 654 Cb -0.36 -1.50 -0.11 0.00 -0.11 0.00 0.00 41.96 39.88 3hbl s TYR 654 CO 0.42 0.52 1.15 -0.35 -1.11 0.00 0.00 175.55 176.18 3hbl n PRO 655 N -0.49 1.66 -0.31 -1.71 -0.04 -1.26 -4.69 135.00 128.16 3hbl n PRO 655 Ca -0.08 0.59 0.17 0.00 -0.04 0.00 0.00 63.50 64.14 3hbl n PRO 655 Cb 0.55 -2.20 0.43 0.00 -0.04 0.00 0.00 33.50 32.24 3hbl n PRO 655 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hbl h ASP 656 N 1.88 0.59 -0.07 3.54 5.19 -1.80 -1.27 116.42 124.46 3hbl h ASP 656 Ca -0.46 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.05 3hbl h ASP 656 Cb 1.32 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 3hbl h ASP 656 CO 0.59 0.19 0.06 -0.55 -3.12 0.00 0.00 179.24 176.41 3hbl h ASN 657 N 0.56 0.00 -0.21 6.45 -1.07 -1.93 -2.30 115.58 117.07 3hbl h ASN 657 Ca 0.55 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.83 3hbl h ASN 657 Cb 1.14 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.39 3hbl h ASN 657 CO -0.30 0.00 -0.24 0.58 0.07 0.00 0.00 177.43 177.54 3hbl h VAL 658 N 0.00 1.33 -0.34 6.14 2.07 -1.58 -2.06 116.25 121.80 3hbl h VAL 658 Ca 0.04 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3hbl h VAL 658 Cb 0.16 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3hbl h VAL 658 CO -0.00 0.44 0.19 0.40 0.02 0.00 0.00 177.57 178.61 3hbl h ILE 659 N 0.22 1.14 -0.35 4.57 5.03 -1.53 0.80 117.51 127.39 3hbl h ILE 659 Ca 0.03 -0.37 0.04 0.00 -0.12 0.00 0.00 64.86 64.44 3hbl h ILE 659 Cb 0.80 0.76 -0.04 0.00 -3.03 0.00 0.00 36.82 35.31 3hbl h ILE 659 CO 0.06 0.14 0.13 0.45 -0.68 0.00 0.00 178.15 178.25 3hbl h HIS 660 N 0.43 0.23 -0.42 1.37 3.86 -1.55 -1.16 115.15 117.91 3hbl h HIS 660 Ca 0.12 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3hbl h HIS 660 Cb 0.06 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3hbl h HIS 660 CO -0.03 0.10 0.18 -0.22 0.86 0.00 0.00 177.93 178.83 3hbl h LYS 661 N 0.28 0.62 0.11 2.45 3.64 -0.89 -0.24 116.57 122.54 3hbl h LYS 661 Ca 0.16 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3hbl h LYS 661 Cb 0.13 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3hbl h LYS 661 CO -0.16 0.56 -0.14 0.35 -2.27 0.00 0.00 179.45 177.78 3hbl h PHE 662 N 0.54 -0.38 -0.96 1.91 3.57 -0.71 -1.99 116.94 118.92 3hbl h PHE 662 Ca 0.14 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3hbl h PHE 662 Cb 0.16 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3hbl h PHE 662 CO -0.00 -0.22 0.64 0.28 -2.23 0.00 0.00 178.31 176.77 3hbl h VAL 663 N -0.30 1.25 -0.26 1.41 2.07 -0.97 -0.70 116.25 118.75 3hbl h VAL 663 Ca 0.01 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3hbl h VAL 663 Cb 0.30 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 3hbl h VAL 663 CO -0.06 0.24 -0.03 1.56 0.02 0.00 0.00 177.57 179.30 3hbl h GLN 664 N 1.30 0.04 -0.02 1.57 4.20 -0.74 -1.89 115.11 119.57 3hbl h GLN 664 Ca 0.35 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 3hbl h GLN 664 Cb -0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3hbl h GLN 664 CO -0.08 0.03 -0.68 0.93 -0.67 0.00 0.00 178.83 178.36 3hbl h GLU 665 N 0.05 0.12 0.45 1.46 4.39 -0.80 -2.75 114.58 117.51 3hbl h GLU 665 Ca 0.12 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3hbl h GLU 665 Cb 0.17 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3hbl h GLU 665 CO -0.23 0.75 -0.22 0.77 -1.16 0.00 0.00 179.01 178.92 3hbl h SER 666 N 0.08 -0.51 0.07 1.42 0.02 -0.92 -1.36 113.55 112.35 3hbl h SER 666 Ca -0.01 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3hbl h SER 666 Cb 1.21 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 3hbl h SER 666 CO 0.10 -0.28 -0.19 0.00 -1.14 0.00 0.00 176.83 175.32 3hbl h ALA 667 N -0.23 1.43 -0.34 3.77 0.00 -1.38 -1.79 119.26 120.71 3hbl h ALA 667 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3hbl h ALA 667 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hbl h ALA 667 CO 0.10 0.40 -0.45 -0.22 0.00 0.00 0.00 179.25 179.08 3hbl h LYS 668 N 0.21 0.91 0.00 0.00 3.64 -1.42 -3.13 116.57 116.78 3hbl h LYS 668 Ca 0.04 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3hbl h LYS 668 Cb 0.46 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3hbl h LYS 668 CO 0.03 1.17 0.00 0.00 -2.27 0.00 0.00 179.45 178.38 3hbl n ALA 669 N -2.55 2.24 0.00 5.00 0.00 -0.52 -4.88 120.51 119.80 3hbl n ALA 669 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hbl n ALA 669 Cb 0.58 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3hbl n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 670 N 1.27 0.61 3.76 0.00 0.00 -0.99 -4.35 105.19 105.48 3hbl n GLY 670 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3hbl n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 671 N 0.00 3.11 -0.02 -0.61 -1.09 -0.72 -4.48 121.20 117.38 3hbl s ILE 671 Ca 0.00 1.06 0.01 0.00 -2.23 0.00 0.00 60.65 59.49 3hbl s ILE 671 Cb 0.00 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 3hbl s ILE 671 CO 0.00 0.23 -0.01 0.47 -1.23 0.00 0.00 174.94 174.40 3hbl n ASP 672 N 1.39 4.16 -4.08 3.58 9.92 0.58 -4.30 116.55 127.81 3hbl n ASP 672 Ca 0.01 -0.01 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 3hbl n ASP 672 Cb 0.43 0.29 -0.17 0.00 -0.64 0.00 0.00 41.12 41.04 3hbl n ASP 672 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hbl s VAL 673 N -2.05 1.54 -0.27 2.53 1.01 -0.30 -0.43 120.40 122.42 3hbl s VAL 673 Ca -0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3hbl s VAL 673 Cb 0.01 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3hbl s VAL 673 CO 0.08 0.45 -0.02 -0.36 0.00 0.00 0.00 175.10 175.24 3hbl s PHE 674 N 0.85 3.12 -0.52 5.22 0.08 -0.41 -0.88 117.98 125.45 3hbl s PHE 674 Ca -0.09 -1.51 -0.26 0.00 0.12 0.00 0.00 56.93 55.19 3hbl s PHE 674 Cb -0.15 -2.11 0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3hbl s PHE 674 CO 0.00 -0.72 0.99 0.50 -0.10 0.00 0.00 175.22 175.90 3hbl s ARG 675 N 1.34 3.47 -0.10 0.44 3.52 -0.40 -1.68 118.95 125.54 3hbl s ARG 675 Ca -0.00 0.04 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 3hbl s ARG 675 Cb -0.17 -3.99 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 3hbl s ARG 675 CO -0.02 -1.41 0.21 0.42 -0.81 0.00 0.00 175.30 173.69 3hbl s ILE 676 N 4.08 5.37 -0.14 4.11 1.01 0.18 -0.03 121.20 135.79 3hbl s ILE 676 Ca 0.36 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 61.17 3hbl s ILE 676 Cb -0.10 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.93 3hbl s ILE 676 CO 0.24 0.58 0.57 0.72 0.00 0.00 0.00 174.94 177.05 3hbl s PHE 677 N -0.83 -0.58 -0.10 3.97 -0.71 -1.12 -1.23 117.98 117.39 3hbl s PHE 677 Ca 0.17 1.26 -0.09 0.00 -1.04 0.00 0.00 56.93 57.23 3hbl s PHE 677 Cb -0.13 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 3hbl s PHE 677 CO 0.06 -0.40 0.19 0.34 -1.34 0.00 0.00 175.22 174.07 3hbl s ASP 678 N -0.34 6.47 0.00 1.98 -1.08 -1.26 -0.31 116.67 122.12 3hbl s ASP 678 Ca -0.05 0.57 0.14 0.00 -0.52 0.00 0.00 52.55 52.69 3hbl s ASP 678 Cb -0.03 -2.11 0.85 0.00 -1.46 0.00 0.00 42.92 40.17 3hbl s ASP 678 CO 0.04 0.39 1.48 -1.54 0.52 0.00 0.00 175.17 176.06 3hbl n SER 679 N 1.97 0.00 -0.05 -0.34 3.41 -1.26 -1.26 113.62 116.09 3hbl n SER 679 Ca -0.19 -1.38 0.01 0.00 -0.26 0.00 0.00 58.87 57.06 3hbl n SER 679 Cb 0.54 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 3hbl n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hbl n LEU 680 N -0.74 1.38 -1.05 1.04 4.77 -1.26 -4.25 117.00 116.88 3hbl n LEU 680 Ca 0.11 -1.56 -0.12 0.00 -0.03 0.00 0.00 56.01 54.41 3hbl n LEU 680 Cb 0.05 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3hbl n LEU 680 CO 0.08 0.38 -0.11 0.59 -1.33 0.00 0.00 177.39 177.00 3hbl n ASN 681 N -0.47 -4.63 -4.58 -1.43 3.02 -0.39 -4.68 115.26 102.10 3hbl n ASN 681 Ca 0.02 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3hbl n ASN 681 Cb 0.41 -3.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.81 3hbl n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hbl s TRP 682 N -1.96 2.35 0.34 3.10 -0.00 -1.26 -4.89 118.94 116.62 3hbl s TRP 682 Ca 0.00 0.55 0.03 0.00 -0.00 0.00 0.00 56.10 56.68 3hbl s TRP 682 Cb 0.00 -4.38 0.61 0.00 -0.00 0.00 0.00 33.47 29.70 3hbl s TRP 682 CO 0.00 -1.93 1.93 0.28 -0.00 0.00 0.00 176.95 177.23 3hbl h VAL 683 N 6.39 1.18 -0.92 5.86 2.07 -1.97 -2.21 116.25 126.66 3hbl h VAL 683 Ca -0.27 -0.58 0.22 0.00 0.82 0.00 0.00 66.70 66.90 3hbl h VAL 683 Cb 1.09 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3hbl h VAL 683 CO 1.15 0.22 0.61 0.44 0.02 0.00 0.00 177.57 180.01 3hbl h ASP 684 N 0.66 0.35 0.61 0.57 3.32 -2.03 0.30 116.42 120.20 3hbl h ASP 684 Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hbl h ASP 684 Cb 0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hbl h ASP 684 CO -0.01 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.64 3hbl n GLN 685 N -4.49 0.13 0.01 3.56 1.13 -0.83 -3.42 117.38 113.47 3hbl n GLN 685 Ca 0.20 0.11 0.11 0.00 -1.94 0.00 0.00 57.00 55.48 3hbl n GLN 685 Cb 0.76 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.56 3hbl n GLN 685 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3hbl n MET 686 N -1.41 0.28 0.16 -1.09 2.81 0.09 -3.49 117.12 114.47 3hbl n MET 686 Ca 0.07 -0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.78 3hbl n MET 686 Cb 0.22 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 31.10 3hbl n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hbl h LYS 687 N 0.00 -0.37 -0.67 0.03 1.57 -1.63 -2.21 116.57 113.28 3hbl h LYS 687 Ca 0.00 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3hbl h LYS 687 Cb 0.71 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3hbl h LYS 687 CO 0.00 -0.12 0.44 0.28 -0.57 0.00 0.00 179.45 179.48 3hbl h VAL 688 N -0.58 1.03 -0.16 0.50 2.07 -1.83 0.06 116.25 117.35 3hbl h VAL 688 Ca -0.04 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3hbl h VAL 688 Cb 0.42 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3hbl h VAL 688 CO 0.06 0.13 -0.04 0.00 0.02 0.00 0.00 177.57 177.75 3hbl h ALA 689 N 1.63 0.22 -0.96 1.67 0.00 -1.81 -2.97 119.26 117.03 3hbl h ALA 689 Ca 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hbl h ALA 689 Cb 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3hbl h ALA 689 CO -0.09 -0.03 0.58 -0.97 0.00 0.00 0.00 179.25 178.74 3hbl h ASN 690 N 0.00 1.15 0.26 0.00 -1.24 -0.62 -2.09 115.58 113.04 3hbl h ASN 690 Ca 0.04 -0.07 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 3hbl h ASN 690 Cb 0.46 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3hbl h ASN 690 CO 0.02 0.87 -0.18 -0.33 -1.29 0.00 0.00 177.43 176.52 3hbl h GLU 691 N 1.32 0.00 0.08 6.67 5.08 -1.03 -0.76 114.58 125.94 3hbl h GLU 691 Ca 0.34 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.45 3hbl h GLU 691 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3hbl h GLU 691 CO -0.07 0.18 -1.21 0.00 -1.00 0.00 0.00 179.01 176.91 3hbl h ALA 692 N 1.82 0.22 -0.09 3.43 0.00 -1.24 -2.79 119.26 120.62 3hbl h ALA 692 Ca -0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 54.91 53.92 3hbl h ALA 692 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hbl h ALA 692 CO 0.02 1.10 -0.15 0.28 0.00 0.00 0.00 179.25 180.51 3hbl h VAL 693 N 0.05 1.40 -0.44 0.00 2.07 -0.98 -2.48 116.25 115.86 3hbl h VAL 693 Ca -0.11 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3hbl h VAL 693 Cb 1.91 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 3hbl h VAL 693 CO 0.17 0.40 0.28 1.56 0.02 0.00 0.00 177.57 180.00 3hbl h GLN 694 N -0.21 0.55 -0.14 1.57 1.08 -1.27 -0.95 115.11 115.74 3hbl h GLN 694 Ca 0.01 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 3hbl h GLN 694 Cb 0.72 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3hbl h GLN 694 CO 0.03 0.36 -0.15 1.49 -0.95 0.00 0.00 178.83 179.62 3hbl h GLU 695 N 0.56 0.23 -0.02 1.46 4.81 -1.56 0.11 114.58 120.17 3hbl h GLU 695 Ca 0.17 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hbl h GLU 695 Cb -0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hbl h GLU 695 CO -0.05 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 3hbl n ALA 696 N -2.49 2.62 -2.33 2.92 0.00 -0.93 -4.94 120.51 115.36 3hbl n ALA 696 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3hbl n ALA 696 Cb 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3hbl n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 697 N 1.07 -0.05 2.57 0.00 0.00 0.03 -5.00 105.19 103.81 3hbl n GLY 697 Ca 0.20 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 3hbl n GLY 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hbl n LYS 698 N -2.17 0.88 -3.10 1.61 4.76 -0.43 -4.57 118.16 115.14 3hbl n LYS 698 Ca -0.11 -2.23 -0.42 0.00 -2.87 0.00 0.00 58.31 52.67 3hbl n LYS 698 Cb 0.59 0.11 -0.07 0.00 -1.84 0.00 0.00 35.03 33.83 3hbl n LYS 698 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hbl s ILE 699 N -1.69 4.85 -0.05 -0.18 1.01 0.43 -4.56 121.20 121.00 3hbl s ILE 699 Ca 0.27 0.37 -0.19 0.00 0.00 0.00 0.00 60.65 61.11 3hbl s ILE 699 Cb -0.02 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3hbl s ILE 699 CO 0.17 -0.46 0.54 -0.55 0.00 0.00 0.00 174.94 174.64 3hbl s SER 700 N 1.91 6.84 -0.23 3.58 0.15 -1.26 -1.28 113.70 123.41 3hbl s SER 700 Ca 0.24 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.90 3hbl s SER 700 Cb -0.14 -2.32 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 3hbl s SER 700 CO 0.17 0.07 -0.05 -0.70 1.20 0.00 0.00 173.24 173.93 3hbl s GLU 701 N 0.12 1.56 -0.13 5.44 2.12 -0.68 -1.50 118.70 125.63 3hbl s GLU 701 Ca 0.29 -0.92 -0.26 0.00 0.36 0.00 0.00 54.97 54.44 3hbl s GLU 701 Cb -0.17 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 3hbl s GLU 701 CO 0.14 -0.59 0.84 0.20 -0.54 0.00 0.00 175.26 175.31 3hbl s GLY 702 N 1.44 2.27 -0.11 -1.50 0.00 -0.29 -0.65 107.32 108.48 3hbl s GLY 702 Ca -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 3hbl s GLY 702 CO -0.06 1.62 -0.01 -1.59 0.00 0.00 0.00 173.10 173.05 3hbl s THR 703 N 1.83 4.14 -0.25 0.90 2.01 -0.36 -0.72 115.64 123.20 3hbl s THR 703 Ca 0.40 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.04 3hbl s THR 703 Cb -0.17 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3hbl s THR 703 CO 0.15 0.56 0.06 -0.63 -0.69 0.00 0.00 174.62 174.07 3hbl s ILE 704 N -0.40 4.20 -0.09 1.82 1.01 -0.76 -4.70 121.20 122.27 3hbl s ILE 704 Ca 0.07 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3hbl s ILE 704 Cb -0.12 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 3hbl s ILE 704 CO 0.02 0.33 0.88 0.00 0.00 0.00 0.00 174.94 176.16 3hbl s TYR 706 N 1.57 3.51 0.24 0.00 5.04 -0.55 -4.98 117.35 122.18 3hbl s TYR 706 Ca 0.43 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.56 3hbl s TYR 706 Cb -0.18 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.02 3hbl s TYR 706 CO 0.18 -0.18 0.06 2.41 -1.34 0.00 0.00 175.55 176.68 3hbl n THR 707 N 4.48 0.00 -4.72 4.34 -1.04 -1.26 -4.51 114.28 111.57 3hbl n THR 707 Ca 0.06 -1.32 0.00 0.00 -2.04 0.00 0.00 64.05 60.76 3hbl n THR 707 Cb 0.49 0.41 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 3hbl n THR 707 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hbl n GLY 708 N 0.93 0.90 2.76 3.41 0.00 -1.26 -4.76 105.19 107.17 3hbl n GLY 708 Ca -0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 3hbl n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbl s ASP 709 N -4.00 1.34 0.08 1.61 3.68 -1.26 -4.85 116.67 113.26 3hbl s ASP 709 Ca 0.00 -0.22 0.20 0.00 2.13 0.00 0.00 52.55 54.67 3hbl s ASP 709 Cb 0.00 0.41 0.83 0.00 -1.45 0.00 0.00 42.92 42.72 3hbl s ASP 709 CO 0.00 -0.33 1.63 2.30 0.13 0.00 0.00 175.17 178.91 3hbl n ILE 710 N 5.32 0.74 0.16 4.11 -5.35 -1.26 -1.75 119.36 121.33 3hbl n ILE 710 Ca -0.05 0.15 0.03 0.00 -0.27 0.00 0.00 62.75 62.62 3hbl n ILE 710 Cb 0.49 -0.91 0.13 0.00 -1.74 0.00 0.00 39.64 