#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8t s ALA 36 N 0.00 3.41 -0.00 4.31 0.00 -1.26 -4.49 121.76 123.73 3h8t s ALA 36 Ca 0.00 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.94 3h8t s ALA 36 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3h8t s ALA 36 CO 0.00 -0.33 -0.25 0.08 0.00 0.00 0.00 175.76 175.26 3h8t s VAL 37 N 0.04 2.19 -0.16 0.00 1.01 -0.36 -4.85 120.40 118.26 3h8t s VAL 37 Ca 0.53 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3h8t s VAL 37 Cb -0.31 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3h8t s VAL 37 CO 0.35 0.51 0.00 -0.89 0.00 0.00 0.00 175.10 175.07 3h8t s THR 38 N -0.69 4.26 0.06 3.92 2.01 -1.26 -1.29 115.64 122.65 3h8t s THR 38 Ca 0.11 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.89 3h8t s THR 38 Cb -0.10 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3h8t s THR 38 CO 0.00 0.49 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.82 3h8t s LYS 39 N 0.32 0.63 0.03 4.92 1.02 -0.29 -5.00 119.74 121.36 3h8t s LYS 39 Ca -0.01 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 54.96 3h8t s LYS 39 Cb -0.13 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 3h8t s LYS 39 CO 0.02 -0.02 0.05 -0.08 -0.92 0.00 0.00 175.35 174.40 3h8t s THR 40 N -2.70 4.45 -0.02 2.17 -1.32 -1.26 -0.80 115.64 116.17 3h8t s THR 40 Ca 0.01 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 59.89 3h8t s THR 40 Cb -0.01 -3.06 0.01 0.00 -1.51 0.00 0.00 72.50 67.93 3h8t s THR 40 CO -0.04 0.28 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.92 3h8t s VAL 41 N -1.23 0.40 -0.08 5.08 1.01 0.15 -5.00 120.40 120.73 3h8t s VAL 41 Ca 0.24 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3h8t s VAL 41 Cb -0.12 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.88 3h8t s VAL 41 CO 0.15 0.15 -0.19 -0.89 0.00 0.00 0.00 175.10 174.32 3h8t s THR 42 N 0.34 1.67 -0.04 3.92 2.01 -1.26 -0.96 115.64 121.32 3h8t s THR 42 Ca -0.04 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3h8t s THR 42 Cb -0.07 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 70.98 3h8t s THR 42 CO -0.00 0.47 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.69 3h8t s ILE 43 N 0.47 0.74 -0.63 1.82 1.01 0.07 -4.97 121.20 119.71 3h8t s ILE 43 Ca -0.17 -0.28 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 3h8t s ILE 43 Cb -0.17 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.64 3h8t s ILE 43 CO 0.07 0.25 1.14 -0.62 0.00 0.00 0.00 174.94 175.78 3h8t s ASP 44 N 0.59 6.31 -0.40 3.58 -1.08 -1.26 -0.54 116.67 123.87 3h8t s ASP 44 Ca -0.09 -0.27 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 3h8t s ASP 44 Cb -0.13 -2.51 0.54 0.00 -1.46 0.00 0.00 42.92 39.36 3h8t s ASP 44 CO 0.01 -1.52 1.66 0.00 0.52 0.00 0.00 175.17 175.84 3h8t n ALA 45 N 8.40 5.09 0.28 3.66 0.00 -0.04 -4.72 120.51 133.17 3h8t n ALA 45 Ca 0.04 -3.19 0.15 0.00 0.00 0.00 0.00 53.44 50.44 3h8t n ALA 45 Cb 0.48 -1.07 0.46 0.00 0.00 0.00 0.00 19.45 19.33 3h8t n ALA 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h8t h SER 46 N 1.26 0.00 -3.45 0.00 4.64 -1.74 0.89 113.55 115.15 3h8t h SER 46 Ca 0.42 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.22 3h8t h SER 46 Cb 1.89 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.00 3h8t h SER 46 CO 0.82 0.00 0.57 -0.75 -0.87 0.00 0.00 176.83 176.61 3h8t s LYS 47 N -3.44 4.47 0.24 4.77 2.20 -1.26 -4.85 119.74 121.87 3h8t s LYS 47 Ca 0.04 1.90 0.13 0.00 -0.36 0.00 0.00 55.97 57.68 3h8t s LYS 47 Cb 0.08 -3.24 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 3h8t s LYS 47 CO 0.59 -0.13 1.44 1.88 -0.36 0.00 0.00 175.35 178.77 3h8t h TYR 48 N 5.36 0.00 0.00 4.03 -1.99 -1.86 -3.38 116.97 119.13 3h8t h TYR 48 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3h8t h TYR 48 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.94 3h8t h TYR 48 CO 0.62 0.64 -0.02 0.93 -0.00 0.00 0.00 178.16 180.33 3h8t h GLU 49 N 0.00 0.00 -4.85 4.88 3.07 -1.85 -3.37 114.58 112.46 3h8t h GLU 49 Ca -0.01 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 3h8t h GLU 49 Cb 1.43 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.20 3h8t h GLU 49 CO 0.08 0.00 -0.57 0.95 -1.40 0.00 0.00 179.01 178.07 3h8t s THR 50 N -3.17 0.30 0.17 1.13 -4.23 -1.26 -5.04 115.64 103.54 3h8t s THR 50 Ca 0.08 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.70 3h8t s THR 50 Cb 0.08 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 3h8t s THR 50 CO 0.65 0.00 -0.25 0.26 -0.54 0.00 0.00 174.62 174.74 3h8t s TRP 51 N -3.69 2.32 -0.22 3.99 0.52 -1.26 -4.73 118.94 115.86 3h8t s TRP 51 Ca 0.37 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 56.06 3h8t s TRP 51 Cb 0.05 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3h8t s TRP 51 CO 0.17 0.44 0.05 -0.65 0.02 0.00 0.00 176.95 176.97 3h8t s GLN 52 N -2.44 3.69 -0.15 4.98 -1.52 0.15 -4.93 119.66 119.45 3h8t s GLN 52 Ca 0.18 -0.47 -0.07 0.00 -1.95 0.00 0.00 55.36 53.06 3h8t s GLN 52 Cb -0.09 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.43 3h8t s GLN 52 CO 0.09 -0.05 0.08 0.71 -0.25 0.00 0.00 175.29 175.86 3h8t s TYR 53 N 1.22 3.33 0.02 0.91 2.02 -1.26 -0.62 117.35 122.96 3h8t s TYR 53 Ca 0.04 0.22 0.07 0.00 -0.37 0.00 0.00 57.07 57.03 3h8t s TYR 53 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.38 3h8t s TYR 53 CO 0.03 0.35 -0.21 0.12 -1.57 0.00 0.00 175.55 174.26 3h8t s PHE 54 N -0.14 1.85 -0.22 2.71 5.36 0.90 -0.39 117.98 128.06 3h8t s PHE 54 Ca 0.08 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.63 3h8t s PHE 54 Cb -0.12 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.39 3h8t s PHE 54 CO 0.01 0.03 0.01 0.45 -1.46 0.00 0.00 175.22 174.27 3h8t s SER 55 N -0.85 4.78 0.13 6.13 0.15 -0.80 -0.54 113.70 122.69 3h8t s SER 55 Ca 0.08 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.28 3h8t s SER 55 Cb -0.08 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 3h8t s SER 55 CO 0.01 0.01 1.75 -0.26 1.20 0.00 0.00 173.24 175.95 3h8t h PHE 56 N 7.89 0.13 -0.47 3.44 0.05 -1.91 0.08 116.94 126.15 3h8t h PHE 56 Ca -0.38 0.01 -0.13 0.00 3.82 0.00 0.00 57.97 61.29 3h8t h PHE 56 Cb 1.17 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 39.08 3h8t h PHE 56 CO 0.61 0.07 -0.23 0.66 -0.18 0.00 0.00 178.31 179.24 3h8t h SER 57 N 0.17 0.99 0.99 2.17 4.64 -1.97 -3.04 113.55 117.50 3h8t h SER 57 Ca 0.09 -0.38 -0.12 0.00 -0.47 0.00 0.00 61.79 60.90 3h8t h SER 57 Cb 0.05 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3h8t h SER 57 CO -0.09 1.17 -0.58 0.11 -0.87 0.00 0.00 176.83 176.57 3h8t h LYS 58 N 0.83 0.00 -1.70 4.77 1.57 -1.95 -3.47 116.57 116.62 3h8t h LYS 58 Ca 0.11 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 3h8t h LYS 58 Cb 0.