37.62 3hbl n ILE 710 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hbl h LEU 711 N 0.00 0.00 -8.42 7.28 3.38 -1.96 -3.43 115.31 112.16 3hbl h LEU 711 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3hbl h LEU 711 Cb 0.36 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.88 3hbl h LEU 711 CO 0.00 0.47 -0.50 0.21 0.09 0.00 0.00 178.44 178.70 3hbl s ASN 712 N -6.44 5.78 0.32 -0.43 2.47 -0.72 -4.95 114.94 110.97 3hbl s ASN 712 Ca 0.03 -0.91 0.05 0.00 0.42 0.00 0.00 52.86 52.45 3hbl s ASN 712 Cb 0.09 -2.05 0.53 0.00 -1.45 0.00 0.00 41.25 38.37 3hbl s ASN 712 CO 0.72 -0.37 1.78 -0.65 -3.72 0.00 0.00 177.10 174.86 3hbl h PRO 713 N 8.46 0.37 0.00 0.43 0.11 -1.83 -3.06 132.00 136.48 3hbl h PRO 713 Ca -0.27 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3hbl h PRO 713 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hbl h PRO 713 CO 0.67 0.58 0.00 0.93 -0.21 0.00 0.00 178.00 179.97 3hbl h GLU 714 N 0.33 0.00 0.06 1.05 5.08 -1.92 -3.26 114.58 115.91 3hbl h GLU 714 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hbl h GLU 714 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hbl h GLU 714 CO 0.04 0.00 -0.03 -0.09 -1.00 0.00 0.00 179.01 177.93 3hbl h ARG 715 N 0.00 -0.07 -2.89 2.33 9.65 -1.84 -3.46 114.38 118.10 3hbl h ARG 715 Ca 0.00 0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 3hbl h ARG 715 Cb 0.70 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.15 3hbl h ARG 715 CO 0.00 0.07 0.04 0.45 2.80 0.00 0.00 179.97 183.33 3hbl s SER 716 N -5.25 -0.42 -0.14 -3.80 0.15 -1.23 -5.01 113.70 97.99 3hbl s SER 716 Ca -0.14 0.09 0.18 0.00 0.70 0.00 0.00 55.95 56.78 3hbl s SER 716 Cb 0.05 0.50 0.35 0.00 -1.71 0.00 0.00 66.02 65.20 3hbl s SER 716 CO 0.65 -0.76 1.21 -0.46 1.20 0.00 0.00 173.24 175.08 3hbl n ASN 717 N 0.24 2.67 -0.05 5.45 2.04 -1.26 -4.71 115.26 119.64 3hbl n ASN 717 Ca -0.18 -3.10 -0.10 0.00 -0.44 0.00 0.00 54.58 50.76 3hbl n ASN 717 Cb 0.61 -0.46 -0.04 0.00 -2.53 0.00 0.00 39.78 37.37 3hbl n ASN 717 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3hbl n ILE 717 N -1.23 0.55 -2.53 1.53 -0.00 -1.26 -4.81 119.36 111.60 3hbl n ILE 717 Ca 0.17 -0.14 -0.42 0.00 -0.00 0.00 0.00 62.75 62.36 3hbl n ILE 717 Cb 0.70 -1.57 0.01 0.00 -0.00 0.00 0.00 39.64 38.77 3hbl n ILE 717 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3hbl n TYR 718 N -3.39 2.61 -2.90 1.39 4.02 -1.26 -4.66 117.16 112.97 3hbl n TYR 718 Ca -0.19 -2.69 -0.14 0.00 -0.01 0.00 0.00 57.90 54.87 3hbl n TYR 718 Cb 0.64 -1.61 0.06 0.00 -0.02 0.00 0.00 39.34 38.41 3hbl n TYR 718 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hbl n THR 719 N 2.00 0.00 -0.30 -0.72 -1.04 -1.26 -4.58 114.28 108.37 3hbl n THR 719 Ca 0.40 -1.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 3hbl n THR 719 Cb 0.32 -0.75 0.19 0.00 -1.82 0.00 0.00 70.33 68.26 3hbl n THR 719 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hbl h LEU 720 N 0.00 1.00 -0.67 -4.42 5.85 -1.93 -3.03 115.31 112.10 3hbl h LEU 720 Ca -0.20 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3hbl h LEU 720 Cb 0.87 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3hbl h LEU 720 CO 0.26 0.71 0.13 -0.08 -0.34 0.00 0.00 178.44 179.12 3hbl h GLU 721 N 1.17 1.10 -0.65 1.25 4.57 -1.95 -2.59 114.58 117.48 3hbl h GLU 721 Ca 0.34 -0.29 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 3hbl h GLU 721 Cb -0.07 -0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.28 3hbl h GLU 721 CO -0.09 1.00 -0.45 -0.92 -1.18 0.00 0.00 179.01 177.37 3hbl h TYR 722 N 1.03 -1.34 -0.12 0.92 3.20 -1.80 -0.78 116.97 118.09 3hbl h TYR 722 Ca 0.21 0.09 -0.10 0.00 3.14 0.00 0.00 58.73 62.06 3hbl h TYR 722 Cb 0.42 0.68 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3hbl h TYR 722 CO 0.03 -0.42 -0.38 1.88 -1.64 0.00 0.00 178.16 177.64 3hbl h TYR 723 N -0.19 0.28 -0.26 -3.82 -1.99 -1.52 -1.98 116.97 107.50 3hbl h TYR 723 Ca 0.19 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 3hbl h TYR 723 Cb 0.55 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3hbl h TYR 723 CO -0.76 0.59 -0.11 0.28 -0.00 0.00 0.00 178.16 178.16 3hbl h VAL 724 N 0.21 1.30 -0.46 -2.88 2.07 -1.09 -2.16 116.25 113.24 3hbl h VAL 724 Ca 0.02 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.37 3hbl h VAL 724 Cb 0.77 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3hbl h VAL 724 CO 0.06 0.37 0.28 0.11 0.02 0.00 0.00 177.57 178.42 3hbl h LYS 725 N 0.26 0.56 -0.51 1.57 1.57 -0.85 -2.23 116.57 116.94 3hbl h LYS 725 Ca 0.06 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 3hbl h LYS 725 Cb 0.62 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3hbl h LYS 725 CO 0.04 0.37 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.12 3hbl h LEU 726 N 0.57 0.97 0.33 2.94 4.07 -1.36 -1.42 115.31 121.42 3hbl h LEU 726 Ca 0.18 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.77 3hbl h LEU 726 Cb -0.02 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.46 3hbl h LEU 726 CO -0.07 1.09 -0.16 0.00 -1.08 0.00 0.00 178.44 178.23 3hbl h ALA 727 N 0.91 -0.45 -0.80 1.53 0.00 -1.33 0.11 119.26 119.24 3hbl h ALA 727 Ca 0.13 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.07 3hbl h ALA 727 Cb 0.65 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 3hbl h ALA 727 CO 0.04 -0.71 0.35 0.87 0.00 0.00 0.00 179.25 179.80 3hbl h LYS 728 N -0.52 0.47 -0.54 0.00 1.57 -1.34 0.53 116.57 116.74 3hbl h LYS 728 Ca -0.05 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3hbl h LYS 728 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3hbl h LYS 728 CO 0.07 0.31 0.02 1.49 -0.57 0.00 0.00 179.45 180.78 3hbl h GLU 729 N 0.49 0.90 0.00 3.15 4.81 -1.00 -2.64 114.58 120.29 3hbl h GLU 729 Ca 0.44 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3hbl h GLU 729 Cb 0.68 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hbl h GLU 729 CO -0.41 0.88 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.20 3hbl h LEU 730 N 0.84 0.00 -0.58 1.64 3.38 0.92 -3.17 115.31 118.34 3hbl h LEU 730 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3hbl h LEU 730 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3hbl h LEU 730 CO 0.02 0.48 0.04 -0.08 0.09 0.00 0.00 178.44 178.99 3hbl h GLU 731 N 0.00 1.00 0.00 1.13 4.81 -0.62 -3.16 114.58 117.75 3hbl h GLU 731 Ca -0.00 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 3hbl h GLU 731 Cb 0.86 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 3hbl h GLU 731 CO 0.06 0.98 -0.26 0.00 -0.73 0.00 0.00 179.01 179.07 3hbl h ARG 732 N 0.90 0.00 -0.02 1.92 3.08 -1.48 -1.83 114.38 116.94 3hbl h ARG 732 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3hbl h ARG 732 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3hbl h ARG 732 CO 0.02 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 179.57 3hbl n GLU 733 N -3.80 1.10 -1.72 0.04 -0.58 -1.19 -4.90 120.64 109.59 3hbl n GLU 733 Ca -0.01 -0.15 -0.01 0.00 -0.42 0.00 0.00 57.16 56.56 3hbl n GLU 733 Cb 0.35 -1.34 -0.00 0.00 -0.57 0.00 0.00 31.44 29.88 3hbl n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 734 N 0.87 0.37 3.76 0.62 0.00 -0.69 -5.02 105.19 105.10 3hbl n GLY 734 Ca 0.16 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 3hbl n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 735 N -2.05 2.56 0.03 1.61 0.40 -1.23 -4.96 117.98 114.34 3hbl s PHE 735 Ca 0.00 1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 57.72 3hbl s PHE 735 Cb 0.00 -3.50 -0.32 0.00 0.51 0.00 0.00 43.02 39.71 3hbl s PHE 735 CO 0.00 -2.07 0.98 0.45 0.70 0.00 0.00 175.22 175.28 3hbl h HIS 736 N 1.46 0.72 -3.55 0.36 3.86 -1.64 -3.47 115.15 112.89 3hbl h HIS 736 Ca -0.50 -0.53 -0.34 0.00 -1.16 0.00 0.00 60.37 57.85 3hbl h HIS 736 Cb 1.28 -0.03 -0.33 0.00 1.06 0.00 0.00 27.41 29.39 3hbl h HIS 736 CO 0.49 1.46 -0.75 0.42 0.86 0.00 0.00 177.93 180.42 3hbl s ILE 737 N -2.62 0.21 -0.24 2.45 1.01 -1.10 -4.22 121.20 116.69 3hbl s ILE 737 Ca -0.08 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 3hbl s ILE 737 Cb 0.06 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 3hbl s ILE 737 CO 0.90 0.14 0.75 -0.22 0.00 0.00 0.00 174.94 176.51 3hbl s LEU 738 N 0.81 4.08 -0.01 2.97 2.96 -0.31 -1.14 118.68 128.05 3hbl s LEU 738 Ca -0.08 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3hbl s LEU 738 Cb -0.12 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 3hbl s LEU 738 CO -0.01 -0.45 0.02 0.00 -1.32 0.00 0.00 176.35 174.58 3hbl s ALA 739 N 2.67 3.35 -0.34 5.97 0.00 0.11 -0.30 121.76 133.22 3hbl s ALA 739 Ca 0.32 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 3hbl s ALA 739 Cb -0.15 -1.41 0.08 0.00 0.00 0.00 0.00 23.12 21.64 3hbl s ALA 739 CO 0.08 0.65 0.08 0.42 0.00 0.00 0.00 175.76 176.99 3hbl s ILE 740 N -1.10 2.86 -0.57 0.00 -1.09 -0.76 -1.83 121.20 118.71 3hbl s ILE 740 Ca 0.20 -1.87 -0.19 0.00 -2.23 0.00 0.00 60.65 56.56 3hbl s ILE 740 Cb -0.12 -2.87 0.10 0.00 -1.58 0.00 0.00 42.46 37.99 3hbl s ILE 740 CO 0.10 -0.42 0.67 -0.75 -1.23 0.00 0.00 174.94 173.31 3hbl s LYS 741 N 1.12 3.05 -1.24 2.79 2.20 -1.02 -0.76 119.74 125.88 3hbl s LYS 741 Ca 0.03 -1.28 -0.11 0.00 -0.36 0.00 0.00 55.97 54.25 3hbl s LYS 741 Cb -0.21 -4.24 0.18 0.00 -1.51 0.00 0.00 37.83 32.05 3hbl s LYS 741 CO -0.04 -1.47 1.67 -3.47 -0.36 0.00 0.00 175.35 171.68 3hbl n ASP 742 N 6.20 5.24 -0.20 1.43 2.03 0.60 -1.49 116.55 130.36 3hbl n ASP 742 Ca -0.09 -3.08 0.21 0.00 0.52 0.00 0.00 54.79 52.35 3hbl n ASP 742 Cb 0.43 -1.50 0.57 0.00 -0.72 0.00 0.00 41.12 39.90 3hbl n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hbl h MET 743 N 6.26 0.28 -0.24 -0.67 -0.00 -1.82 -2.15 114.93 116.58 3hbl h MET 743 Ca 0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 60.03 3hbl h MET 743 Cb 0.72 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 3hbl h MET 743 CO 1.45 0.18 0.00 0.00 -0.00 0.00 0.00 176.91 178.54 3hbl n ALA 744 N -2.57 2.80 -2.96 -3.00 0.00 -1.26 -0.49 120.51 113.03 3hbl n ALA 744 Ca 0.18 -2.15 -0.22 0.00 0.00 0.00 0.00 53.44 51.25 3hbl n ALA 744 Cb 0.74 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.58 3hbl n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 745 N -0.45 -0.52 0.15 0.00 0.00 -0.81 -4.80 105.19 98.76 3hbl n GLY 745 Ca 0.19 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.40 3hbl n GLY 745 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hbl h LEU 746 N -1.21 0.00 -8.26 0.99 3.38 -1.87 -3.43 115.31 104.91 3hbl h LEU 746 Ca -0.52 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 56.97 3hbl h LEU 746 Cb 1.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 3hbl h LEU 746 CO 0.57 0.22 1.16 -0.22 0.09 0.00 0.00 178.44 180.26 3hbl s LEU 747 N -5.95 3.29 0.57 1.67 2.96 -1.26 -4.93 118.68 115.04 3hbl s LEU 747 Ca 0.02 -0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 3hbl s LEU 747 Cb 0.08 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 3hbl s LEU 747 CO 0.75 -2.10 1.28 -0.54 -1.32 0.00 0.00 176.35 174.42 3hbl s LYS 748 N 6.11 3.04 0.10 1.98 1.02 -1.26 -4.70 119.74 126.03 3hbl s LYS 748 Ca 0.55 2.03 -0.15 0.00 0.02 0.00 0.00 55.97 58.42 3hbl s LYS 748 Cb -0.06 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3hbl s LYS 748 CO 0.03 -1.20 0.83 -2.30 -0.92 0.00 0.00 175.35 171.79 3hbl n PRO 749 N -1.31 -0.21 -0.12 -1.68 -0.02 -1.26 -0.90 135.00 129.50 3hbl n PRO 749 Ca 0.12 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3hbl n PRO 749 Cb 0.47 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.72 3hbl n PRO 749 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hbl h LYS 750 N 0.00 0.75 -0.03 -0.52 3.11 -1.92 -2.53 116.57 115.43 3hbl h LYS 750 Ca 0.11 -0.32 0.01 0.00 -2.81 0.00 0.00 60.65 57.64 3hbl h LYS 750 Cb 0.24 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.45 3hbl h LYS 750 CO -0.51 0.93 0.03 0.00 -2.81 0.00 0.00 179.45 177.08 3hbl h ALA 751 N 0.80 2.00 0.36 5.00 0.00 -1.54 0.14 119.26 126.03 3hbl h ALA 751 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hbl h ALA 751 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hbl h ALA 751 CO 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 3hbl h ALA 752 N 1.98 -0.48 -0.52 0.00 0.00 -0.67 0.89 119.26 120.47 3hbl h ALA 752 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.84 3hbl h ALA 752 Cb 0.07 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3hbl h ALA 752 CO -0.00 -0.57 0.01 -0.92 0.00 0.00 0.00 179.25 177.77 3hbl h TYR 753 N -0.89 -0.02 -0.03 0.00 3.20 -1.01 -1.65 116.97 116.58 3hbl h TYR 753 Ca -0.05 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 3hbl h TYR 753 Cb 0.53 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3hbl h TYR 753 CO 0.03 -0.11 -0.41 1.49 -1.64 0.00 0.00 178.16 177.52 3hbl h GLU 754 N 0.13 0.06 0.05 1.82 4.81 -0.74 -3.01 114.58 117.69 3hbl h GLU 754 Ca 0.26 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3hbl h GLU 754 Cb 0.40 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.79 3hbl h GLU 754 CO -0.43 0.46 -0.30 1.25 -0.73 0.00 0.00 179.01 179.26 3hbl h LEU 755 N 0.05 0.18 0.16 1.64 5.85 -0.10 -3.30 115.31 119.80 3hbl h LEU 755 Ca 0.00 -0.96 -0.01 0.00 0.84 0.00 0.00 57.88 57.75 3hbl h LEU 755 Cb 0.75 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3hbl h LEU 755 CO 0.06 1.13 -0.08 0.40 -0.34 0.00 0.00 178.44 179.61 3hbl h ILE 756 N -0.74 0.98 -0.93 4.05 5.03 -1.39 -2.63 117.51 121.89 3hbl h ILE 756 Ca -0.05 -0.80 0.24 0.00 -0.12 0.00 0.00 64.86 64.13 3hbl h ILE 756 Cb 1.22 1.45 -0.06 0.00 -3.03 0.00 0.00 36.82 36.40 3hbl h ILE 756 CO 0.06 0.18 0.64 1.23 -0.68 0.00 0.00 178.15 179.57 3hbl h GLY 757 N -0.61 0.55 0.65 5.37 0.00 -1.66 0.73 103.07 108.10 3hbl h GLY 757 Ca -0.02 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3hbl h GLY 757 CO 0.04 -0.02 -0.22 0.83 0.00 0.00 0.00 176.54 177.17 3hbl h GLU 758 N 0.23 0.28 -0.51 4.80 4.39 -1.63 -3.09 114.58 119.06 3hbl h GLU 758 Ca 0.47 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 3hbl h GLU 758 Cb 1.47 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.13 3hbl h GLU 758 CO -0.12 0.82 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.43 3hbl h LEU 759 N -0.20 0.87 -2.21 1.33 3.38 -0.68 -2.49 115.31 115.31 3hbl h LEU 759 Ca -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3hbl h LEU 759 Cb 0.83 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hbl h LEU 759 CO 0.05 0.96 -0.03 0.50 0.09 0.00 0.00 178.44 180.00 3hbl h LYS 760 N 0.81 0.00 -0.30 1.13 1.63 0.34 0.23 116.57 120.41 3hbl h LYS 760 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3hbl h LYS 760 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 3hbl h LYS 760 CO 0.03 0.03 0.00 -1.13 -3.45 0.00 0.00 179.45 174.94 3hbl n SER 761 N -3.27 2.80 -0.04 4.20 3.41 -1.14 -4.56 113.62 115.03 3hbl n SER 761 Ca -0.02 -1.92 -0.04 0.00 -0.26 0.00 0.00 58.87 56.63 3hbl n SER 761 Cb 0.19 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 3hbl n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbl n ALA 762 N 0.55 1.82 -2.33 7.33 0.00 -0.09 -5.05 120.51 122.74 3hbl n ALA 762 Ca 0.11 -0.43 -0.18 0.00 0.00 0.00 0.00 53.44 52.94 3hbl n ALA 762 Cb 0.41 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3hbl n ALA 762 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hbl s VAL 763 N -2.17 1.59 -0.09 0.00 -7.23 0.62 -4.93 120.40 108.19 3hbl s VAL 763 Ca -0.07 -2.17 0.22 0.00 -1.81 0.00 0.00 61.98 58.15 3hbl s VAL 763 Cb 0.02 -2.03 -0.33 0.00 0.56 0.00 0.00 36.38 34.61 3hbl s VAL 763 CO 0.26 -0.60 0.52 0.47 -0.31 0.00 0.00 175.10 175.43 3hbl n ASP 765 N -0.35 0.08 -4.74 4.85 10.43 -1.26 -4.58 116.55 120.97 3hbl n ASP 765 Ca -0.08 -0.05 -0.41 0.00 2.57 0.00 0.00 54.79 56.82 3hbl n ASP 765 Cb 0.61 1.90 0.01 0.00 1.84 0.00 0.00 41.12 45.48 3hbl n ASP 765 