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3h8t h LYS 58 CO 0.07 0.58 -0.35 0.41 -0.57 0.00 0.00 179.45 179.60 3h8t n GLY 59 N 0.70 0.24 3.03 3.86 0.00 0.01 -5.01 105.19 108.03 3h8t n GLY 59 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3h8t n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h8t s GLU 60 N -4.32 0.45 0.33 1.61 2.02 -1.21 -5.00 118.70 112.57 3h8t s GLU 60 Ca 0.00 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 53.83 3h8t s GLU 60 Cb 0.00 0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.28 3h8t s GLU 60 CO 0.00 -0.08 1.46 0.08 0.02 0.00 0.00 175.26 176.74 3h8t s VAL 61 N -2.55 2.31 0.19 2.63 1.01 -1.26 -1.91 120.40 120.82 3h8t s VAL 61 Ca -0.06 0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.33 3h8t s VAL 61 Cb -0.02 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3h8t s VAL 61 CO -0.05 0.06 -0.24 0.68 0.00 0.00 0.00 175.10 175.55 3h8t s VAL 62 N -0.70 2.30 -0.13 2.92 -7.23 0.48 -4.90 120.40 113.14 3h8t s VAL 62 Ca 0.55 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 3h8t s VAL 62 Cb -0.44 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 3h8t s VAL 62 CO 0.54 -0.12 0.67 0.21 -0.31 0.00 0.00 175.10 176.09 3h8t s ASN 63 N -2.64 6.84 -0.17 4.85 2.47 -1.26 -4.26 114.94 120.77 3h8t s ASN 63 Ca 0.20 1.02 -0.01 0.00 0.42 0.00 0.00 52.86 54.49 3h8t s ASN 63 Cb -0.08 -2.38 0.05 0.00 -1.45 0.00 0.00 41.25 37.38 3h8t s ASN 63 CO 0.09 -0.20 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.56 3h8t s VAL 64 N 1.39 0.89 -0.58 -5.21 1.01 -1.26 -5.00 120.40 111.65 3h8t s VAL 64 Ca 0.33 -0.56 0.18 0.00 0.00 0.00 0.00 61.98 61.93 3h8t s VAL 64 Cb -0.17 -1.16 -0.22 0.00 0.00 0.00 0.00 36.38 34.83 3h8t s VAL 64 CO 0.14 0.04 0.64 0.35 0.00 0.00 0.00 175.10 176.26 3h8t n THR 65 N 4.94 0.00 -3.22 3.92 -2.24 -1.26 -4.69 114.28 111.73 3h8t n THR 65 Ca -0.10 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 3h8t n THR 65 Cb 0.48 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 3h8t n THR 65 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h8t n ASP 66 N -1.65 0.07 0.16 3.42 2.03 -1.26 -5.01 116.55 114.31 3h8t n ASP 66 Ca 0.01 -2.65 0.04 0.00 0.52 0.00 0.00 54.79 52.72 3h8t n ASP 66 Cb 0.34 -0.62 0.46 0.00 -0.72 0.00 0.00 41.12 40.58 3h8t n ASP 66 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 3h8t h TYR 67 N 4.23 0.17 0.00 -0.67 -0.00 -1.93 -0.98 116.97 117.80 3h8t h TYR 67 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.82 3h8t h TYR 67 Cb 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.56 3h8t h TYR 67 CO 0.35 0.26 0.00 1.63 -0.00 0.00 0.00 178.16 180.40 3h8t n LYS 68 N -4.35 0.50 -2.88 0.10 5.02 -1.26 -3.74 118.16 111.55 3h8t n LYS 68 Ca -0.01 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 3h8t n LYS 68 Cb 0.21 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 3h8t n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3h8t n ASN 69 N -1.17 0.89 -3.37 4.39 3.02 -0.37 -3.78 115.26 114.86 3h8t n ASN 69 Ca 0.14 -2.86 0.02 0.00 -0.03 0.00 0.00 54.58 51.85 3h8t n ASN 69 Cb 0.14 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 3h8t n ASN 69 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h8t s ASP 70 N -2.67 -1.03 -0.06 6.41 3.68 -1.23 -4.94 116.67 116.84 3h8t s ASP 70 Ca 0.32 1.03 0.18 0.00 2.13 0.00 0.00 52.55 56.21 3h8t s ASP 70 Cb 0.41 2.02 0.62 0.00 -1.45 0.00 0.00 42.92 44.51 3h8t s ASP 70 CO -0.02 -0.19 1.52 0.18 0.13 0.00 0.00 175.17 176.79 3h8t n LEU 71 N 5.35 3.99 -0.03 -1.34 4.77 -1.26 -4.28 117.00 124.21 3h8t n LEU 71 Ca -0.07 -2.00 0.14 0.00 -0.03 0.00 0.00 56.01 54.05 3h8t n LEU 71 Cb 0.51 -0.50 0.64 0.00 -2.33 0.00 0.00 43.42 41.73 3h8t n LEU 71 CO -0.03 0.80 0.92 -3.20 -1.33 0.00 0.00 177.39 174.55 3h8t n ASN 72 N 1.19 0.15 -4.44 -1.43 5.15 -1.26 -4.75 115.26 109.87 3h8t n ASN 72 Ca 0.23 -0.04 -0.28 0.00 -0.60 0.00 0.00 54.58 53.89 3h8t n ASN 72 Cb 0.70 -0.26 -0.12 0.00 -0.53 0.00 0.00 39.78 39.58 3h8t n ASN 72 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3h8t s TRP 73 N -2.73 2.36 -0.04 1.20 1.48 -1.26 -4.60 118.94 115.36 3h8t s TRP 73 Ca 0.22 -0.34 0.02 0.00 -1.06 0.00 0.00 56.10 54.95 3h8t s TRP 73 Cb 0.20 -1.20 -0.04 0.00 -1.16 0.00 0.00 33.47 31.27 3h8t s TRP 73 CO 0.51 0.46 -0.01 -0.25 -4.06 0.00 0.00 176.95 173.60 3h8t n ASP 74 N 0.41 3.88 -3.77 -2.66 8.00 0.30 -4.31 116.55 118.40 3h8t n ASP 74 Ca -0.14 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 3h8t n ASP 74 Cb 0.55 0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 41.84 3h8t n ASP 74 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h8t s MET 75 N -2.09 0.31 0.06 -1.24 1.75 -0.96 -3.72 119.30 113.40 3h8t s MET 75 Ca -0.04 0.42 0.06 0.00 -1.25 0.00 0.00 55.69 54.88 3h8t s MET 75 Cb 0.01 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 3h8t s MET 75 CO 0.14 -0.06 -0.17 0.00 -0.65 0.00 0.00 175.02 174.27 3h8t s ALA 76 N 0.34 1.47 0.01 4.11 0.00 0.41 -0.07 121.76 128.03 3h8t s ALA 76 Ca -0.02 -1.00 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3h8t s ALA 76 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3h8t s ALA 76 CO -0.01 0.29 -0.23 -0.51 0.00 0.00 0.00 175.76 175.30 3h8t s LEU 77 N -1.39 2.09 -0.20 0.00 1.43 0.21 -0.67 118.68 120.15 3h8t s LEU 77 Ca 0.04 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3h8t s LEU 77 Cb -0.09 -1.13 0.10 0.00 0.03 0.00 0.00 46.19 45.11 3h8t s LEU 77 CO 0.02 0.24 0.30 -2.28 0.23 0.00 0.00 176.35 174.86 3h8t s HIS 78 N -0.64 -0.54 0.00 0.29 5.65 -0.72 -0.67 115.29 118.66 3h8t s HIS 78 Ca 0.09 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.10 3h8t s HIS 78 Cb -0.09 -0.11 0.00 0.00 -1.18 0.00 0.00 32.58 31.20 3h8t s HIS 78 CO 0.00 -0.58 0.00 0.54 -0.65 0.00 0.00 174.74 174.05 3h8t n ARG 79 N 5.35 0.00 -0.32 2.88 5.12 0.30 -0.13 116.66 129.86 3h8t n ARG 79 Ca -0.05 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.97 3h8t n ARG 79 Cb 0.50 0.00 0.28 0.00 -1.16 0.00 0.00 32.46 32.07 3h8t n ARG 79 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3h8t n TYR 80 N 11.74 0.84 -3.01 -1.55 0.53 -1.26 -4.87 117.16 119.57 3h8t n TYR 80 Ca 0.00 -0.50 -0.34 0.00 -1.02 0.00 0.00 57.90 56.04 3h8t n TYR 80 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 39.34 38.24 3h8t n TYR 80 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3h8t s ASP 81 N -1.00 6.97 -0.03 7.72 1.01 0.82 -4.81 116.67 127.34 3h8t s ASP 81 Ca 0.42 1.48 0.03 0.00 0.71 0.00 0.00 52.55 55.19 3h8t s ASP 81 Cb 0.22 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.70 3h8t s ASP 81 CO 0.28 -0.15 -0.12 -0.69 0.21 0.00 0.00 