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3hbl n LEU 766 N -2.23 4.57 -4.68 0.64 4.32 -1.26 -4.96 117.00 113.40 3hbl n LEU 766 Ca -0.03 1.14 -0.37 0.00 -0.02 0.00 0.00 56.01 56.73 3hbl n LEU 766 Cb 0.56 -1.56 0.08 0.00 -1.62 0.00 0.00 43.42 40.87 3hbl n LEU 766 CO 0.46 -0.30 0.75 -2.65 -1.22 0.00 0.00 177.39 174.42 3hbl n PRO 767 N 0.04 0.87 -4.03 3.23 -0.02 -1.26 -4.66 135.00 129.18 3hbl n PRO 767 Ca 0.05 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3hbl n PRO 767 Cb 0.40 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 3hbl n PRO 767 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hbl s ILE 768 N -1.56 4.02 -0.46 4.25 1.09 -1.26 -1.16 121.20 126.13 3hbl s ILE 768 Ca 0.79 -0.29 -0.00 0.00 -1.10 0.00 0.00 60.65 60.05 3hbl s ILE 768 Cb -0.37 -2.82 0.12 0.00 -1.06 0.00 0.00 42.46 38.33 3hbl s ILE 768 CO 0.44 0.42 0.24 -2.28 -0.10 0.00 0.00 174.94 173.66 3hbl s HIS 769 N 1.05 3.52 0.07 3.97 2.46 0.59 -1.53 115.29 125.43 3hbl s HIS 769 Ca 0.02 -2.73 -0.24 0.00 0.47 0.00 0.00 55.06 52.58 3hbl s HIS 769 Cb -0.14 -3.10 -0.06 0.00 -0.13 0.00 0.00 32.58 29.15 3hbl s HIS 769 CO 0.02 -0.90 0.72 -1.17 -2.47 0.00 0.00 174.74 170.94 3hbl s LEU 770 N 0.57 4.49 -0.04 8.88 2.96 0.15 -1.84 118.68 133.86 3hbl s LEU 770 Ca 0.12 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 3hbl s LEU 770 Cb -0.22 -3.17 0.01 0.00 0.50 0.00 0.00 46.19 43.31 3hbl s LEU 770 CO -0.04 0.11 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.72 3hbl s HIS 771 N -0.50 1.11 0.30 5.38 5.65 0.06 -1.61 115.29 125.68 3hbl s HIS 771 Ca 0.36 -0.32 -0.13 0.00 0.25 0.00 0.00 55.06 55.22 3hbl s HIS 771 Cb -0.21 -0.81 0.01 0.00 -1.18 0.00 0.00 32.58 30.40 3hbl s HIS 771 CO 0.23 -0.16 0.59 -0.08 -0.65 0.00 0.00 174.74 174.67 3hbl s THR 772 N 0.39 0.00 0.07 0.89 -1.32 -1.26 -0.29 115.64 114.12 3hbl s THR 772 Ca -0.07 -1.29 0.08 0.00 -1.21 0.00 0.00 61.69 59.20 3hbl s THR 772 Cb -0.11 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 3hbl s THR 772 CO 0.01 0.00 -0.22 -1.00 -2.21 0.00 0.00 174.62 171.20 3hbl s HIS 773 N -3.42 1.90 -0.53 9.09 3.76 -1.24 -4.35 115.29 120.50 3hbl s HIS 773 Ca 0.21 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.82 3hbl s HIS 773 Cb -0.03 -1.09 0.55 0.00 1.11 0.00 0.00 32.58 33.13 3hbl s HIS 773 CO 0.12 0.16 1.34 -3.47 -0.85 0.00 0.00 174.74 172.04 3hbl n ASP 774 N 1.47 4.16 -0.34 1.40 4.64 0.16 -4.17 116.55 123.87 3hbl n ASP 774 Ca -0.18 -2.61 0.07 0.00 -1.38 0.00 0.00 54.79 50.69 3hbl n ASP 774 Cb 0.53 -0.62 0.26 0.00 -1.04 0.00 0.00 41.12 40.25 3hbl n ASP 774 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 3hbl h THR 775 N 2.71 0.94 0.00 5.18 2.02 -0.93 0.31 112.91 123.14 3hbl h THR 775 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3hbl h THR 775 Cb 1.48 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3hbl h THR 775 CO 0.33 0.18 0.00 0.77 0.37 0.00 0.00 175.52 177.16 3hbl h SER 776 N 0.97 0.00 0.00 4.18 4.64 -1.79 -2.17 113.55 119.38 3hbl h SER 776 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3hbl h SER 776 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hbl h SER 776 CO -0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 3hbl n GLY 777 N 0.11 1.70 1.65 -0.77 0.00 0.11 -4.49 105.19 103.50 3hbl n GLY 777 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3hbl n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbl n ASN 778 N 0.00 4.94 0.03 1.61 5.03 -1.26 -4.64 115.26 120.96 3hbl n ASN 778 Ca 0.00 -2.63 -0.10 0.00 0.87 0.00 0.00 54.58 52.73 3hbl n ASN 778 Cb 0.00 -0.62 -0.06 0.00 -1.02 0.00 0.00 39.78 38.08 3hbl n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hbl h GLY 779 N 4.21 -1.24 -0.15 7.41 0.00 -1.81 -1.65 103.07 109.85 3hbl h GLY 779 Ca 0.00 0.64 0.12 0.00 0.00 0.00 0.00 47.33 48.09 3hbl h GLY 779 CO 0.33 -0.35 -0.10 1.41 0.00 0.00 0.00 176.54 177.83 3hbl h LEU 780 N -0.41 -0.47 -1.09 3.11 -0.00 -1.96 -1.21 115.31 113.28 3hbl h LEU 780 Ca 0.01 0.17 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 3hbl h LEU 780 Cb 0.44 0.34 -0.05 0.00 -0.00 0.00 0.00 40.66 41.38 3hbl h LEU 780 CO -0.22 -0.17 0.62 -0.07 -0.00 0.00 0.00 178.44 178.59 3hbl h LEU 781 N 0.03 1.02 -0.41 1.67 3.38 -1.87 0.65 115.31 119.79 3hbl h LEU 781 Ca 0.30 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hbl h LEU 781 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3hbl h LEU 781 CO -0.59 0.70 0.14 0.74 0.09 0.00 0.00 178.44 179.53 3hbl h THR 782 N 1.19 1.21 -0.34 0.22 2.02 -0.25 -1.37 112.91 115.59 3hbl h THR 782 Ca 0.37 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3hbl h THR 782 Cb 0.00 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3hbl h THR 782 CO -0.11 0.24 0.02 1.88 0.37 0.00 0.00 175.52 177.92 3hbl h TYR 783 N 0.51 0.63 -0.77 3.16 0.99 -1.06 0.05 116.97 120.48 3hbl h TYR 783 Ca 0.13 -0.10 0.09 0.00 2.00 0.00 0.00 58.73 60.85 3hbl h TYR 783 Cb 0.23 -0.17 -0.07 0.00 1.00 0.00 0.00 36.73 37.73 3hbl h TYR 783 CO 0.01 0.68 0.42 -0.22 -0.00 0.00 0.00 178.16 179.04 3hbl h LYS 784 N 0.39 0.69 -0.11 4.88 3.11 -0.76 0.41 116.57 125.18 3hbl h LYS 784 Ca 0.10 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.72 3hbl h LYS 784 Cb 0.41 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 3hbl h LYS 784 CO 0.01 0.46 -0.67 1.96 -2.81 0.00 0.00 179.45 178.40 3hbl h GLN 785 N 0.71 0.45 -0.28 1.90 1.08 -1.18 -2.78 115.11 115.02 3hbl h GLN 785 Ca 0.37 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3hbl h GLN 785 Cb 0.35 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3hbl h GLN 785 CO -0.25 0.96 0.18 0.00 -0.95 0.00 0.00 178.83 178.78 3hbl h ALA 786 N 0.95 0.35 -0.77 3.87 0.00 0.35 -2.92 119.26 121.08 3hbl h ALA 786 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hbl h ALA 786 Cb 1.24 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3hbl h ALA 786 CO 0.12 -0.18 0.47 0.82 0.00 0.00 0.00 179.25 180.48 3hbl h ILE 787 N 0.37 1.05 0.00 0.00 2.04 -0.22 -1.68 117.51 119.08 3hbl h ILE 787 Ca 0.10 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3hbl h ILE 787 Cb -0.04 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3hbl h ILE 787 CO -0.02 0.16 0.00 0.44 0.00 0.00 0.00 178.15 178.73 3hbl h ASP 788 N 0.88 0.00 -0.69 1.72 3.32 -1.32 -0.41 116.42 119.93 3hbl h ASP 788 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3hbl h ASP 788 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hbl h ASP 788 CO -0.15 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3hbl n ALA 789 N -1.96 2.57 -1.67 3.45 0.00 -0.65 -4.97 120.51 117.28 3hbl n ALA 789 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.12 3hbl n ALA 789 Cb 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3hbl n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 790 N 1.49 0.67 3.77 0.00 0.00 -0.16 -3.99 105.19 106.97 3hbl n GLY 790 Ca 0.24 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3hbl n GLY 790 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s VAL 791 N -2.04 3.00 -0.14 1.61 0.11 -1.12 -4.91 120.40 116.92 3hbl s VAL 791 Ca 0.00 1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.96 3hbl s VAL 791 Cb 0.00 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 31.16 3hbl s VAL 791 CO 0.00 0.23 -0.01 0.44 -3.33 0.00 0.00 175.10 172.44 3hbl h ASP 792 N 3.49 0.00 -3.76 3.54 3.45 -1.65 -3.46 116.42 118.03 3hbl h ASP 792 Ca -0.48 -0.14 -0.58 0.00 0.43 0.00 0.00 57.03 56.26 3hbl h ASP 792 Cb 1.22 0.00 -0.32 0.00 -0.56 0.00 0.00 39.33 39.67 3hbl h ASP 792 CO 0.66 0.79 -0.84 -0.63 -1.57 0.00 0.00 179.24 177.64 3hbl s ILE 793 N -2.04 1.53 0.15 0.35 1.01 -0.79 -1.97 121.20 119.44 3hbl s ILE 793 Ca -0.12 -0.76 0.11 0.00 0.00 0.00 0.00 60.65 59.88 3hbl s ILE 793 Cb 0.02 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3hbl s ILE 793 CO 0.23 0.44 -0.26 0.27 0.00 0.00 0.00 174.94 175.62 3hbl s ILE 794 N 0.16 2.27 -0.13 2.92 -5.25 -0.78 0.30 121.20 120.68 3hbl s ILE 794 Ca -0.08 -1.85 -0.18 0.00 -0.99 0.00 0.00 60.65 57.56 3hbl s ILE 794 Cb -0.13 -2.03 -0.04 0.00 2.95 0.00 0.00 42.46 43.21 3hbl s ILE 794 CO 0.03 0.01 0.45 -1.81 -1.79 0.00 0.00 174.94 171.84 3hbl s ASP 795 N -2.26 6.65 0.11 4.36 1.11 -0.63 -1.39 116.67 124.61 3hbl s ASP 795 Ca 0.16 0.77 -0.03 0.00 0.18 0.00 0.00 52.55 53.63 3hbl s ASP 795 Cb -0.09 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 3hbl s ASP 795 CO 0.07 0.01 0.08 0.42 1.18 0.00 0.00 175.17 176.93 3hbl s THR 796 N 0.63 0.13 0.18 -1.27 -4.23 -0.47 -4.63 115.64 105.98 3hbl s THR 796 Ca 0.25 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3hbl s THR 796 Cb -0.15 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 3hbl s THR 796 CO 0.09 -0.58 -0.07 0.00 -0.54 0.00 0.00 174.62 173.52 3hbl s ALA 797 N -3.99 1.63 0.43 3.99 0.00 -1.03 -1.79 121.76 121.00 3hbl s ALA 797 Ca 0.17 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.31 3hbl s ALA 797 Cb 0.07 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.28 3hbl s ALA 797 CO -0.02 -0.13 1.10 0.14 0.00 0.00 0.00 175.76 176.85 3hbl s VAL 798 N -3.32 3.46 0.15 0.00 -7.23 -1.26 -0.74 120.40 111.47 3hbl s VAL 798 Ca 0.21 1.09 -0.15 0.00 -1.81 0.00 0.00 61.98 61.31 3hbl s VAL 798 Cb 0.03 -3.55 0.11 0.00 0.56 0.00 0.00 36.38 33.53 3hbl s VAL 798 CO 0.04 -0.02 1.12 0.00 -0.31 0.00 0.00 175.10 175.92 3hbl n ALA 799 N -0.33 -0.20 1.57 1.32 0.00 -1.26 0.10 120.51 121.70 3hbl n ALA 799 Ca 0.06 0.69 0.11 0.00 0.00 0.00 0.00 53.44 54.30 3hbl n ALA 799 Cb 0.49 -0.26 0.66 0.00 0.00 0.00 0.00 19.45 20.34 3hbl n ALA 799 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hbl n SER 800 N -5.01 0.00 -0.60 0.00 3.41 -1.26 -1.76 113.62 108.39 3hbl n SER 800 Ca 0.06 -0.87 0.05 0.00 -0.26 0.00 0.00 58.87 57.84 3hbl n SER 800 Cb 0.26 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 3hbl n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hbl n MET 801 N -0.94 0.73 -4.52 4.33 2.00 0.28 -4.70 117.12 114.30 3hbl n MET 801 Ca 0.17 -2.19 -0.27 0.00 0.00 0.00 0.00 57.70 55.40 3hbl n MET 801 Cb 0.08 -0.94 -0.10 0.00 0.00 0.00 0.00 33.22 32.25 3hbl n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hbl s SER 802 N -2.26 3.97 0.00 7.83 1.04 -0.69 -4.61 113.70 118.98 3hbl s SER 802 Ca 0.25 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.38 3hbl s SER 802 Cb 0.25 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3hbl s SER 802 CO -0.04 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3hbl n GLY 803 N -1.01 0.12 7.00 7.32 0.00 -0.73 -4.87 105.19 113.01 3hbl n GLY 803 Ca -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3hbl n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 804 N -0.93 0.00 0.01 0.99 4.77 -1.25 -1.04 117.00 119.56 3hbl n LEU 804 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3hbl n LEU 804 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 3hbl n LEU 804 CO 0.00 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.10 3hbl n THR 805 N 0.00 1.23 -1.01 -5.08 -2.24 -1.26 -0.40 114.28 105.51 3hbl n THR 805 Ca 0.00 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3hbl n THR 805 Cb 0.00 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 3hbl n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hbl n SER 806 N -1.57 0.00 -4.97 3.42 2.88 -0.20 -4.50 113.62 108.67 3hbl n SER 806 Ca 0.02 -0.58 -0.21 0.00 -1.33 0.00 0.00 58.87 56.78 3hbl n SER 806 Cb 0.13 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.59 3hbl n SER 806 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hbl s GLN 807 N -1.33 3.20 0.46 -1.46 0.00 -1.26 0.38 119.66 119.65 3hbl s GLN 807 Ca 0.00 -0.78 -0.22 0.00 -0.00 0.00 0.00 55.36 54.35 3hbl s GLN 807 Cb 0.00 -2.76 -0.10 0.00 0.00 0.00 0.00 33.01 30.15 3hbl s GLN 807 CO 0.00 0.07 0.87 -2.30 0.00 0.00 0.00 175.29 173.93 3hbl n PRO 808 N -1.71 1.05 -1.69 9.60 -0.02 -1.26 -1.78 135.00 139.19 3hbl n PRO 808 Ca -0.02 0.38 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3hbl n PRO 808 Cb 0.58 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 3hbl n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hbl n SER 809 N 0.44 3.99 -0.08 2.55 2.88 -1.26 -2.48 113.62 119.67 3hbl n SER 809 Ca 0.11 0.99 -0.08 0.00 -1.33 0.00 0.00 58.87 58.56 3hbl n SER 809 Cb 0.41 -1.54 0.08 0.00 -0.75 0.00 0.00 64.21 62.41 3hbl n SER 809 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hbl h ALA 810 N 8.37 0.83 -0.53 -1.46 0.00 -1.26 -1.01 119.26 124.20 3hbl h ALA 810 Ca -0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 3hbl h ALA 810 Cb 1.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hbl h ALA 810 CO 0.95 0.64 0.17 -0.91 0.00 0.00 0.00 179.25 180.10 3hbl h ASN 811 N 0.65 0.77 -0.29 0.00 -0.26 -1.91 0.01 115.58 114.54 3hbl h ASN 811 Ca 0.08 -0.20 -0.09 0.00 -0.56 0.00 0.00 56.30 55.53 3hbl h ASN 811 Cb 0.80 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 3hbl h ASN 811 CO 0.07 0.76 -0.17 0.28 -1.06 0.00 0.00 177.43 177.31 3hbl h SER 812 N 0.73 0.65 -0.60 5.81 0.02 -1.92 -3.12 113.55 115.11 3hbl h SER 812 Ca 0.17 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3hbl h SER 812 Cb 0.27 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3hbl h SER 812 CO -0.01 0.93 0.25 0.25 -1.14 0.00 0.00 176.83 177.12 3hbl h LEU 813 N 0.37 0.84 -0.06 5.07 5.85 -0.99 -2.27 115.31 124.12 3hbl h LEU 813 Ca 0.06 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3hbl h LEU 813 Cb 0.70 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3hbl h LEU 813 CO 0.05 0.75 -0.30 0.22 -0.34 0.00 0.00 178.44 178.82 3hbl h TYR 814 N 0.91 -0.82 0.00 1.25 3.20 -0.93 -1.79 116.97 118.78 3hbl h TYR 814 Ca 0.21 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3hbl h TYR 814 Cb 0.17 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3hbl h TYR 814 CO 0.01 -0.39 -0.30 1.88 -1.64 0.00 0.00 178.16 177.72 3hbl h TYR 815 N -0.42 0.00 0.00 -3.82 -1.99 -1.54 -3.14 116.97 106.07 3hbl h TYR 815 Ca 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 3hbl h TYR 815 Cb 0.53 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.26 3hbl h TYR 815 CO -0.36 0.30 -0.13 0.00 -0.00 0.00 0.00 178.16 177.97 3hbl h ALA 816 N 1.70 1.43 -0.01 3.88 0.00 -0.72 -2.77 119.26 122.77 3hbl h ALA 816 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hbl h ALA 816 Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hbl h ALA 816 CO 0.04 0.17 -0.40 1.28 0.00 0.00 0.00 179.25 180.34 3hbl n LEU 817 N -3.88 1.06 -4.54 0.00 4.77 -1.12 -4.86 117.00 108.44 3hbl n LEU 817 Ca -0.02 -0.30 -0.55 0.00 -0.03 0.00 0.00 56.01 55.11 3hbl n LEU 817 Cb 0.23 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3hbl n LEU 817 CO 0.32 0.21 1.59 0.59 -1.33 0.00 0.00 177.39 178.77 3hbl n ASN 818 N -0.81 2.09 0.00 -1.43 5.03 -1.05 -0.62 115.26 118.47 3hbl n ASN 818 Ca 0.10 0.74 0.00 0.00 0.87 0.00 0.00 54.58 56.29 3hbl n ASN 818 Cb 0.36 -1.16 0.00 0.00 -1.02 0.00 0.00 39.78 37.96 3hbl n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 819 N 5.64 3.05 3.78 7.41 0.00 -1.26 -5.06 105.19 118.75 3hbl n GLY 819 Ca 0.36 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3hbl n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 820 N -1.16 2.72 0.24 1.61 0.40 0.21 -4.95 117.98 117.04 3hbl s PHE 820 Ca 0.00 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.75 3hbl s PHE 820 Cb 0.00 -3.25 0.32 0.00 0.51 0.00 0.00 43.02 40.60 3hbl s PHE 820 CO 0.00 -1.47 1.58 -1.35 0.70 0.00 0.00 175.22 174.68 3hbl h PRO 821 N 1.22 -0.02 -5.46 0.24 0.11 -1.97 -3.41 132.00 122.71 3hbl h PRO 821 Ca -0.50 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 3hbl h PRO 821 Cb 1.26 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.27 3hbl h PRO 821 CO 0.57 -0.01 -0.46 1.03 -0.21 0.00 0.00 178.00 178.92 3hbl s ARG 822 N -6.18 3.91 0.33 1.05 0.52 -1.26 -5.10 118.95 112.21 3hbl s ARG 822 Ca -0.15 -0.13 0.07 0.00 -0.52 0.00 0.00 55.73 55.01 3hbl s ARG 822 Cb 0.22 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 3hbl s ARG 822 CO 0.75 0.49 0.30 -3.38 0.02 0.00 0.00 175.30 173.47 3hbl s HIS 823 N -0.20 2.93 -0.16 -0.53 -3.43 -1.26 -4.87 115.29 107.77 3hbl s HIS 823 Ca 0.12 -0.28 -0.22 0.00 -0.80 0.00 0.00 55.06 53.88 3hbl s HIS 823 Cb -0.12 -1.78 -0.03 0.00 -1.43 0.00 0.00 32.58 29.23 3hbl s HIS 823 CO 0.01 0.20 0.66 -1.17 -2.00 0.00 0.00 174.74 172.44 3hbl s LEU 824 N -3.99 4.20 -0.72 5.38 2.96 -1.26 -1.37 118.68 123.88 3hbl s LEU 824 Ca 0.40 0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 55.04 3hbl s LEU 824 Cb -0.06 -2.96 0.07 0.00 0.50 0.00 0.00 46.19 43.73 3hbl s LEU 824 CO 0.27 -0.23 1.06 -0.60 -1.32 0.00 0.00 176.35 175.52 3hbl s ARG 825 N 1.59 3.19 0.03 1.98 3.52 -0.58 -4.91 118.95 123.78 3hbl s ARG 825 Ca 0.32 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 55.01 3hbl s ARG 825 Cb -0.16 -4.34 0.02 0.00 -1.56 0.00 0.00 34.95 28.91 3hbl s ARG 825 CO 0.12 -1.89 0.33 -2.37 -0.81 0.00 0.00 175.30 170.69 3hbl n THR 826 N 6.00 0.00 -3.64 4.11 5.66 -1.26 -4.48 114.28 120.67 3hbl n THR 826 Ca 0.02 -0.13 -0.39 0.00 -3.05 0.00 0.00 64.05 60.50 3hbl n THR 826 Cb 0.47 0.21 -0.12 0.00 -1.55 0.00 0.00 70.33 69.34 3hbl n THR 826 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3hbl s ASP 827 N -1.77 5.60 0.02 1.09 3.68 -1.24 -5.01 116.67 119.05 3hbl s ASP 827 Ca 0.08 -0.60 -0.14 0.00 2.13 0.00 0.00 52.55 54.01 3hbl s ASP 827 Cb -0.01 -2.01 -0.08 0.00 -1.45 0.00 0.00 42.92 39.37 3hbl s ASP 827 CO 0.01 -0.23 1.16 0.40 0.13 0.00 0.00 175.17 176.65 3hbl h ILE 828 N 5.69 0.00 -0.25 4.11 5.03 -1.97 -2.02 117.51 128.10 3hbl h ILE 828 Ca -0.31 -0.02 0.03 0.00 -0.12 0.00 0.00 64.86 64.44 3hbl h ILE 828 Cb 1.14 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 3hbl h ILE 828 CO 0.62 0.00 0.17 -0.08 -0.68 0.00 0.00 178.15 178.18 3hbl h GLU 829 N -0.54 0.18 -0.17 2.37 4.81 -1.99 -1.33 114.58 117.92 3hbl h GLU 829 Ca -0.05 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3hbl h GLU 829 Cb 0.40 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hbl h GLU 829 CO 0.09 0.12 -0.13 0.78 -0.73 0.00 0.00 179.01 179.14 3hbl h GLY 830 N 0.19 0.42 1.22 1.92 0.00 -1.95 -1.60 103.07 103.27 3hbl h GLY 830 Ca 0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 3hbl h GLY 830 CO -0.02 0.37 0.04 -0.33 0.00 0.00 0.00 176.54 176.61 3hbl h MET 831 N 0.05 0.95 -0.30 4.80 2.86 -0.66 0.13 114.93 122.76 3hbl h MET 831 Ca 0.03 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 3hbl h MET 831 Cb 0.65 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 3hbl h MET 831 CO 0.03 0.91 -0.12 0.93 1.06 0.00 0.00 176.91 179.73 3hbl h GLU 832 N 0.89 -0.07 -0.86 1.72 4.39 -1.24 0.43 114.58 119.84 3hbl h GLU 832 Ca 0.17 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 3hbl h GLU 832 Cb 0.46 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 3hbl h GLU 832 CO 0.02 -0.05 0.57 1.03 -1.16 0.00 0.00 179.01 179.42 3hbl h SER 833 N -0.07 0.96 -0.15 1.42 0.87 -0.67 -1.73 113.55 114.18 3hbl h SER 833 Ca 0.15 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3hbl h SER 833 Cb 0.30 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3hbl h SER 833 CO -0.34 0.68 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.52 3hbl h LEU 834 N 1.12 0.29 -0.55 2.23 3.38 -0.19 -2.86 115.31 118.73 3hbl h LEU 834 Ca 0.33 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3hbl h LEU 834 Cb -0.06 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.52 3hbl h LEU 834 CO -0.08 0.61 -0.02 -1.28 0.09 0.00 0.00 178.44 177.75 3hbl h SER 835 N -0.02 -0.29 -0.81 -0.43 0.87 0.37 0.15 113.55 113.39 3hbl h SER 835 Ca 0.04 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3hbl h SER 835 Cb 0.48 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 3hbl h SER 835 CO 0.02 -0.11 0.51 0.45 -0.53 0.00 0.00 176.83 177.16 3hbl h HIS 836 N 0.09 1.05 0.13 2.24 3.86 -1.35 0.29 115.15 121.47 3hbl h HIS 836 Ca 0.28 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3hbl h HIS 836 Cb 0.44 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3hbl h HIS 836 CO -0.36 0.69 -0.06 -0.92 0.86 0.00 0.00 177.93 178.13 3hbl h TYR 837 N 1.12 -0.17 0.00 2.45 3.20 -0.97 -3.06 116.97 119.54 3hbl h TYR 837 Ca 0.29 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3hbl h TYR 837 Cb -0.07 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3hbl h TYR 837 CO 0.00 0.13 -0.01 -1.49 -1.64 0.00 0.00 178.16 175.15 3hbl h TRP 838 N -0.46 0.00 -0.57 -3.82 4.06 -0.53 -1.67 115.95 112.95 3hbl h TRP 838 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 3hbl h TRP 838 Cb 0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 3hbl h TRP 838 CO 0.02 0.01 0.32 1.03 -3.56 0.00 0.00 178.44 176.26 3hbl h SER 839 N 0.00 0.70 0.04 -3.49 0.87 -0.38 -1.32 113.55 109.98 3hbl h SER 839 Ca -0.00 -0.08 -0.22 0.00 -1.23 0.00 0.00 61.79 60.26 3hbl h SER 839 Cb 0.58 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 3hbl h SER 839 CO 0.00 0.58 -0.89 0.74 -0.53 0.00 0.00 176.83 176.73 3hbl h THR 840 N 0.76 1.36 -0.70 2.23 2.02 -1.36 -3.29 112.91 113.93 3hbl h THR 840 Ca 0.20 -2.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.06 3hbl h THR 840 Cb 0.03 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 3hbl h THR 840 CO -0.03 0.68 0.23 0.58 0.37 0.00 0.00 175.52 177.34 3hbl h VAL 841 N 0.08 1.25 -0.42 3.16 2.07 -1.31 -1.87 116.25 119.22 3hbl h VAL 841 Ca -0.12 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3hbl h VAL 841 Cb 1.59 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3hbl h VAL 841 CO 0.17 0.34 0.28 -0.09 0.02 0.00 0.00 177.57 178.29 3hbl h ARG 842 N 1.04 0.33 -0.20 1.57 2.43 -1.34 -0.38 114.38 117.82 3hbl h ARG 842 Ca 0.23 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 3hbl h ARG 842 Cb 0.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hbl h ARG 842 CO -0.01 0.22 0.23 0.00 -1.51 0.00 0.00 179.97 178.90 3hbl h THR 843 N 0.34 0.44 -0.12 0.20 1.03 -1.40 0.17 112.91 113.57 3hbl h THR 843 Ca 0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.49 3hbl h THR 843 Cb 0.29 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 68.17 3hbl h THR 843 CO -0.04 0.00 -0.35 1.88 -0.01 0.00 0.00 175.52 177.00 3hbl h TYR 844 N 0.00 0.28 -0.65 0.00 0.99 -1.16 -3.27 116.97 113.15 3hbl h TYR 844 Ca 0.10 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3hbl h TYR 844 Cb 0.56 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.23 3hbl h TYR 844 CO 0.00 0.56 0.00 0.66 -0.00 0.00 0.00 178.16 179.38 3hbl n TYR 845 N -4.08 1.59 -0.32 4.88 4.02 0.60 -4.65 117.16 119.20 3hbl n TYR 845 Ca -0.01 -0.63 0.15 0.00 -0.01 0.00 0.00 57.90 57.41 3hbl n TYR 845 Cb 0.43 -0.28 0.35 0.00 -0.02 0.00 0.00 39.34 39.82 3hbl n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hbl h SER 846 N 4.16 0.44 0.00 7.72 4.64 -1.60 0.16 113.55 129.06 3hbl h SER 846 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hbl h SER 846 Cb 1.54 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3hbl h SER 846 CO 0.27 0.01 0.28 0.44 -0.87 0.00 0.00 176.83 176.96 3hbl h ASP 847 N 0.44 0.00 -0.01 4.97 3.32 -1.90 -0.80 116.42 122.44 3hbl h ASP 847 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 3hbl h ASP 847 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3hbl h ASP 847 CO -0.52 0.00 -0.20 0.49 -1.72 0.00 0.00 179.24 177.28 3hbl n PHE 848 N -2.37 0.00 -1.69 4.55 3.01 0.54 -5.00 117.46 116.51 3hbl n PHE 848 Ca -0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 3hbl n PHE 848 Cb 0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 3hbl n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hbl n GLU 849 N 0.20 2.22 -1.00 -1.08 -0.58 -0.31 -4.12 120.64 115.96 3hbl n GLU 849 Ca 0.07 0.79 -0.29 0.00 -0.42 0.00 0.00 57.16 57.31 3hbl n GLU 849 Cb 0.34 -2.51 0.18 0.00 -0.57 0.00 0.00 31.44 28.88 3hbl n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hbl s SER 852 N 0.53 2.54 -0.07 1.62 0.15 -1.24 -4.96 113.70 112.28 3hbl s SER 852 Ca 0.70 1.44 0.09 0.00 0.70 0.00 0.00 55.95 58.88 3hbl s SER 852 Cb -0.62 -2.12 0.36 0.00 -1.71 0.00 0.00 66.02 61.94 3hbl s SER 852 CO 0.46 -3.22 1.18 0.47 1.20 0.00 0.00 173.24 173.33 3hbl n ASP 853 N -4.26 2.71 -4.72 5.45 9.92 -1.26 -4.79 116.55 119.60 3hbl n ASP 853 Ca 0.06 -2.26 -0.36 0.00 -0.53 0.00 0.00 54.79 51.70 3hbl n ASP 853 Cb 0.55 -0.44 -0.07 0.00 -0.64 0.00 0.00 41.12 40.52 3hbl n ASP 853 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3hbl s ILE 854 N -1.71 5.31 0.00 0.53 -5.25 -1.26 -4.92 121.20 113.90 3hbl s ILE 854 Ca 0.25 0.50 0.00 0.00 -0.99 0.00 0.00 60.65 60.42 3hbl s ILE 854 Cb 0.17 -3.62 0.00 0.00 2.95 0.00 0.00 42.46 41.96 3hbl s ILE 854 CO 0.11 0.38 0.50 2.29 -1.79 0.00 0.00 174.94 176.43 3hbl n LYS 855 N 3.72 -0.81 -4.01 0.37 2.85 -1.26 -5.05 118.16 113.97 3hbl n LYS 855 Ca -0.12 -0.52 -0.10 0.00 -1.05 0.00 0.00 58.31 56.51 3hbl n LYS 855 Cb 0.52 -0.98 -0.11 0.00 -0.65 0.00 0.00 35.03 33.80 3hbl n LYS 855 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3hbl s SER 856 N -0.04 0.43 0.38 -5.58 0.01 -1.26 -5.09 113.70 102.56 3hbl s SER 856 Ca 0.00 -0.52 -0.27 0.00 1.31 0.00 0.00 55.95 56.47 3hbl s SER 856 Cb 0.00 0.08 -0.11 0.00 0.21 0.00 0.00 66.02 66.20 3hbl s SER 856 CO 0.00 -0.27 1.38 -0.81 0.41 0.00 0.00 173.24 173.95 3hbl n PRO 857 N 1.55 2.34 -4.08 12.44 -0.04 -1.26 -5.00 135.00 140.95 3hbl n PRO 857 Ca -0.24 0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 63.75 3hbl n PRO 857 Cb 0.55 -2.51 -0.17 0.00 -0.04 0.00 0.00 33.50 31.33 3hbl n PRO 857 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3hbl s ASN 858 N -0.29 2.59 0.00 3.54 2.47 -0.82 -4.95 114.94 117.48 3hbl s ASN 858 Ca 0.56 -0.46 0.27 0.00 0.42 0.00 0.00 52.86 53.66 3hbl s ASN 858 Cb -0.51 -1.13 0.96 0.00 -1.45 0.00 0.00 41.25 39.13 3hbl s ASN 858 CO 0.62 -0.05 1.73 0.35 -3.72 0.00 0.00 177.10 176.03 3hbl n THR 859 N 4.70 0.00 0.73 -5.21 -2.24 -1.26 -3.49 114.28 107.51 3hbl n THR 859 Ca -0.17 -0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3hbl n THR 859 Cb 0.50 -0.20 0.43 0.00 -2.10 0.00 0.00 70.33 68.96 3hbl n THR 859 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hbl n GLU 860 N -1.48 0.07 0.29 -0.78 1.02 -1.26 -2.51 120.64 115.98 3hbl n GLU 860 Ca 0.07 0.15 0.16 0.00 -0.02 0.00 0.00 57.16 57.52 3hbl n GLU 860 Cb 0.34 -1.50 0.88 0.00 -0.02 0.00 0.00 31.44 31.14 3hbl n GLU 860 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hbl h ILE 861 N 0.00 0.38 0.00 -3.67 1.08 -1.96 0.17 117.51 113.51 3hbl h ILE 861 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hbl h ILE 861 Cb 0.30 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.25 3hbl h ILE 861 CO 0.00 0.05 0.00 -1.22 -0.69 0.00 0.00 178.15 176.29 3hbl n TYR 862 N -3.52 0.84 -0.05 1.37 0.53 -1.05 -0.62 117.16 114.67 3hbl n TYR 862 Ca -0.02 0.36 -0.22 0.00 -1.02 0.00 0.00 57.90 56.99 3hbl n TYR 862 Cb 0.17 -1.07 -0.13 0.00 -1.03 0.00 0.00 39.34 37.28 3hbl n TYR 862 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3hbl n GLN 863 N -2.29 0.67 -0.12 -0.72 1.13 0.57 -4.62 117.38 112.00 3hbl n GLN 863 Ca 0.01 0.37 0.06 0.00 -1.94 0.00 0.00 57.00 55.51 3hbl n GLN 863 Cb 0.19 -1.70 0.12 0.00 0.11 0.00 0.00 30.24 28.96 3hbl n GLN 863 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 3hbl n HIS 864 N -3.88 0.31 -4.26 1.08 1.44 -1.11 -4.83 115.22 103.96 3hbl n HIS 864 Ca -0.34 -0.31 -0.38 0.00 -2.01 0.00 0.00 57.72 54.68 3hbl n HIS 864 Cb 0.90 -0.02 -0.07 0.00 0.12 0.00 0.00 29.99 30.92 3hbl n HIS 864 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3hbl n GLU 865 N 0.64 -0.88 -2.64 -1.40 1.02 0.21 -4.54 120.64 113.04 3hbl n GLU 865 Ca 0.11 0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.94 3hbl n GLU 865 Cb 0.39 -4.49 -0.02 0.00 -0.02 0.00 0.00 31.44 27.30 3hbl n GLU 865 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3hbl s MET 866 N -6.80 4.37 0.27 3.49 1.75 -1.26 -4.85 119.30 116.28 3hbl s MET 866 Ca 0.74 1.43 -0.30 0.00 -1.25 0.00 0.00 55.69 56.31 3hbl s MET 866 Cb -0.43 -3.57 -0.13 0.00 2.84 0.00 0.00 34.83 33.53 3hbl s MET 866 CO 0.91 -0.42 1.28 -2.30 -0.65 0.00 0.00 175.02 173.84 3hbl n PRO 867 N 5.38 1.84 0.12 4.11 -0.02 -1.26 -4.57 135.00 140.60 3hbl n PRO 867 Ca 0.10 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 3hbl n PRO 867 Cb 0.48 -2.22 0.47 0.00 -0.02 0.00 0.00 33.50 32.21 3hbl n PRO 867 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbl n GLY 868 N 1.59 -1.16 0.14 -1.23 0.00 0.36 -2.20 105.19 102.68 3hbl n GLY 868 Ca 0.10 0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3hbl n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbl h GLY 869 N 1.89 0.30 1.91 -0.02 0.00 -1.79 -3.36 103.07 102.01 3hbl h GLY 869 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3hbl h GLY 869 CO 0.00 0.68 -0.12 -1.61 0.00 0.00 0.00 176.54 175.48 3hbl h GLN 870 N 0.07 0.11 -0.00 4.80 4.15 -1.78 -3.36 115.11 119.10 3hbl h GLN 870 Ca -0.40 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.01 3hbl h GLN 870 Cb 2.04 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.67 3hbl h GLN 870 CO 0.10 0.25 -0.42 -0.92 -1.93 0.00 0.00 178.83 175.90 3hbl h TYR 871 N 0.11 -1.25 -0.05 3.99 3.20 -1.59 0.82 116.97 122.21 3hbl h TYR 871 Ca 0.02 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3hbl h TYR 871 Cb 0.29 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3hbl h TYR 871 CO 0.00 -0.45 -0.46 0.66 -1.64 0.00 0.00 178.16 176.27 3hbl h SER 872 N -0.53 0.12 -0.58 -2.11 4.64 -1.73 -0.42 113.55 112.95 3hbl h SER 872 Ca 0.01 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3hbl h SER 872 Cb 0.57 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3hbl h SER 872 CO -0.28 0.56 0.12 0.78 -0.87 0.00 0.00 176.83 177.14 3hbl h ASN 873 N 0.09 0.90 0.97 4.97 4.21 -1.53 -2.80 115.58 122.39 3hbl h ASN 873 Ca 0.00 -0.25 -0.13 0.00 1.21 0.00 0.00 56.30 57.14 3hbl h ASN 873 Cb 0.85 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 3hbl h ASN 873 CO 0.06 0.91 -0.63 0.25 -1.29 0.00 0.00 177.43 176.73 3hbl h LEU 874 N 0.85 0.00 -0.38 1.61 5.85 0.95 -2.80 115.31 121.38 3hbl h LEU 874 Ca 0.18 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3hbl h LEU 874 Cb 0.38 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3hbl h LEU 874 CO 0.01 0.63 0.17 0.28 -0.34 0.00 0.00 178.44 179.19 3hbl h SER 875 N 0.00 0.51 -0.00 1.25 0.02 -1.03 -0.15 113.55 114.15 3hbl h SER 875 Ca -0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 3hbl h SER 875 Cb 1.29 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3hbl h SER 875 CO 0.08 0.51 -0.07 -0.61 -1.14 0.00 0.00 176.83 175.61 3hbl h GLN 876 N 0.47 0.18 -0.05 3.45 5.75 -1.46 0.69 115.11 124.13 3hbl h GLN 876 Ca 0.13 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3hbl h GLN 876 Cb 0.15 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3hbl h GLN 876 CO -0.01 0.26 -0.10 0.37 -2.65 0.00 0.00 178.83 176.70 3hbl h GLN 877 N 0.17 0.16 -0.76 1.69 4.15 -1.19 -1.82 115.11 117.52 3hbl h GLN 877 Ca 0.04 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 3hbl h GLN 877 Cb 0.24 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3hbl h GLN 877 CO 0.01 0.68 0.34 0.00 -1.93 0.00 0.00 178.83 177.92 3hbl h ALA 878 N 0.48 0.99 -1.00 3.38 0.00 -0.82 -1.42 119.26 120.88 3hbl h ALA 878 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3hbl h ALA 878 Cb 0.67 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3hbl h ALA 878 CO 0.02 0.58 0.65 -0.22 0.00 0.00 0.00 179.25 180.29 3hbl h LYS 879 N 1.09 1.22 -0.06 0.00 3.64 -0.87 0.57 116.57 122.16 3hbl h LYS 879 Ca 0.26 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 