175.17 174.70 3h8t s VAL 82 N -1.84 1.05 0.04 -1.27 1.01 -1.26 -1.75 120.40 116.38 3h8t s VAL 82 Ca 0.52 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.07 3h8t s VAL 82 Cb -0.13 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3h8t s VAL 82 CO 0.18 0.32 -0.22 -0.60 0.00 0.00 0.00 175.10 174.78 3h8t s ARG 83 N 0.12 1.47 0.28 2.72 3.52 0.15 -0.12 118.95 127.09 3h8t s ARG 83 Ca -0.03 -0.97 0.09 0.00 -0.13 0.00 0.00 55.73 54.69 3h8t s ARG 83 Cb -0.10 -1.59 -0.06 0.00 -1.56 0.00 0.00 34.95 31.65 3h8t s ARG 83 CO 0.01 0.41 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.27 3h8t s LEU 84 N -1.17 2.60 -1.22 -0.88 1.43 -1.26 -0.44 118.68 117.73 3h8t s LEU 84 Ca 0.08 -1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 51.93 3h8t s LEU 84 Cb -0.09 -0.88 0.15 0.00 0.03 0.00 0.00 46.19 45.40 3h8t s LEU 84 CO 0.02 -0.16 1.48 0.21 0.23 0.00 0.00 176.35 178.13 3h8t s ASN 85 N -3.48 7.03 -0.06 2.29 3.84 -1.24 -4.46 114.94 118.86 3h8t s ASN 85 Ca 0.29 -2.90 -0.32 0.00 0.21 0.00 0.00 52.86 50.14 3h8t s ASN 85 Cb -0.00 -2.43 0.14 0.00 -0.55 0.00 0.00 41.25 38.40 3h8t s ASN 85 CO 0.13 -0.82 1.36 0.00 -2.79 0.00 0.00 177.10 174.99 3h8t n GLY 87 N -0.48 3.00 0.00 0.00 0.00 -1.20 -0.90 105.19 105.61 3h8t n GLY 87 Ca -0.09 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3h8t n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h8t n GLU 88 N 14.00 0.13 -0.00 1.61 -0.58 -0.38 -3.16 120.64 132.27 3h8t n GLU 88 Ca 0.00 0.16 0.08 0.00 -0.42 0.00 0.00 57.16 56.97 3h8t n GLU 88 Cb 0.00 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.28 3h8t n GLU 88 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3h8t n SER 89 N -1.39 0.79 0.00 1.62 7.64 -0.08 -4.30 113.62 117.90 3h8t n SER 89 Ca 0.06 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.12 3h8t n SER 89 Cb 0.17 1.05 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 3h8t n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h8t n GLY 90 N 1.39 -0.78 0.97 0.23 0.00 -0.89 -4.20 105.19 101.91 3h8t n GLY 90 Ca 0.03 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.07 3h8t n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h8t n LYS 91 N -0.27 2.38 -0.53 1.61 5.02 -1.25 -3.24 118.16 121.88 3h8t n LYS 91 Ca 0.00 -2.15 -0.09 0.00 -2.02 0.00 0.00 58.31 54.05 3h8t n LYS 91 Cb 0.00 -1.42 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3h8t n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8t n GLY 92 N 1.17 -1.48 1.86 0.72 0.00 -1.10 -4.94 105.19 101.42 3h8t n GLY 92 Ca 0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 3h8t n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h8t n LYS 93 N -1.97 3.81 -1.20 1.61 5.02 -0.15 -4.36 118.16 120.92 3h8t n LYS 93 Ca 0.05 -2.79 -0.29 0.00 -2.02 0.00 0.00 58.31 53.27 3h8t n LYS 93 Cb 0.17 -2.15 0.19 0.00 -0.02 0.00 0.00 35.03 33.22 3h8t n LYS 93 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3h8t s GLY 94 N -0.80 1.57 0.00 0.72 0.00 -0.57 -4.52 107.32 103.72 3h8t s GLY 94 Ca 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3h8t s GLY 94 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.99 3h8t n GLY 95 N -1.21 1.77 3.02 0.20 0.00 -1.13 -4.71 105.19 103.12 3h8t n GLY 95 Ca 0.07 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3h8t n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8t