3hbl h LYS 879 Cb 0.17 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3hbl h LYS 879 CO -0.03 0.80 -0.71 1.03 -2.27 0.00 0.00 179.45 178.28 3hbl h SER 880 N 1.25 0.36 -0.33 4.20 0.87 -1.01 -3.29 113.55 115.61 3hbl h SER 880 Ca 0.40 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3hbl h SER 880 Cb 0.02 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3hbl h SER 880 CO -0.13 0.96 0.00 0.18 -0.53 0.00 0.00 176.83 177.31 3hbl n LEU 881 N -3.82 3.01 -0.95 2.23 4.32 -0.56 -4.87 117.00 116.35 3hbl n LEU 881 Ca -0.03 -1.52 -0.08 0.00 -0.02 0.00 0.00 56.01 54.36 3hbl n LEU 881 Cb 0.69 -0.48 -0.00 0.00 -1.62 0.00 0.00 43.42 42.00 3hbl n LEU 881 CO 0.47 0.47 -0.10 0.61 -1.22 0.00 0.00 177.39 177.61 3hbl n GLY 882 N 0.59 0.03 0.11 -0.72 0.00 -1.14 -4.95 105.19 99.12 3hbl n GLY 882 Ca 0.14 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3hbl n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 883 N -1.20 1.96 -4.76 0.99 4.77 0.20 -4.95 117.00 114.00 3hbl n LEU 883 Ca -0.10 -2.61 -0.41 0.00 -0.03 0.00 0.00 56.01 52.86 3hbl n LEU 883 Cb 0.57 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3hbl n LEU 883 CO 0.12 0.61 0.98 -0.83 -1.33 0.00 0.00 177.39 176.93 3hbl s GLY 884 N -2.33 2.85 0.00 -0.72 0.00 -1.12 -2.49 107.32 103.51 3hbl s GLY 884 Ca 0.23 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.17 3hbl s GLY 884 CO 0.02 1.95 0.00 -2.21 0.00 0.00 0.00 173.10 172.86 3hbl n GLU 885 N 1.25 0.00 -0.94 2.90 2.13 -1.26 -4.82 120.64 119.90 3hbl n GLU 885 Ca 0.02 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.68 3hbl n GLU 885 Cb 0.42 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.14 3hbl n GLU 885 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hbl n ARG 886 N 0.00 1.80 0.04 5.31 1.74 -1.04 -4.39 116.66 120.12 3hbl n ARG 886 Ca 0.00 -1.46 0.11 0.00 -0.77 0.00 0.00 57.85 55.73 3hbl n ARG 886 Cb 0.00 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 3hbl n ARG 886 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hbl n PHE 887 N 0.68 0.38 0.05 -1.55 7.35 -1.22 -3.55 117.46 119.60 3hbl n PHE 887 Ca 0.30 0.11 -0.05 0.00 -0.76 0.00 0.00 57.45 57.05 3hbl n PHE 887 Cb 0.58 -0.56 0.14 0.00 0.35 0.00 0.00 39.48 39.99 3hbl n PHE 887 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3hbl h ASP 888 N 0.00 0.41 0.88 -2.13 5.19 -1.93 -2.21 116.42 116.63 3hbl h ASP 888 Ca 0.00 -0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.12 3hbl h ASP 888 Cb 0.83 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 3hbl h ASP 888 CO 0.00 0.81 -0.45 -0.33 -3.12 0.00 0.00 179.24 176.15 3hbl h GLU 889 N 0.31 0.00 -0.20 3.56 5.08 -1.91 -2.24 114.58 119.18 3hbl h GLU 889 Ca 0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3hbl h GLU 889 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3hbl h GLU 889 CO 0.08 0.45 -0.66 0.28 -1.00 0.00 0.00 179.01 178.16 3hbl h VAL 890 N 0.00 1.29 -0.68 3.13 2.07 -1.56 -2.45 116.25 118.06 3hbl h VAL 890 Ca -0.00 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.56 3hbl h VAL 890 Cb 1.01 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3hbl h VAL 890 CO 0.06 0.60 0.15 0.11 0.02 0.00 0.00 177.57 178.51 3hbl h LYS 891 N 0.54 1.10 -0.17 1.57 1.57 -1.33 -2.11 116.57 117.74 3hbl h LYS 891 Ca -0.02 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3hbl h LYS 891 Cb 1.26 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 3hbl h LYS 891 CO 0.13 0.98 0.07 -0.44 -0.57 0.00 0.00 179.45 179.63 3hbl h ASP 892 N 1.03 0.22 -0.78 0.86 5.19 -1.38 -3.04 116.42 118.52 3hbl h ASP 892 Ca 0.21 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3hbl h ASP 892 Cb 0.39 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 3hbl h ASP 892 CO 0.00 0.31 0.33 0.24 -3.12 0.00 0.00 179.24 177.00 3hbl h MET 893 N 0.13 1.16 -0.90 3.56 2.86 -1.44 -2.61 114.93 117.68 3hbl h MET 893 Ca 0.06 -0.20 0.20 0.00 -2.06 0.00 0.00 59.70 57.70 3hbl h MET 893 Cb 0.15 -0.19 -0.12 0.00 0.06 0.00 0.00 31.60 31.50 3hbl h MET 893 CO -0.01 0.92 0.43 -0.92 1.06 0.00 0.00 176.91 178.40 3hbl h TYR 894 N 1.13 0.74 -0.57 -0.22 3.20 -1.27 0.60 116.97 120.57 3hbl h TYR 894 Ca 0.26 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 3hbl h TYR 894 Cb 0.19 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3hbl h TYR 894 CO 0.02 0.04 0.15 -0.09 -1.64 0.00 0.00 178.16 176.64 3hbl h ARG 895 N 0.49 0.91 -0.16 1.82 2.43 -1.37 -2.72 114.38 115.78 3hbl h ARG 895 Ca 0.54 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.44 3hbl h ARG 895 Cb 0.96 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3hbl h ARG 895 CO -0.47 0.84 -0.14 0.00 -1.51 0.00 0.00 179.97 178.69 3hbl h ARG 896 N 0.82 0.38 -0.55 0.20 3.08 -0.69 -2.93 114.38 114.69 3hbl h ARG 896 Ca 0.18 -0.19 0.14 0.00 0.07 0.00 0.00 59.98 60.18 3hbl h ARG 896 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3hbl h ARG 896 CO -0.00 0.74 0.39 0.28 -1.07 0.00 0.00 179.97 180.31 3hbl h VAL 897 N 0.03 0.76 0.10 2.04 2.07 0.08 -1.03 116.25 120.31 3hbl h VAL 897 Ca 0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hbl h VAL 897 Cb 0.66 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3hbl h VAL 897 CO 0.04 0.02 -0.05 -1.13 0.02 0.00 0.00 177.57 176.46 3hbl h ASN 898 N 0.09 -0.11 0.85 0.57 -0.73 -1.30 -3.01 115.58 111.94 3hbl h ASN 898 Ca 0.26 -0.38 0.00 0.00 1.87 0.00 0.00 56.30 58.05 3hbl h ASN 898 Cb 0.92 0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.54 3hbl h ASN 898 CO -0.02 0.34 0.00 -0.26 -0.37 0.00 0.00 177.43 177.12 3hbl h PHE 899 N -0.61 0.00 0.00 0.67 -1.00 -1.35 -1.47 116.94 113.18 3hbl h PHE 899 Ca -0.01 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 3hbl h PHE 899 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3hbl h PHE 899 CO 0.07 0.00 -0.44 1.25 -1.61 0.00 0.00 178.31 177.58 3hbl h LEU 900 N 0.00 0.00 -2.83 1.54 5.85 -1.19 -3.23 115.31 115.45 3hbl h LEU 900 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hbl h LEU 900 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hbl h LEU 900 CO 0.00 0.44 0.00 0.49 -0.34 0.00 0.00 178.44 179.03 3hbl n PHE 901 N -3.42 1.01 -1.77 1.25 3.01 -0.60 -4.92 117.46 112.01 3hbl n PHE 901 Ca 0.00 -0.52 0.00 0.00 1.01 0.00 0.00 57.45 57.94 3hbl n PHE 901 Cb 0.60 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 3hbl n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 902 N 1.44 0.65 2.63 1.37 0.00 -1.18 -4.56 105.19 105.56 3hbl n GLY 902 Ca 0.23 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 3hbl n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 903 N 1.65 -6.67 -4.99 1.61 4.64 -0.93 -4.69 116.55 107.17 3hbl n ASP 903 Ca 0.00 0.23 -0.18 0.00 -1.38 0.00 0.00 54.79 53.45 3hbl n ASP 903 Cb 0.43 -4.46 0.02 0.00 -1.04 0.00 0.00 41.12 36.07 3hbl n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hbl s ILE 904 N -2.57 2.72 -0.16 5.18 -4.36 -1.26 -4.90 121.20 115.85 3hbl s ILE 904 Ca 0.12 -1.06 -0.27 0.00 -0.26 0.00 0.00 60.65 59.18 3hbl s ILE 904 Cb -0.03 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 3hbl s ILE 904 CO 0.60 0.00 0.89 -0.69 0.24 0.00 0.00 174.94 175.98 3hbl s VAL 905 N -2.45 4.84 -0.75 8.37 1.01 -1.26 -5.02 120.40 125.14 3hbl s VAL 905 Ca 0.55 1.77 -0.10 0.00 0.00 0.00 0.00 61.98 64.19 3hbl s VAL 905 Cb -0.08 -4.19 0.20 0.00 0.00 0.00 0.00 36.38 32.30 3hbl s VAL 905 CO 0.33 -0.00 0.65 -0.54 0.00 0.00 0.00 175.10 175.54 3hbl s LYS 906 N 2.24 3.23 0.27 2.72 1.02 -1.26 -4.65 119.74 123.30 3hbl s LYS 906 Ca 0.41 -2.47 0.03 0.00 0.02 0.00 0.00 55.97 53.96 3hbl s LYS 906 Cb -0.17 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.92 3hbl s LYS 906 CO 0.13 -1.25 0.20 0.08 -0.92 0.00 0.00 175.35 173.59 3hbl s VAL 907 N 0.12 0.01 0.07 3.17 1.01 -1.26 -4.57 120.40 118.95 3hbl s VAL 907 Ca 0.17 -2.00 -0.31 0.00 0.00 0.00 0.00 61.98 59.84 3hbl s VAL 907 Cb -0.14 -2.50 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 3hbl s VAL 907 CO -0.07 0.00 1.47 0.00 0.00 0.00 0.00 175.10 176.50 3hbl s ALA 908 N -3.80 3.62 -2.54 5.51 0.00 -1.26 0.14 121.76 123.44 3hbl s ALA 908 Ca 0.40 1.08 0.25 0.00 0.00 0.00 0.00 51.96 53.68 3hbl s ALA 908 Cb 0.05 -3.60 0.70 0.00 0.00 0.00 0.00 23.12 20.26 3hbl s ALA 908 CO 0.20 -0.85 1.54 -0.35 0.00 0.00 0.00 175.76 176.30 3hbl n PRO 909 N 4.85 1.94 0.25 0.00 -0.04 -1.26 -4.44 135.00 136.30 3hbl n PRO 909 Ca 0.13 -1.39 0.08 0.00 -0.04 0.00 0.00 63.50 62.28 3hbl n PRO 909 Cb 0.42 -1.46 0.61 0.00 -0.04 0.00 0.00 33.50 33.03 3hbl n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hbl h SER 910 N 3.12 0.00 -0.48 3.54 4.64 0.99 -0.56 113.55 124.79 3hbl h SER 910 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3hbl h SER 910 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3hbl h SER 910 CO 0.00 0.11 -0.21 0.77 -0.87 0.00 0.00 176.83 176.62 3hbl h SER 911 N 0.00 1.02 0.41 4.97 4.64 0.10 -2.67 113.55 122.03 3hbl h SER 911 Ca -0.00 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 60.90 3hbl h SER 911 Cb 0.20 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3hbl h SER 911 CO 0.01 1.19 -0.17 0.50 -0.87 0.00 0.00 176.83 177.49 3hbl h LYS 912 N 0.86 0.00 0.18 4.77 3.64 -1.35 1.54 116.57 126.21 3hbl h LYS 912 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3hbl h LYS 912 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3hbl h LYS 912 CO 0.07 0.17 -0.09 0.28 -2.27 0.00 0.00 179.45 177.61 3hbl h VAL 913 N 0.00 0.69 -0.60 2.00 2.07 -1.22 0.16 116.25 119.35 3hbl h VAL 913 Ca -0.00 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3hbl h VAL 913 Cb 0.42 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 3hbl h VAL 913 CO 0.02 0.18 0.27 0.58 0.02 0.00 0.00 177.57 178.64 3hbl h VAL 914 N -0.92 0.85 -0.73 2.57 2.07 -1.40 0.19 116.25 118.88 3hbl h VAL 914 Ca -0.02 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.47 3hbl h VAL 914 Cb 0.49 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 3hbl h VAL 914 CO 0.04 0.09 0.23 1.23 0.02 0.00 0.00 177.57 179.18 3hbl h GLY 915 N 0.49 1.06 1.37 2.17 0.00 0.22 0.15 103.07 108.52 3hbl h GLY 915 Ca 0.29 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.26 3hbl h GLY 915 CO -0.25 -0.15 -1.14 -0.55 0.00 0.00 0.00 176.54 174.46 3hbl h ASP 916 N 0.34 0.73 -0.16 0.19 5.19 -0.07 -2.78 116.42 119.86 3hbl h ASP 916 Ca 0.41 -0.65 -0.05 0.00 -0.62 0.00 0.00 57.03 56.12 3hbl h ASP 916 Cb 0.65 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 3hbl h ASP 916 CO -0.45 1.46 -0.03 -0.03 -3.12 0.00 0.00 179.24 177.07 3hbl h MET 917 N 0.26 0.44 0.07 3.56 4.05 -0.29 -1.39 114.93 121.62 3hbl h MET 917 Ca -0.14 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.18 3hbl h MET 917 Cb 1.80 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.54 3hbl h MET 917 CO 0.21 0.49 -0.03 0.00 0.23 0.00 0.00 176.91 177.81 3hbl h ALA 918 N 1.56 -0.09 -0.61 0.39 0.00 -0.75 -2.41 119.26 117.35 3hbl h ALA 918 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hbl h ALA 918 Cb 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hbl h ALA 918 CO 0.01 -0.33 0.39 -0.07 0.00 0.00 0.00 179.25 179.26 3hbl h LEU 919 N -0.53 0.70 -0.11 0.00 3.38 -1.38 -2.63 115.31 114.75 3hbl h LEU 919 Ca -0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3hbl h LEU 919 Cb 0.46 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hbl h LEU 919 CO 0.01 0.52 -0.13 0.22 0.09 0.00 0.00 178.44 179.16 3hbl h TYR 920 N 0.83 0.33 0.00 1.13 5.03 -1.29 -2.77 116.97 120.23 3hbl h TYR 920 Ca 0.22 -0.11 -0.12 0.00 2.58 0.00 0.00 58.73 61.31 3hbl h TYR 920 Cb -0.08 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.12 3hbl h TYR 920 CO 0.00 0.71 -0.55 0.52 -1.32 0.00 0.00 178.16 177.52 3hbl h MET 921 N -0.14 0.00 -0.15 1.82 2.86 -1.31 -2.67 114.93 115.35 3hbl h MET 921 Ca 0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3hbl h MET 921 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 3hbl h MET 921 CO 0.03 0.55 -0.12 0.28 1.06 0.00 0.00 176.91 178.72 3hbl h VAL 922 N 0.00 1.34 -1.00 -2.22 2.07 -1.56 0.15 116.25 115.02 3hbl h VAL 922 Ca -0.01 -1.23 0.23 0.00 0.82 0.00 0.00 66.70 66.51 3hbl h VAL 922 Cb 1.02 1.83 -0.10 0.00 -1.52 0.00 0.00 31.29 32.52 3hbl h VAL 922 CO 0.07 0.36 0.63 1.56 0.02 0.00 0.00 177.57 180.21 3hbl h GLN 923 N -0.02 0.54 -0.34 1.57 1.08 -1.27 -2.52 115.11 114.16 3hbl h GLN 923 Ca 0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3hbl h GLN 923 Cb 0.62 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3hbl h GLN 923 CO 0.03 0.36 0.00 0.09 -0.95 0.00 0.00 178.83 178.36 3hbl n ASN 924 N -4.71 3.25 -4.03 1.46 4.13 -1.02 -4.98 115.26 109.35 3hbl n ASN 924 Ca 0.24 -2.28 -0.33 0.00 1.68 0.00 0.00 54.58 53.89 3hbl n ASN 924 Cb 0.72 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 3hbl n ASN 924 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3hbl n ASP 925 N 0.28 -4.25 -4.91 6.41 2.03 -0.72 -4.98 116.55 110.41 3hbl n ASP 925 Ca 0.15 -0.86 -0.27 0.00 0.52 0.00 0.00 54.79 54.32 3hbl n ASP 925 Cb 0.56 -3.42 -0.00 0.00 -0.72 0.00 0.00 41.12 37.54 3hbl n ASP 925 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hbl s LEU 926 N -7.27 3.65 0.00 -2.67 1.43 0.45 -5.03 118.68 109.24 3hbl s LEU 926 Ca 0.70 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 3hbl s LEU 926 Cb -0.36 -3.86 -0.00 0.00 0.03 0.00 0.00 46.19 42.00 3hbl s LEU 926 CO 0.86 -0.56 0.02 -0.90 0.23 0.00 0.00 176.35 176.00 3hbl n ASP 927 N -2.22 -0.05 -0.07 2.29 5.68 -1.26 -4.68 116.55 116.24 3hbl n ASP 927 Ca 0.00 -1.13 -0.11 0.00 -0.50 0.00 0.00 54.79 53.05 3hbl n ASP 927 Cb 0.55 0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 3hbl n ASP 927 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hbl h GLU 928 N 0.00 0.36 0.00 0.11 3.07 -1.99 -2.38 114.58 113.75 3hbl h GLU 928 Ca -0.01 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3hbl h GLU 928 Cb 0.07 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3hbl h GLU 928 CO 0.02 0.48 0.00 1.04 -1.40 0.00 0.00 179.01 179.15 3hbl n GLN 929 N -4.74 0.55 0.00 2.33 6.02 -1.26 -2.71 117.38 117.57 3hbl n GLN 929 Ca -0.04 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.05 3hbl n GLN 929 Cb 0.18 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.30 3hbl n GLN 929 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3hbl n SER 930 N -1.17 0.00 -0.35 1.08 7.64 -0.89 -3.53 113.62 116.40 3hbl n SER 930 Ca 0.15 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3hbl n SER 930 Cb 0.15 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3hbl n SER 930 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3hbl n VAL 931 N -1.25 0.00 -0.08 0.44 0.24 -1.10 -4.13 118.33 112.45 3hbl n VAL 931 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 3hbl n VAL 931 Cb 0.10 0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 3hbl n VAL 931 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3hbl h ILE 932 N 5.22 0.35 0.00 1.34 2.04 -1.60 -2.99 117.51 121.87 3hbl h ILE 932 Ca 0.00 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3hbl h ILE 932 Cb 1.17 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3hbl h ILE 932 CO 0.00 0.12 -1.65 0.41 0.00 0.00 0.00 178.15 177.03 3hbl n THR 933 N -4.56 0.11 0.01 -0.27 -1.04 -1.26 -4.63 114.28 102.64 3hbl n THR 933 Ca -0.16 -0.43 -0.01 0.00 -2.04 0.00 0.00 64.05 61.42 3hbl n THR 933 Cb 0.41 0.07 -0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3hbl n THR 933 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3hbl h ASP 934 N 0.00 -0.04 -5.56 8.00 3.32 -1.79 -3.48 116.42 116.87 3hbl h ASP 934 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3hbl h ASP 934 Cb 0.92 0.01 0.17 0.00 0.22 0.00 0.00 39.33 40.65 3hbl h ASP 934 CO 0.00 0.01 -0.77 0.61 -1.72 0.00 0.00 179.24 177.37 3hbl n GLY 935 N 0.98 -0.45 3.70 2.75 0.00 -1.13 -4.92 105.19 106.12 3hbl n GLY 935 Ca -0.01 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hbl n GLY 935 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbl s TYR 936 N -3.36 3.05 0.13 1.61 2.02 -1.26 -4.93 117.35 114.62 3hbl s TYR 936 Ca 0.06 0.95 -0.31 0.00 -0.37 0.00 0.00 57.07 57.40 3hbl s TYR 936 Cb -0.01 -3.61 -0.10 0.00 -0.40 0.00 0.00 41.96 37.84 3hbl s TYR 936 CO 0.72 -2.16 1.69 -1.59 -1.57 0.00 0.00 175.55 172.64 3hbl s LYS 937 N 1.92 4.17 0.00 -0.62 0.00 -1.26 -4.87 119.74 119.07 3hbl s LYS 937 Ca 0.62 2.46 0.00 0.00 0.00 0.00 0.00 55.97 59.06 3hbl s LYS 937 Cb -0.32 -3.39 0.00 0.00 0.00 0.00 0.00 37.83 34.13 3hbl s LYS 937 CO 0.27 -0.73 0.00 1.28 0.00 0.00 0.00 175.35 176.17 3hbl n LEU 938 N 4.90 0.00 -2.63 2.77 4.77 -1.26 -5.07 117.00 120.49 3hbl n LEU 938 Ca 0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 3hbl n LEU 938 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3hbl n LEU 938 CO 0.63 0.00 0.10 0.47 -1.33 0.00 0.00 177.39 177.26 3hbl n ASP 939 N 0.00 -5.42 -4.75 -1.43 8.00 -1.26 -5.00 116.55 106.68 3hbl n ASP 939 Ca 0.00 -0.32 -0.37 0.00 0.71 0.00 0.00 54.79 54.81 3hbl n ASP 939 Cb 0.00 -3.76 0.03 0.00 -0.02 0.00 0.00 41.12 37.37 3hbl n ASP 939 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3hbl s PHE 940 N -3.17 2.43 0.97 1.24 0.40 -1.26 -4.99 117.98 113.60 3hbl s PHE 940 Ca 0.20 1.47 -0.12 0.00 -0.60 0.00 0.00 56.93 57.88 3hbl s PHE 940 Cb -0.03 -3.58 0.11 0.00 0.51 0.00 0.00 43.02 40.03 3hbl s PHE 940 CO 0.50 -2.35 0.76 -0.35 0.70 0.00 0.00 175.22 174.48 3hbl n PRO 941 N -1.20 -0.63 -0.17 0.24 -0.04 -1.26 -4.77 135.00 127.16 3hbl n PRO 941 Ca 0.11 -0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 3hbl n PRO 941 Cb 0.48 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 3hbl n PRO 941 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3hbl h GLU 942 N -1.84 -0.27 -0.39 0.54 4.22 -2.01 -2.65 114.58 112.17 3hbl h GLU 942 Ca -0.45 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 58.95 3hbl h GLU 942 Cb 1.29 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 3hbl h GLU 942 CO 0.39 -0.18 0.02 0.66 -2.18 0.00 0.00 179.01 177.72 3hbl h SER 943 N -0.28 0.57 0.29 1.04 4.64 -1.93 -1.59 113.55 116.28 3hbl h SER 943 Ca 0.15 -0.11 -0.25 0.00 -0.47 0.00 0.00 61.79 61.11 3hbl h SER 943 Cb 0.57 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3hbl h SER 943 CO -0.64 0.63 -1.04 1.62 -0.87 0.00 0.00 176.83 176.53 3hbl h VAL 944 N 0.58 1.38 0.01 0.95 3.04 -1.75 -1.44 116.25 119.02 3hbl h VAL 944 Ca 0.12 -2.49 -0.24 0.00 -1.01 0.00 0.00 66.70 63.08 3hbl h VAL 944 Cb 0.34 2.52 0.01 0.00 -2.01 0.00 0.00 31.29 32.14 3hbl h VAL 944 CO 0.01 0.75 -1.00 -0.37 -1.01 0.00 0.00 177.57 175.95 3hbl h VAL 945 N 0.24 1.36 -0.88 1.51 -1.51 -1.53 -3.23 116.25 112.21 3hbl h VAL 945 Ca -0.11 -2.40 0.14 0.00 -1.23 0.00 0.00 66.70 63.11 3hbl h VAL 945 Cb 1.69 2.43 -0.09 0.00 -2.13 0.00 0.00 31.29 33.19 3hbl h VAL 945 CO 0.19 0.72 0.49 -1.28 -1.23 0.00 0.00 177.57 176.45 3hbl h SER 946 N 0.28 0.62 -0.68 4.19 0.87 -1.23 -1.64 113.55 115.97 3hbl h SER 946 Ca -0.10 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3hbl h SER 946 Cb 1.64 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 3hbl h SER 946 CO 0.18 0.28 0.15 0.15 -0.53 0.00 0.00 176.83 177.06 3hbl h PHE 947 N 0.70 1.17 0.00 2.24 -0.00 -1.31 -1.55 116.94 118.19 3hbl h PHE 947 Ca 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 57.97 58.30 3hbl h PHE 947 Cb 0.64 -0.33 0.00 0.00 -0.00 0.00 0.00 35.95 36.26 3hbl h PHE 947 CO -0.07 0.95 0.00 1.19 -0.00 0.00 0.00 178.31 180.39 3hbl n PHE 948 N -4.23 0.11 0.15 0.41 3.01 -0.72 -1.92 117.46 114.27 3hbl n PHE 948 Ca 0.05 0.03 0.10 0.00 1.01 0.00 0.00 57.45 58.64 3hbl n PHE 948 Cb 0.27 -0.55 0.06 0.00 -0.01 0.00 0.00 39.48 39.24 3hbl n PHE 948 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3hbl h LYS 949 N 0.00 0.00 0.00 -1.08 3.64 -1.02 -3.41 116.57 114.70 3hbl h LYS 949 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hbl h LYS 949 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3hbl h LYS 949 CO 0.00 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 177.68 3hbl n GLY 950 N 1.18 0.80 0.16 5.01 0.00 -0.81 -1.26 105.19 110.27 3hbl n GLY 950 Ca 0.01 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3hbl n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hbl n GLU 951 N -2.35 0.16 -0.02 1.61 1.02 -0.63 -1.20 120.64 119.23 3hbl n GLU 951 Ca 0.00 0.58 0.05 0.00 -0.02 0.00 0.00 57.16 57.77 3hbl n GLU 951 Cb 0.00 -1.95 0.06 0.00 -0.02 0.00 0.00 31.44 29.53 3hbl n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hbl n ILE 952 N -2.28 0.11 0.00 -3.67 -0.00 -1.26 -3.12 119.36 109.13 3hbl n ILE 952 Ca -0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 62.75 62.19 3hbl n ILE 952 Cb 0.10 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 40.88 3hbl n ILE 952 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hbl n GLY 953 N 0.58 -1.04 3.47 7.39 0.00 -0.34 -4.83 105.19 110.42 3hbl n GLY 953 Ca 0.07 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3hbl n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 954 N -0.16 3.56 0.58 1.61 -1.52 -1.26 -4.59 119.66 117.88 3hbl s GLN 954 Ca 0.00 -0.56 -0.15 0.00 -1.95 0.00 0.00 55.36 52.70 3hbl s GLN 954 Cb 0.00 -2.83 -0.05 0.00 -0.22 0.00 0.00 33.01 29.91 3hbl s GLN 954 CO 0.00 0.26 1.03 -1.25 -0.25 0.00 0.00 175.29 175.08 3hbl s PRO 955 N 0.29 3.53 0.12 2.91 0.04 -1.26 -4.81 135.00 135.81 3hbl s PRO 955 Ca -0.05 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 3hbl s PRO 955 Cb -0.14 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3hbl s PRO 955 CO 0.04 -0.63 1.63 0.28 0.04 0.00 0.00 177.00 178.36 3hbl h VAL 956 N 0.46 0.39 0.00 -0.36 2.07 -1.94 -1.39 116.25 115.48 3hbl h VAL 956 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hbl h VAL 956 Cb 1.20 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3hbl h VAL 956 CO 0.59 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.77 3hbl n ASN 957 N -5.39 0.00 0.00 0.57 4.13 -1.26 -5.02 115.26 108.30 3hbl n ASN 957 Ca -0.06 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.52 3hbl n ASN 957 Cb 0.30 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 3hbl n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 958 N 0.96 -0.06 3.37 7.41 0.00 -0.53 -4.84 105.19 111.50 3hbl n GLY 958 Ca 0.20 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 3hbl n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 959 N 0.00 2.08 0.09 1.61 0.40 -1.26 -4.73 117.98 116.17 3hbl s PHE 959 Ca 0.00 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.62 3hbl s PHE 959 Cb 0.00 -1.05 -0.09 0.00 0.51 0.00 0.00 43.02 42.39 3hbl s PHE 959 CO 0.00 0.40 1.64 -0.80 0.70 0.00 0.00 175.22 177.16 3hbl s ASN 960 N -2.52 6.60 0.14 1.36 -0.87 -1.26 -4.89 114.94 113.49 3hbl s ASN 960 Ca 0.17 2.51 -0.29 0.00 -1.57 0.00 0.00 52.86 53.68 3hbl s ASN 960 Cb -0.08 -2.57 -0.05 0.00 -0.02 0.00 0.00 41.25 38.54 3hbl s ASN 960 CO 0.08 -0.88 1.57 0.50 -2.57 0.00 0.00 177.10 175.79 3hbl h LYS 961 N 8.08 -0.38 -0.12 -0.60 3.64 -1.99 0.32 116.57 125.51 3hbl h LYS 961 Ca -0.43 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 3hbl h LYS 961 Cb 1.20 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3hbl h LYS 961 CO 0.93 -0.25 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.10 3hbl h ASP 962 N -0.40 0.24 0.71 4.20 3.45 -2.01 -2.36 116.42 120.26 3hbl h ASP 962 Ca 0.10 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.45 3hbl h ASP 962 Cb 0.61 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3hbl h ASP 962 CO -0.54 0.55 -0.34 0.25 -1.57 0.00 0.00 179.24 177.59 3hbl h LEU 963 N 0.21 -0.81 -0.55 1.55 5.85 -1.59 -3.24 115.31 116.74 3hbl h LEU 963 Ca 0.03 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.85 3hbl h LEU 963 Cb 0.66 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3hbl h LEU 963 CO 0.05 -0.51 0.09 -0.61 -0.34 0.00 0.00 178.44 177.12 3hbl h GLN 964 N -1.06 0.21 -0.27 1.25 4.15 -0.38 -3.24 115.11 115.78 3hbl h GLN 964 Ca -0.10 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.37 3hbl h GLN 964 Cb 0.75 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.32 3hbl h GLN 964 CO 0.16 0.14 -0.39 0.00 -1.93 0.00 0.00 178.83 176.81 3hbl h ALA 965 N 1.45 -0.44 0.00 3.38 0.00 -1.45 -1.61 119.26 120.60 3hbl h ALA 965 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hbl h ALA 965 Cb 0.41 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hbl h ALA 965 CO -0.39 -0.85 0.00 1.33 0.00 0.00 0.00 179.25 179.34 3hbl n VAL 966 N -5.42 0.00 0.44 0.00 0.24 -1.22 -2.12 118.33 110.24 3hbl n VAL 966 Ca -0.02 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.33 3hbl n VAL 966 Cb 0.35 -0.19 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 3hbl n VAL 966 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3hbl n ILE 967 N -0.49 0.00 -1.48 1.34 5.41 -0.60 -4.68 119.36 118.85 3hbl n ILE 967 Ca 0.00 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.31 3hbl n ILE 967 Cb 0.00 1.15 0.00 0.00 -0.71 0.00 0.00 39.64 40.09 3hbl n ILE 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hbl n LEU 968 N 0.06 0.00 -1.77 1.39 -0.00 -0.90 -4.87 117.00 110.92 3hbl n LEU 968 Ca 0.05 -0.13 -0.25 0.00 -0.00 0.00 0.00 56.01 55.67 3hbl n LEU 968 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 3hbl n LEU 968 CO 0.10 0.19 0.43 1.17 -0.00 0.00 0.00 177.39 179.27 3hbl n LYS 969 N 0.00 0.00 0.00 1.47 3.00 -1.09 -4.23 118.16 117.31 3hbl n LYS 969 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3hbl n LYS 969 Cb 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 34.86 3hbl n LYS 969 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hbl n GLY 970 N 1.48 0.15 3.59 3.14 0.00 -1.26 -5.00 105.19 107.29 3hbl n GLY 970 Ca 0.12 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3hbl n GLY 970 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hbl s GLN 971 N 0.00 3.08 0.00 1.61 1.03 -1.26 -4.93 119.66 119.19 3hbl s GLN 971 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 55.36 57.16 3hbl s GLN 971 Cb 0.00 -4.34 0.00 0.00 0.03 0.00 0.00 33.01 28.70 3hbl s GLN 971 CO 0.00 -2.17 0.00 -0.85 -2.54 0.00 0.00 175.29 169.73 3hbl n GLU 972 N 8.71 3.80 -2.64 9.60 -0.00 -1.26 -5.02 120.64 133.83 3hbl n GLU 972 Ca 0.28 0.00 -0.33 0.00 -0.00 0.00 0.00 57.16 57.11 3hbl n GLU 972 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.86 3hbl n GLU 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hbl s ALA 973 N -3.03 2.95 -0.04 -1.84 0.00 -1.26 -4.86 121.76 113.68 3hbl s ALA 973 Ca 0.00 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.50 3hbl s ALA 973 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3hbl s ALA 973 CO 0.00 -0.13 -0.20 -0.51 0.00 0.00 0.00 175.76 174.92 3hbl s LEU 974 N -3.42 2.39 -0.19 0.00 1.43 -0.39 -5.05 118.68 113.45 3hbl s LEU 974 Ca 0.64 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 3hbl s LEU 974 Cb -0.13 -1.45 -0.20 0.00 0.03 0.00 0.00 46.19 44.44 3hbl s LEU 974 CO 0.18 0.32 0.19 1.07 0.23 0.00 0.00 176.35 178.34 3hbl n THR 975 N 2.44 1.61 -1.85 5.49 5.66 -1.26 -4.57 114.28 121.79 3hbl n THR 975 Ca -0.17 -0.26 -0.30 0.00 -3.05 0.00 0.00 64.05 60.27 3hbl n THR 975 Cb 0.52 -1.92 0.04 0.00 -1.55 0.00 0.00 70.33 67.42 3hbl n THR 975 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hbl s ALA 976 N -2.44 2.89 0.03 1.79 0.00 -1.26 -4.92 121.76 117.85 3hbl s ALA 976 Ca -0.28 -0.28 -0.33 0.00 0.00 0.00 0.00 51.96 51.07 3hbl s ALA 976 Cb 0.07 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 20.03 3hbl s ALA 976 CO 0.63 -1.09 1.82 2.89 0.00 0.00 0.00 175.76 180.01 3hbl n ARG 977 N -2.99 2.39 -0.42 0.00 1.85 -1.26 -4.84 116.66 111.39 3hbl n ARG 977 Ca 0.07 0.87 0.34 0.00 -1.00 0.00 0.00 57.85 58.13 3hbl n ARG 977 Cb 0.56 -2.73 0.62 0.00 -1.05 0.00 0.00 32.46 29.87 3hbl n ARG 977 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3hbl h PRO 978 N 8.52 0.13 -0.76 2.89 0.11 -1.92 -2.68 132.00 138.29 3hbl h PRO 978 Ca -0.47 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.76 3hbl h PRO 978 Cb 1.25 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.24 3hbl h PRO 978 CO 0.93 0.09 0.33 0.78 -0.21 0.00 0.00 178.00 179.92 3hbl h GLY 979 N 0.13 1.18 -0.52 -0.55 0.00 -1.88 -2.05 103.07 99.37 3hbl h GLY 979 Ca 0.79 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3hbl h GLY 979 CO -0.42 -0.07 0.00 -1.84 0.00 0.00 0.00 176.54 174.22 3hbl n GLU 980 N -4.96 0.98 0.00 4.80 0.28 -1.01 -2.90 120.64 117.83 3hbl n GLU 980 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 3hbl n GLU 980 Cb 0.40 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3hbl n GLU 980 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 3hbl n TYR 981 N -0.23 0.00 -1.85 -1.84 0.18 -1.11 -5.06 117.16 107.25 3hbl n TYR 981 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 3hbl n TYR 981 Cb 0.13 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 3hbl n TYR 981 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3hbl s LEU 982 N -1.87 3.92 0.27 -3.48 1.43 -0.79 -4.95 118.68 113.20 3hbl s LEU 982 Ca 0.00 1.99 -0.28 0.00 -1.03 0.00 0.00 54.13 54.81 3hbl s LEU 982 Cb 0.00 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 3hbl s LEU 982 CO 0.00 -1.40 0.92 -1.83 0.23 0.00 0.00 176.35 174.28 3hbl s GLU 983 N 5.08 4.71 0.39 1.70 -1.05 -1.26 -4.49 118.70 123.78 3hbl s GLU 983 Ca 0.84 1.38 -0.25 0.00 -0.15 0.00 0.00 54.97 56.80 3hbl s GLU 983 Cb -0.32 -3.08 -0.12 0.00 -0.44 0.00 0.00 34.13 30.17 3hbl s GLU 983 CO 0.34 0.43 0.87 -0.35 0.95 0.00 0.00 175.26 177.50 3hbl n PRO 984 N 1.11 1.09 -2.61 -4.83 -0.04 -1.26 -4.81 135.00 123.65 3hbl n PRO 984 Ca -0.01 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.43 3hbl n PRO 984 Cb 0.48 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3hbl n PRO 984 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hbl s VAL 985 N -1.27 4.30 -0.72 0.52 1.01 -1.26 -4.99 120.40 117.98 3hbl s VAL 985 Ca 0.62 1.83 -0.27 0.00 0.00 0.00 0.00 61.98 64.17 3hbl s VAL 985 Cb -0.61 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 31.62 3hbl s VAL 985 CO 0.58 0.24 1.35 -0.62 0.00 0.00 0.00 175.10 176.65 3hbl s ASP 986 N 0.33 6.05 0.50 3.32 -1.08 -1.26 -4.86 116.67 119.67 3hbl s ASP 986 Ca 0.51 -0.36 0.28 0.00 -0.52 0.00 0.00 52.55 52.46 3hbl s ASP 986 Cb -0.26 -2.56 1.21 0.00 -1.46 0.00 0.00 42.92 39.86 3hbl s ASP 986 CO 0.31 -1.90 1.94 -0.26 0.52 0.00 0.00 175.17 175.78 3hbl h PHE 987 N 10.61 0.00 -0.36 -5.34 -1.00 -2.00 -3.06 116.94 115.79 3hbl h PHE 987 Ca -0.28 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.34 3hbl h PHE 987 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 3hbl h PHE 987 CO 1.12 0.14 -0.41 0.93 -1.61 0.00 0.00 178.31 178.48 3hbl h GLU 988 N 0.00 0.90 0.00 1.51 4.39 -2.00 -1.95 114.58 117.42 3hbl h GLU 988 Ca -0.00 -0.48 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3hbl h GLU 988 Cb 0.57 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3hbl h GLU 988 CO 0.02 1.13 -0.11 0.87 -1.16 0.00 0.00 179.01 179.76 3hbl h LYS 989 N 0.73 0.00 -0.10 2.33 1.57 -1.96 -2.74 116.57 116.40 3hbl h LYS 989 Ca 0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.60 3hbl h LYS 989 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.32 3hbl h LYS 989 CO 0.10 0.11 -0.85 0.28 -0.57 0.00 0.00 179.45 178.52 3hbl h VAL 990 N 0.00 1.29 -0.25 0.50 2.07 -1.46 -2.77 116.25 115.64 3hbl h VAL 990 Ca -0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3hbl h VAL 990 Cb 0.71 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3hbl h VAL 990 CO 0.01 0.65 0.16 -0.09 0.02 0.00 0.00 177.57 178.33 3hbl h ARG 991 N 0.46 0.33 -0.79 1.57 9.65 -1.06 -1.41 114.38 123.14 3hbl h ARG 991 Ca -0.07 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3hbl h ARG 991 Cb 1.48 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.95 3hbl h ARG 991 CO 0.17 0.23 0.49 0.93 2.80 0.00 0.00 179.97 184.58 3hbl h GLU 992 N 0.34 1.06 0.28 0.20 5.08 -1.61 -0.06 114.58 119.88 3hbl h GLU 992 Ca 0.09 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hbl h GLU 992 Cb -0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3hbl h GLU 992 CO -0.02 0.74 -0.22 1.25 -1.00 0.00 0.00 179.01 179.76 3hbl h LEU 993 N 1.08 -0.58 -0.18 1.33 5.85 -1.14 0.59 115.31 122.25 3hbl h LEU 993 Ca 0.28 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 3hbl h LEU 993 Cb -0.06 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3hbl h LEU 993 CO -0.06 -0.34 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.53 3hbl h LEU 994 N -0.51 0.41 -2.13 2.25 3.38 -1.22 -2.41 115.31 115.08 3hbl h LEU 994 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3hbl h LEU 994 Cb 0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hbl h LEU 994 CO -0.01 0.75 -0.04 -0.33 0.09 0.00 0.00 178.44 178.89 3hbl h GLU 995 N 0.07 0.00 0.06 1.13 5.08 -0.97 0.16 114.58 120.11 3hbl h GLU 995 Ca 0.04 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.16 3hbl h GLU 995 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hbl h GLU 995 CO 0.03 0.04 -1.06 0.93 -1.00 0.00 0.00 179.01 177.95 3hbl h GLU 996 N 0.00 0.27 0.01 2.33 4.39 -0.77 -3.32 114.58 117.49 3hbl h GLU 996 Ca -0.00 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 3hbl h GLU 996 Cb 0.09 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3hbl h GLU 996 CO 0.01 1.11 -0.00 0.93 -1.16 0.00 0.00 179.01 179.89 3hbl h GLU 997 N 0.12 -0.01 0.00 2.33 5.08 -0.86 -3.45 114.58 117.79 3hbl h GLU 997 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3hbl h GLU 997 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3hbl h GLU 997 CO 0.17 0.81 0.00 1.04 -1.00 0.00 0.00 179.01 180.03 3hbl n GLN 998 N -4.68 0.33 -2.55 2.33 6.02 0.49 -5.06 117.38 114.26 3hbl n GLN 998 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 3hbl n GLN 998 Cb 0.40 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.69 3hbl n GLN 998 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hbl n GLN 999 N -0.60 2.31 0.00 -1.09 3.00 -1.25 -4.75 117.38 115.01 3hbl n GLN 999 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 57.00 53.23 3hbl n GLN 999 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 30.24 28.45 3hbl n GLN 999 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hbl n GLY 1000N -0.50 1.38 3.58 1.08 0.00 -1.25 -5.07 105.19 104.41 3hbl n GLY 1000Ca 0.21 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 3hbl n GLY 1000CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 1001N 0.00 1.36 -0.23 1.61 0.04 -1.26 -4.86 135.00 131.66 3hbl s PRO 1001Ca 0.00 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.51 3hbl s PRO 1001Cb 0.00 -5.02 0.03 0.00 0.04 0.00 0.00 34.50 29.56 3hbl s PRO 1001CO 0.00 -5.30 -0.12 0.08 0.04 0.00 0.00 177.00 171.71 3hbl s VAL 1002N 16.20 2.45 0.58 -0.36 1.01 -1.26 -5.10 120.40 133.92 3hbl s VAL 1002Ca 0.80 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3hbl s VAL 1002Cb -0.04 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.17 3hbl s VAL 1002CO 0.17 0.25 0.80 0.42 0.00 0.00 0.00 175.10 176.75 3hbl s THR 1003N 1.26 2.47 0.29 3.92 -4.23 -1.26 -5.00 115.64 113.08 3hbl s THR 1003Ca -0.01 -0.77 0.24 0.00 -1.18 0.00 0.00 61.69 59.97 3hbl s THR 1003Cb -0.16 -2.70 0.24 0.00 1.34 0.00 0.00 72.50 71.21 3hbl s THR 1003CO -0.07 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.61 3hbl h GLU 1004N 0.02 0.00 -0.29 3.99 4.39 -2.02 -2.89 114.58 117.79 3hbl h GLU 1004Ca -0.38 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.20 3hbl h GLU 1004Cb 1.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3hbl h GLU 1004CO 0.45 0.21 -0.30 1.96 -1.16 0.00 0.00 179.01 180.17 3hbl h GLN 1005N 0.00 0.72 -0.59 2.33 4.20 -1.99 -3.16 115.11 116.63 3hbl h GLN 1005Ca -0.00 -0.39 0.11 0.00 0.06 0.00 0.00 58.65 58.43 3hbl h GLN 1005Cb 0.57 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 3hbl h GLN 1005CO 0.03 1.00 0.13 -0.44 -0.67 0.00 0.00 178.83 178.88 3hbl h ASP 1006N 0.47 0.02 0.36 1.46 3.32 -1.91 -2.21 116.42 117.93 3hbl h ASP 1006Ca 0.05 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3hbl h ASP 1006Cb 0.88 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3hbl h ASP 1006CO 0.07 0.02 -0.17 0.40 -1.72 0.00 0.00 179.24 177.85 3hbl h ILE 1007N 0.27 0.65 -0.04 0.35 2.04 -1.58 0.15 117.51 119.35 3hbl h ILE 1007Ca 0.31 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.93 3hbl h ILE 1007Cb 0.44 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3hbl h ILE 1007CO -0.38 0.02 -0.68 0.16 0.00 0.00 0.00 178.15 177.27 3hbl h ILE 1008N -0.52 1.43 -0.11 -0.67 -0.00 -1.61 -0.70 117.51 115.32 3hbl h ILE 1008Ca -0.05 -2.18 0.04 0.00 -0.00 0.00 0.00 64.86 62.67 3hbl h ILE 1008Cb 0.40 2.15 -0.05 0.00 -0.00 0.00 0.00 36.82 39.31 3hbl h ILE 1008CO 0.08 0.64 -0.22 0.28 -0.00 0.00 0.00 178.15 178.93 3hbl h SER 1009N 0.13 -0.66 -0.18 2.16 0.02 -1.19 0.45 113.55 114.28 3hbl h SER 1009Ca -0.01 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3hbl h SER 1009Cb 1.21 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 3hbl h SER 1009CO 0.10 -0.27 0.04 0.22 -1.14 0.00 0.00 176.83 175.78 3hbl h TYR 1010N -0.28 0.07 -0.84 3.45 3.20 -0.55 0.63 116.97 122.64 3hbl h TYR 1010Ca 0.09 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3hbl h TYR 1010Cb 0.42 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3hbl h TYR 1010CO -0.31 0.03 0.54 0.28 -1.64 0.00 0.00 178.16 177.06 3hbl h VAL 1011N 0.12 1.14 -0.18 1.81 2.07 -0.77 -0.52 116.25 119.91 3hbl h VAL 1011Ca 0.08 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3hbl h VAL 1011Cb 0.07 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 3hbl h VAL 1011CO -0.10 0.19 -0.33 -0.07 0.02 0.00 0.00 177.57 177.28 3hbl h LEU 1012N 1.06 0.38 -6.21 2.57 3.38 0.21 -3.38 115.31 113.32 3hbl h LEU 1012Ca 0.33 -0.14 -0.55 0.00 0.09 0.00 0.00 57.88 57.62 3hbl h LEU 1012Cb -0.00 -0.10 -0.36 0.00 0.09 0.00 0.00 40.66 40.29 3hbl h LEU 1012CO -0.11 0.69 -0.94 -1.22 0.09 0.00 0.00 178.44 176.95 3hbl n TYR 1013N -4.08 -1.20 -0.00 1.13 4.02 0.18 -4.79 117.16 112.42 3hbl n TYR 1013Ca -0.01 -3.12 -0.00 0.00 -0.01 0.00 0.00 57.90 54.75 3hbl n TYR 1013Cb 0.44 0.36 -0.00 0.00 -0.02 0.00 0.00 39.34 40.12 3hbl n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hbl h PRO 1014N 5.47 -0.00 -0.23 -0.72 0.11 -1.31 -2.15 132.00 133.17 3hbl h PRO 1014Ca 0.24 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 3hbl h PRO 1014Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hbl h PRO 1014CO 0.34 -0.00 -0.63 0.87 -0.21 0.00 0.00 178.00 178.37 3hbl h LYS 1015N -0.00 0.81 -0.59 1.05 1.57 -1.97 -3.12 116.57 114.33 3hbl h LYS 1015Ca 0.00 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 3hbl h LYS 1015Cb 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3hbl h LYS 1015CO -0.00 1.19 0.32 0.28 -0.57 0.00 0.00 179.45 180.67 3hbl h VAL 1016N 0.60 1.19 -0.08 0.50 2.07 -1.95 -1.54 116.25 117.04 3hbl h VAL 1016Ca -0.01 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hbl h VAL 1016Cb 1.24 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3hbl h VAL 1016CO 0.13 0.21 0.04 0.22 0.02 0.00 0.00 177.57 178.19 3hbl h TYR 1017N 0.80 0.12 -0.77 1.57 3.20 -1.44 -2.33 116.97 118.12 3hbl h TYR 1017Ca 0.21 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.21 3hbl h TYR 1017Cb 0.05 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.19 3hbl h TYR 1017CO -0.01 0.18 0.34 0.93 -1.64 0.00 0.00 178.16 177.95 3hbl h GLU 1018N 0.02 0.48 -0.76 1.82 4.39 -1.42 -1.38 114.58 117.75 3hbl h GLU 1018Ca 0.03 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3hbl h GLU 1018Cb 0.10 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3hbl h GLU 1018CO -0.00 0.32 0.29 1.96 -1.16 0.00 0.00 179.01 180.41 3hbl h GLN 1019N 0.50 1.15 -0.86 2.33 4.20 -1.02 -1.05 115.11 120.36 3hbl h GLN 1019Ca 0.42 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.92 3hbl h GLN 1019Cb 0.61 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3hbl h GLN 1019CO -0.38 0.95 0.56 -0.92 -0.67 0.00 0.00 178.83 178.37 3hbl h TYR 1020N 1.11 1.08 -0.44 2.96 3.20 -0.74 -1.44 116.97 122.70 3hbl h TYR 1020Ca 0.25 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3hbl h TYR 1020Cb 0.24 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3hbl h TYR 1020CO 0.02 0.68 0.25 0.82 -1.64 0.00 0.00 178.16 178.30 3hbl h ILE 1021N 1.16 1.15 -0.80 1.81 1.08 -0.83 0.57 117.51 121.64 3hbl h ILE 1021Ca 0.31 -0.36 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 3hbl h ILE 1021Cb -0.13 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.14 3hbl h ILE 1021CO -0.07 0.15 0.43 1.56 -0.69 0.00 0.00 178.15 179.53 3hbl h GLN 1022N 0.57 0.66 -0.05 2.37 7.50 -0.66 -0.51 115.11 125.00 3hbl h GLN 1022Ca 0.15 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.20 3hbl h GLN 1022Cb 0.03 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.41 3hbl h GLN 1022CO -0.03 0.44 -0.23 1.15 -1.50 0.00 0.00 178.83 178.66 3hbl h THR 1023N 0.68 1.46 -0.42 -0.54 2.02 -0.97 -2.94 112.91 112.20 3hbl h THR 1023Ca 0.41 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.90 3hbl h THR 1023Cb 0.46 2.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 3hbl h THR 1023CO -0.29 0.47 0.22 -0.09 0.37 0.00 0.00 175.52 176.20 3hbl h ARG 1024N -0.30 0.57 -1.00 6.66 2.43 -0.68 0.66 114.38 122.72 3hbl h ARG 1024Ca -0.01 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hbl h ARG 1024Cb 0.88 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.26 3hbl h ARG 1024CO 0.05 0.43 0.66 -0.91 -1.51 0.00 0.00 179.97 178.69 3hbl h ASN 1025N 0.58 1.13 0.00 -3.80 -0.26 -1.14 -1.85 115.58 110.24 3hbl h ASN 1025Ca 0.15 -0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.78 3hbl h ASN 1025Cb 0.03 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 3hbl h ASN 1025CO -0.02 0.81 -0.46 -0.61 -1.06 0.00 0.00 177.43 176.09 3hbl h GLN 1026N 1.33 0.01 0.00 0.81 4.15 -0.63 -3.42 115.11 117.36 3hbl h GLN 1026Ca 0.37 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3hbl h GLN 1026Cb -0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3hbl h GLN 1026CO -0.09 1.00 -0.76 0.66 -1.93 0.00 0.00 178.83 177.72 3hbl n TYR 1027N -4.54 0.00 -3.27 3.99 0.53 0.20 -4.80 117.16 109.28 3hbl n TYR 1027Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.70 3hbl n TYR 1027Cb 0.56 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.80 3hbl n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hbl n GLY 1028N 1.48 -1.36 3.56 2.72 0.00 -0.70 -4.08 105.19 106.81 3hbl n GLY 1028Ca 0.01 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3hbl n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hbl s ASN 1029N -4.00 5.87 0.24 1.61 3.04 -1.26 -4.55 114.94 115.89 3hbl s ASN 1029Ca 0.00 0.02 0.13 0.00 0.04 0.00 0.00 52.86 53.05 3hbl s ASN 1029Cb 0.00 -2.55 0.10 0.00 -1.54 0.00 0.00 41.25 37.26 3hbl s ASN 1029CO 0.00 -1.97 1.45 -0.07 -3.04 0.00 0.00 177.10 173.47 3hbl h LEU 1030N 14.10 0.00 0.00 3.21 3.38 -1.83 -3.33 115.31 130.83 3hbl h LEU 1030Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hbl h LEU 1030Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hbl h LEU 1030CO 1.23 0.65 0.04 -1.54 0.09 0.00 0.00 178.44 178.91 3hbl n SER 1031N -3.35 0.00 0.06 -0.43 3.41 -1.26 -0.99 113.62 111.05 3hbl n SER 1031Ca 0.01 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.07 3hbl n SER 1031Cb 0.76 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hbl n SER 1031CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hbl n LEU 1032N -1.33 0.64 -4.77 1.04 4.77 -1.25 -4.03 117.00 112.07 3hbl n LEU 1032Ca 0.00 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 3hbl n LEU 1032Cb 0.04 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3hbl n LEU 1032CO 0.00 -0.08 0.91 -0.76 -1.33 0.00 0.00 177.39 176.13 3hbl s LEU 1033N -4.71 4.14 0.55 2.23 1.43 -0.16 -4.50 118.68 117.66 3hbl s LEU 1033Ca 0.00 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 55.41 3hbl s LEU 1033Cb 0.12 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 3hbl s LEU 1033CO 0.80 -0.87 1.23 1.51 0.23 0.00 0.00 176.35 179.25 3hbl s ASP 1034N -0.97 5.49 0.13 2.29 1.47 -1.26 -4.79 116.67 119.02 3hbl s ASP 1034Ca 0.59 2.44 -0.25 0.00 1.18 0.00 0.00 52.55 56.52 3hbl s ASP 1034Cb -0.35 -2.61 -0.02 0.00 -0.34 0.00 0.00 42.92 39.60 3hbl s ASP 1034CO 0.43 -1.40 1.63 0.74 0.68 0.00 0.00 175.17 177.26 3hbl h THR 1035N 1.28 0.38 -0.73 2.11 2.02 -1.97 0.11 112.91 116.11 3hbl h THR 1035Ca -0.50 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.79 3hbl h THR 1035Cb 1.28 0.38 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 3hbl h THR 1035CO 0.57 0.00 0.35 -0.65 0.37 0.00 0.00 175.52 176.16 3hbl h PRO 1036N -0.35 0.55 -0.35 6.66 0.11 -1.94 0.11 132.00 136.79 3hbl h PRO 1036Ca 0.09 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 3hbl h PRO 1036Cb 0.49 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3hbl h PRO 1036CO -0.30 0.37 -0.04 1.15 -0.21 0.00 0.00 178.00 178.97 3hbl h THR 1037N 0.57 1.22 -0.94 -1.15 2.02 -1.58 -0.59 112.91 112.46 3hbl h THR 1037Ca 0.37 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3hbl h THR 1037Cb 0.45 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3hbl h THR 1037CO -0.30 0.31 0.60 0.15 0.37 0.00 0.00 175.52 176.64 3hbl h PHE 1038N 0.54 1.21 0.00 3.16 3.57 0.17 -0.86 116.94 124.72 3hbl h PHE 1038Ca 0.11 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 3hbl h PHE 1038Cb 0.41 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3hbl h PHE 1038CO 0.02 0.78 -1.56 1.19 -2.23 0.00 0.00 178.31 176.51 3hbl n PHE 1039N -4.40 0.77 0.00 0.41 0.99 -0.41 -4.62 117.46 110.21 3hbl n PHE 1039Ca 0.11 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 3hbl n PHE 1039Cb 0.03 -1.01 0.00 0.00 -1.00 0.00 0.00 39.48 37.50 3hbl n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hbl n PHE 1040N -2.80 0.00 0.00 1.38 3.01 -0.26 -4.32 117.46 114.48 3hbl n PHE 1040Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3hbl n PHE 1040Cb 0.83 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 3hbl n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 1041N 1.35 1.53 3.17 1.37 0.00 -0.33 -4.07 105.19 108.21 3hbl n GLY 1041Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3hbl n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hbl s MET 1042N 0.00 1.00 0.34 1.61 -1.94 -1.26 -4.27 119.30 114.77 3hbl s MET 1042Ca 0.00 -1.47 0.09 0.00 -1.71 0.00 0.00 55.69 52.59 3hbl s MET 1042Cb 0.00 0.26 -0.05 0.00 2.01 0.00 0.00 34.83 37.05 3hbl s MET 1042CO 0.00 -0.30 0.10 -0.98 -0.01 0.00 0.00 175.02 173.83 3hbl s ARG 1043N -4.07 2.28 0.28 2.03 1.70 -1.26 -4.86 118.95 115.05 3hbl s ARG 1043Ca 0.27 -1.60 -0.30 0.00 -0.47 0.00 0.00 55.73 53.64 3hbl s ARG 1043Cb 0.07 -2.10 -0.13 0.00 -0.57 0.00 0.00 34.95 32.22 3hbl s ARG 1043CO 0.04 0.13 1.27 0.09 -1.08 0.00 0.00 175.30 175.75 3hbl n ASN 1044N -1.08 2.37 0.00 -2.89 5.03 -1.26 -2.30 115.26 115.13 3hbl n ASN 1044Ca -0.04 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.59 3hbl n ASN 1044Cb 0.61 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 3hbl n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 1045N 1.46 0.46 3.85 7.41 0.00 0.10 -5.00 105.19 113.47 3hbl n GLY 1045Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3hbl n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbl s GLU 1046N -0.58 4.02 -0.09 1.61 2.12 -0.97 -4.86 118.70 119.94 3hbl s GLU 1046Ca 0.00 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.07 3hbl s GLU 1046Cb 0.00 -2.40 0.01 0.00 0.26 0.00 0.00 34.13 32.01 3hbl s GLU 1046CO 0.00 0.13 -0.14 0.99 -0.54 0.00 0.00 175.26 175.70 3hbl s THR 1047N -2.02 1.35 -0.11 -1.70 2.01 -1.26 -1.54 115.64 112.36 3hbl s THR 1047Ca 0.55 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.01 3hbl s THR 1047Cb -0.10 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.17 3hbl s THR 1047CO 0.17 0.41 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 3hbl s VAL 1048N 0.91 2.18 -0.13 3.82 1.01 -0.07 -4.97 120.40 123.16 3hbl s VAL 1048Ca -0.09 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 3hbl s VAL 1048Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3hbl s VAL 1048CO 0.00 0.55 0.53 -1.61 0.00 0.00 0.00 175.10 174.57 3hbl s GLU 1049N 0.46 4.33 -0.27 2.72 2.02 -1.26 -1.80 118.70 124.89 3hbl s GLU 1049Ca -0.15 0.52 -0.00 0.00 0.02 0.00 0.00 54.97 55.36 3hbl s GLU 1049Cb -0.17 -3.46 0.04 0.00 0.10 0.00 0.00 34.13 30.64 3hbl s GLU 1049CO 0.06 0.08 -0.06 0.42 0.02 0.00 0.00 175.26 175.77 3hbl s ILE 1050N 0.87 2.64 -0.09 -1.63 1.01 -0.09 -4.81 121.20 119.10 3hbl s ILE 1050Ca 0.28 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 3hbl s ILE 1050Cb -0.16 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3hbl s ILE 1050CO 0.11 0.04 1.41 -0.70 0.00 0.00 0.00 174.94 175.80 3hbl s GLU 1051N 1.23 4.23 -0.10 2.79 2.12 -1.26 -1.35 118.70 126.36 3hbl s GLU 1051Ca -0.04 1.89 0.05 0.00 0.36 0.00 0.00 54.97 57.23 3hbl s GLU 1051Cb -0.19 -3.79 -0.10 0.00 0.26 0.00 0.00 34.13 30.31 3hbl s GLU 1051CO -0.04 -0.72 -0.02 -0.89 -0.54 0.00 0.00 175.26 173.05 3hbl n ILE 1052N 5.25 0.64 -3.58 -3.70 5.41 -0.14 -4.93 119.36 118.31 3hbl n ILE 1052Ca 0.15 -0.33 -0.05 0.00 1.00 0.00 0.00 62.75 63.52 3hbl n ILE 1052Cb 0.44 -0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 38.53 3hbl n ILE 1052CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hbl s ASP 1053N -4.53 -0.17 -0.34 4.38 3.68 -0.64 -4.98 116.67 114.07 3hbl s ASP 1053Ca -0.09 -0.02 -0.37 0.00 2.13 0.00 0.00 52.55 54.20 3hbl s ASP 1053Cb 0.03 0.20 -0.13 0.00 -1.45 0.00 0.00 42.92 41.57 3hbl s ASP 1053CO 0.33 -0.32 2.10 1.17 0.13 0.00 0.00 175.17 178.58 3hbl n LYS 1054N -0.15 1.01 -0.19 4.34 4.81 -1.26 0.00 118.16 126.72 3hbl n LYS 1054Ca -0.02 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 3hbl n LYS 1054Cb 0.59 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3hbl n LYS 1054CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hbl n GLY 1055N 6.19 2.00 3.38 3.14 0.00 -1.26 -5.02 105.19 113.63 3hbl n GLY 1055Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 3hbl n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s LYS 1056N -0.22 3.47 -0.04 1.61 1.02 0.10 -5.09 119.74 120.60 3hbl s LYS 1056Ca 0.00 -0.61 -0.26 0.00 0.02 0.00 0.00 55.97 55.12 3hbl s LYS 1056Cb 0.00 -2.89 0.06 0.00 -0.52 0.00 0.00 37.83 34.48 3hbl s LYS 1056CO 0.00 0.04 0.58 -0.98 -0.92 0.00 0.00 175.35 174.06 3hbl s ARG 1057N 0.87 0.96 -0.16 1.68 1.70 -1.26 -0.97 118.95 121.77 3hbl s ARG 1057Ca -0.01 0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 55.22 3hbl s ARG 1057Cb -0.15 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 3hbl s ARG 1057CO 0.01 -0.29 0.32 -0.51 -1.08 0.00 0.00 175.30 173.75 3hbl s LEU 1058N -1.26 4.24 -0.33 -1.89 1.43 -0.45 -4.93 118.68 115.49 3hbl s LEU 1058Ca -0.11 0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 3hbl s LEU 1058Cb -0.01 -2.42 0.04 0.00 0.03 0.00 0.00 46.19 43.82 3hbl s LEU 1058CO 0.08 0.08 0.09 -0.63 0.23 0.00 0.00 176.35 176.19 3hbl s ILE 1059N 0.52 3.65 -0.26 -0.59 -1.09 -1.26 -0.91 121.20 121.27 3hbl s ILE 1059Ca 0.18 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.42 3hbl s ILE 1059Cb -0.13 -3.07 0.03 0.00 -1.58 0.00 0.00 42.46 37.71 3hbl s ILE 1059CO 0.05 -0.16 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.92 3hbl s ILE 1060N 1.38 2.89 -0.15 2.92 1.01 -0.75 -1.44 121.20 127.06 3hbl s ILE 1060Ca -0.02 -1.09 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 3hbl s ILE 1060Cb -0.19 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3hbl s ILE 1060CO 0.02 0.15 0.12 -0.75 0.00 0.00 0.00 174.94 174.48 3hbl s LYS 1061N 1.31 3.71 -0.36 2.79 2.20 0.22 -0.89 119.74 128.72 3hbl s LYS 1061Ca -0.01 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.30 3hbl s LYS 1061Cb -0.17 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3hbl s LYS 1061CO -0.04 0.56 0.18 -1.17 -0.36 0.00 0.00 175.35 174.53 3hbl s LEU 1062N -0.42 4.56 -0.02 5.43 0.20 -0.59 -0.69 118.68 127.15 3hbl s LEU 1062Ca 0.11 -0.94 -0.01 0.00 0.69 0.00 0.00 54.13 53.98 3hbl s LEU 1062Cb -0.12 -2.00 -0.01 0.00 -0.43 0.00 0.00 46.19 43.64 3hbl s LEU 1062CO 0.01 -0.35 0.12 -0.33 -0.29 0.00 0.00 176.35 175.51 3hbl h GLU 1063N 8.39 -0.04 -3.73 1.98 5.08 -0.75 0.28 114.58 125.80 3hbl h GLU 1063Ca -0.26 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3hbl h GLU 1063Cb 1.11 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.28 3hbl h GLU 1063CO 0.65 -0.03 -0.14 0.95 -1.00 0.00 0.00 179.01 179.44 3hbl s THR 1064N -1.43 0.00 -0.14 1.13 -4.23 -1.22 -3.68 115.64 106.06 3hbl s THR 1064Ca -0.01 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3hbl s THR 1064Cb 0.00 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.57 3hbl s THR 1064CO 0.02 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.26 3hbl s ILE 1065N -3.91 2.18 1.09 2.99 1.01 -1.26 -0.45 121.20 122.85 3hbl s ILE 1065Ca 0.24 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 3hbl s ILE 1065Cb -0.00 -1.88 0.25 0.00 0.01 0.00 0.00 42.46 40.84 3hbl s ILE 1065CO 0.10 0.54 1.24 -0.94 0.00 0.00 0.00 174.94 175.88 3hbl s SER 1066N 0.78 1.93 0.60 3.58 1.04 0.11 -4.95 113.70 116.79 3hbl s SER 1066Ca -0.08 0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.59 3hbl s SER 1066Cb -0.16 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 3hbl s SER 1066CO -0.01 -3.48 1.03 -1.61 0.98 0.00 0.00 173.24 170.16 3hbl s GLU 1067N -5.71 3.47 -0.01 4.02 0.41 -1.26 -4.49 118.70 115.12 3hbl s GLU 1067Ca 0.74 0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 55.99 3hbl s GLU 1067Cb -0.06 -2.06 -0.06 0.00 -1.78 0.00 0.00 34.13 30.17 3hbl s GLU 1067CO 0.55 -0.67 1.59 -2.14 -0.49 0.00 0.00 175.26 174.09 3hbl s PRO 1068N -4.49 4.21 0.00 0.39 0.02 -1.26 -4.42 135.00 129.45 3hbl s PRO 1068Ca 0.59 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3hbl s PRO 1068Cb -0.13 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.60 3hbl s PRO 1068CO 0.42 -0.76 0.00 -0.40 -0.33 0.00 0.00 177.00 175.94 3hbl n ASP 1069N 6.35 -0.72 0.19 2.53 5.75 -0.16 -4.73 116.55 125.77 3hbl n ASP 1069Ca 0.16 -0.41 0.13 0.00 -0.01 0.00 0.00 54.79 54.67 3hbl n ASP 1069Cb 0.42 0.00 0.66 0.00 -1.03 0.00 0.00 41.12 41.17 3hbl n ASP 1069CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3hbl h GLU 1070N 0.00 0.00 -0.35 0.11 3.07 -1.94 -1.37 114.58 114.10 3hbl h GLU 1070Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hbl h GLU 1070Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hbl h GLU 1070CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 3hbl n ASN 1071N -2.42 3.01 -0.14 1.42 4.13 -1.26 -4.98 115.26 115.02 3hbl n ASN 1071Ca -0.01 -2.07 -0.02 0.00 1.68 0.00 0.00 54.58 54.16 3hbl n ASN 1071Cb 0.10 -0.26 -0.01 0.00 -1.54 0.00 0.00 39.78 38.08 3hbl n ASN 1071CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 1072N 0.45 0.50 3.78 7.41 0.00 -0.52 -4.90 105.19 111.91 3hbl n GLY 1072Ca 0.12 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3hbl n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 1073N -2.27 7.26 -0.09 1.61 0.01 -1.26 -0.74 114.94 119.45 3hbl s ASN 1073Ca 0.00 1.49 -0.00 0.00 -0.71 0.00 0.00 52.86 53.64 3hbl s ASN 1073Cb 0.00 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 3hbl s ASN 1073CO 0.00 0.18 -0.07 -0.13 -1.51 0.00 0.00 177.10 175.57 3hbl s ARG 1074N -0.86 2.98 -0.33 -0.60 0.52 0.76 -0.99 118.95 120.43 3hbl s ARG 1074Ca 0.34 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.78 3hbl s ARG 1074Cb -0.21 -2.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 3hbl s ARG 1074CO 0.23 0.53 0.66 0.99 0.02 0.00 0.00 175.30 177.74 3hbl s THR 1075N -0.46 4.89 -0.15 0.02 2.01 -1.26 -1.67 115.64 119.01 3hbl s THR 1075Ca 0.07 0.77 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 3hbl s THR 1075Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3hbl s THR 1075CO 0.02 -0.25 0.51 -0.63 -0.69 0.00 0.00 174.62 173.58 3hbl s ILE 1076N 2.73 5.14 -0.40 1.82 1.01 0.08 0.08 121.20 131.66 3hbl s ILE 1076Ca 0.26 0.98 -0.21 0.00 0.00 0.00 0.00 60.65 61.69 3hbl s ILE 1076Cb -0.14 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.50 3hbl s ILE 1076CO 0.14 0.25 0.64 -0.31 0.00 0.00 0.00 174.94 175.65 3hbl s TYR 1077N 1.12 3.10 0.18 3.97 1.51 0.41 -2.26 117.35 125.37 3hbl s TYR 1077Ca 0.26 0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.51 3hbl s TYR 1077Cb -0.15 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 3hbl s TYR 1077CO 0.10 -0.77 -0.06 0.71 -1.11 0.00 0.00 175.55 174.42 3hbl s TYR 1078N 2.77 2.70 -0.19 2.71 4.12 0.40 -0.00 117.35 129.85 3hbl s TYR 1078Ca 0.23 -0.20 0.00 0.00 0.02 0.00 0.00 57.07 57.13 3hbl s TYR 1078Cb -0.14 -1.31 0.05 0.00 -1.52 0.00 0.00 41.96 39.03 3hbl s TYR 1078CO 0.17 0.52 -0.07 0.00 0.02 0.00 0.00 175.55 176.19 3hbl s ALA 1079N -1.74 1.80 -0.18 3.71 0.00 0.13 -0.47 121.76 125.01 3hbl s ALA 1079Ca 0.26 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3hbl s ALA 1079Cb -0.09 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.81 3hbl s ALA 1079CO 0.16 -0.88 -0.15 1.41 0.00 0.00 0.00 175.76 176.31 3hbl s MET 1080N 1.48 2.46 -1.32 0.00 0.00 0.86 -0.61 119.30 122.17 3hbl s MET 1080Ca -0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 55.69 54.85 3hbl s MET 1080Cb -0.16 -2.42 -0.00 0.00 0.00 0.00 0.00 34.83 32.24 3hbl s MET 1080CO -0.08 -0.31 0.61 0.09 0.00 0.00 0.00 175.02 175.33 3hbl n ASN 1081N 4.66 -1.42 -0.55 1.11 4.13 -0.52 -1.68 115.26 121.00 3hbl n ASN 1081Ca -0.17 -0.91 -0.07 0.00 1.68 0.00 0.00 54.58 55.10 3hbl n ASN 1081Cb 0.48 -3.63 -0.03 0.00 -1.54 0.00 0.00 39.78 35.06 3hbl n ASN 1081CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 1082N -1.73 0.89 2.94 7.41 0.00 -1.26 -5.00 105.19 108.44 3hbl n GLY 1082Ca -0.28 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 3hbl n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hbl s GLN 1083N -2.29 1.32 0.14 1.61 2.00 -0.68 -5.13 119.66 116.64 3hbl s GLN 1083Ca 0.00 -0.25 -0.30 0.00 -2.00 0.00 0.00 55.36 52.81 3hbl s GLN 1083Cb 0.00 -1.24 -0.07 0.00 0.80 0.00 0.00 33.01 32.50 3hbl s GLN 1083CO 0.00 -0.09 1.18 0.00 -0.50 0.00 0.00 175.29 175.88 3hbl s ALA 1084N 1.05 3.41 0.05 1.58 0.00 -1.26 -0.10 121.76 126.48 3hbl s ALA 1084Ca -0.08 0.89 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3hbl s ALA 1084Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3hbl s ALA 1084CO -0.00 -0.36 -0.06 0.50 0.00 0.00 0.00 175.76 175.83 3hbl s ARG 1085N 0.22 0.56 -0.04 0.00 6.06 0.37 -4.93 118.95 121.20 3hbl s ARG 1085Ca 0.54 -0.91 0.04 0.00 -2.50 0.00 0.00 55.73 52.90 3hbl s ARG 1085Cb -0.31 -0.13 0.00 0.00 0.06 0.00 0.00 34.95 34.57 3hbl s ARG 1085CO 0.33 -0.00 -0.14 1.03 -2.50 0.00 0.00 175.30 174.02 3hbl s ARG 1086N -2.33 1.46 -0.02 5.12 0.52 -1.26 -0.45 118.95 121.99 3hbl s ARG 1086Ca -0.04 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3hbl s ARG 1086Cb -0.05 -1.29 -0.00 0.00 0.52 0.00 0.00 34.95 34.13 3hbl s ARG 1086CO -0.02 0.18 -0.11 0.42 0.02 0.00 0.00 175.30 175.80 3hbl s ILE 1087N 0.13 0.88 -0.19 1.52 -1.09 -0.96 -4.87 121.20 116.61 3hbl s ILE 1087Ca -0.04 -0.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.90 3hbl s ILE 1087Cb -0.11 -0.76 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 3hbl s ILE 1087CO 0.02 0.26 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.66 3hbl s TYR 1088N -0.02 3.02 -0.06 3.97 1.51 -1.26 -0.74 117.35 123.77 3hbl s TYR 1088Ca 0.00 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 3hbl s TYR 1088Cb -0.07 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 3hbl s TYR 1088CO 0.00 -0.21 -0.18 0.42 -1.11 0.00 0.00 175.55 174.46 3hbl s ILE 1089N 0.87 1.57 -0.05 2.71 -1.09 -0.67 -4.94 121.20 119.60 3hbl s ILE 1089Ca 0.00 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.36 3hbl s ILE 1089Cb -0.14 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 3hbl s ILE 1089CO 0.02 0.45 1.23 -0.75 -1.23 0.00 0.00 174.94 174.65 3hbl s LYS 1090N 0.26 4.34 -0.29 2.79 2.36 -1.26 -0.17 119.74 127.77 3hbl s LYS 1090Ca -0.10 1.71 -0.29 0.00 -2.55 0.00 0.00 55.97 54.74 3hbl s LYS 1090Cb -0.14 -3.56 0.00 0.00 -1.05 0.00 0.00 37.83 33.08 3hbl s LYS 1090CO 0.04 -0.46 1.27 0.34 1.55 0.00 0.00 175.35 178.09 3hbl s ASP 1091N 1.53 6.73 0.00 1.43 3.68 0.08 -4.89 116.67 125.23 3hbl s ASP 1091Ca 0.57 1.24 0.09 0.00 2.13 0.00 0.00 52.55 56.58 3hbl s ASP 1091Cb -0.26 -2.54 0.52 0.00 -1.45 0.00 0.00 42.92 39.20 3hbl s ASP 1091CO 0.22 -1.02 1.02 -0.62 0.13 0.00 0.00 175.17 174.90 3hbl n GLU 1092N 7.19 0.25 -1.94 4.34 1.02 -1.26 -4.96 120.64 125.29 3hbl n GLU 1092Ca 0.14 0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 3hbl n GLU 1092Cb 0.46 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 3hbl n GLU 1092CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hbl s ASN 1093N -2.10 5.54 0.45 1.62 -0.87 -1.26 -5.17 114.94 113.15 3hbl s ASN 1093Ca 0.13 1.12 0.07 0.00 -1.57 0.00 0.00 52.86 52.60 3hbl s ASN 1093Cb 0.06 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.25 39.32 3hbl s ASN 1093CO 0.11 -1.26 0.32 0.42 -2.57 0.00 0.00 177.10 174.12 3hbl s THR 1140N -3.30 2.30 -0.27 1.60 -4.23 -1.26 -5.19 115.64 105.28 3hbl s THR 1140Ca 0.57 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3hbl s THR 1140Cb -0.11 -2.79 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3hbl s THR 1140CO 0.51 0.00 0.50 -0.70 -0.54 0.00 0.00 174.62 174.39 3hbl s GLU 1141N -4.10 0.47 0.00 3.99 2.56 -1.25 -4.38 118.70 115.99 3hbl s GLU 1141Ca 0.42 0.81 0.00 0.00 0.00 0.00 0.00 54.97 56.20 3hbl s GLU 1141Cb -0.01 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.22 3hbl s GLU 1141CO 0.24 -0.61 0.00 0.00 -0.56 0.00 0.00 175.26 174.33 3hbl n ALA 1142N 5.40 0.00 -3.14 6.30 0.00 -0.90 -4.91 120.51 123.26 3hbl n ALA 1142Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 3hbl n ALA 1142Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 3hbl n ALA 1142CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hbl n MET 1143N 0.00 3.93 -1.55 0.00 2.81 -1.26 -4.63 117.12 116.42 3hbl n MET 1143Ca 0.00 -4.58 -0.18 0.00 -1.81 0.00 0.00 57.70 51.13 3hbl n MET 1143Cb 0.00 -2.45 -0.07 0.00 -0.71 0.00 0.00 33.22 29.99 3hbl n MET 1143CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hbl n LYS 1144N 1.29 -1.25 -4.47 0.03 5.02 -1.26 -5.01 118.16 112.51 3hbl n LYS 1144Ca 0.27 1.12 -0.32 0.00 -2.02 0.00 0.00 58.31 57.36 3hbl n LYS 1144Cb 0.35 -5.39 -0.10 0.00 -0.02 0.00 0.00 35.03 29.87 3hbl n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hbl s MET 1145N -3.57 2.56 -0.02 1.97 -1.94 -1.26 -5.13 119.30 111.91 3hbl s MET 1145Ca 0.00 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 3hbl s MET 1145Cb 0.00 -2.50 0.01 0.00 2.01 0.00 0.00 34.83 34.34 3hbl s MET 1145CO 0.00 0.60 -0.04 -2.00 -0.01 0.00 0.00 175.02 173.58 3hbl s GLU 1146N -1.39 0.47 0.00 2.03 2.12 -1.26 -2.12 118.70 118.55 3hbl s GLU 1146Ca 0.17 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.39 3hbl s GLU 1146Cb -0.11 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.78 3hbl s GLU 1146CO 0.07 0.02 0.00 0.25 -0.54 0.00 0.00 175.26 175.06