s ALA 96 N -2.00 -0.12 -0.01 4.61 0.00 -0.49 -0.63 121.76 123.12 3h8t s ALA 96 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3h8t s ALA 96 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3h8t s ALA 96 CO 0.00 -0.15 -0.04 0.54 0.00 0.00 0.00 175.76 176.12 3h8t s VAL 97 N -1.05 0.33 -0.04 0.00 0.11 -0.43 -0.79 120.40 118.53 3h8t s VAL 97 Ca -0.11 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.49 3h8t s VAL 97 Cb -0.07 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3h8t s VAL 97 CO 0.00 0.11 1.16 0.12 -3.33 0.00 0.00 175.10 173.16 3h8t s PHE 98 N 0.10 3.30 0.13 1.54 5.36 -1.26 -0.93 117.98 126.22 3h8t s PHE 98 Ca -0.01 1.32 0.34 0.00 -0.96 0.00 0.00 56.93 57.62 3h8t s PHE 98 Cb -0.04 -3.37 1.53 0.00 -0.34 0.00 0.00 43.02 40.81 3h8t s PHE 98 CO -0.00 -1.06 2.02 0.66 -1.46 0.00 0.00 175.22 175.37 3h8t h SER 99 N 7.27 0.00 0.00 6.13 4.64 -1.54 -3.46 113.55 126.58 3h8t h SER 99 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3h8t h SER 99 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3h8t h SER 99 CO 0.86 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 3h8t n GLY 100 N -0.26 1.17 3.66 -0.77 0.00 -1.26 -5.03 105.19 102.70 3h8t n GLY 100 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3h8t n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8t s LYS 101 N -0.57 2.40 0.00 1.61 -0.14 -1.26 -5.03 119.74 116.75 3h8t s LYS 101 Ca 0.00 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 53.51 3h8t s LYS 101 Cb 0.00 -2.35 0.06 0.00 -1.68 0.00 0.00 37.83 33.86 3h8t s LYS 101 CO 0.00 0.45 1.03 0.25 -0.76 0.00 0.00 175.35 176.32 3h8t n THR 102 N -0.16 0.94 -4.46 2.17 -2.24 -1.26 -0.96 114.28 108.31 3h8t n THR 102 Ca -0.10 -0.97 -0.23 0.00 -2.27 0.00 0.00 64.05 60.48 3h8t n THR 102 Cb 0.55 0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 3h8t n THR 102 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h8t s GLU 103 N -0.95 1.45 0.20 -0.78 2.02 -1.26 -4.78 118.70 114.60 3h8t s GLU 103 Ca 0.05 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 3h8t s GLU 103 Cb 0.03 -1.24 0.25 0.00 0.10 0.00 0.00 34.13 33.26 3h8t s GLU 103 CO 0.03 -0.00 1.76 0.52 0.02 0.00 0.00 175.26 177.59 3h8t h MET 104 N 7.03 0.46 0.00 1.61 2.86 -1.93 -1.90 114.93 123.07 3h8t h MET 104 Ca -0.33 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3h8t h MET 104 Cb 1.18 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3h8t h MET 104 CO 0.47 0.30 0.00 -0.40 1.06 0.00 0.00 176.91 178.35 3h8t n ASP 105 N -4.94 0.00 0.11 1.22 5.68 -1.26 -1.81 116.55 115.56 3h8t n ASP 105 Ca 0.08 0.23 0.12 0.00 -0.50 0.00 0.00 54.79 54.72 3h8t n ASP 105 Cb 0.23 -0.40 0.15 0.00 -1.14 0.00 0.00 41.12 39.96 3h8t n ASP 105 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3h8t h GLN 106 N 0.00 0.00 -4.59 0.11 1.08 -1.78 -3.42 115.11 106.52 3h8t h GLN 106 Ca 0.00 0.00 -0.73 0.00 -1.45 0.00 0.00 58.65 56.47 3h8t h GLN 106 Cb 0.31 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.54 3h8t h GLN 106 CO 0.00 0.00 0.77 0.00 -0.95 0.00 0.00 178.83 178.65 3h8t s ALA 107 N -3.23 3.78 -0.13 3.87 0.00 -0.75 -4.79 121.76 120.53 3h8t s ALA 107 Ca 0.05 -3.12 0.11 0.00 0.00 0.00 0.00 51.96 49.01 3h8t s ALA 107 Cb 0.10 -3.92 -0.16 0.00 0.00 0.00 0.00 23.12 19.15 3h8t s ALA 107 CO 0.72 -2.72 0.29 0.25 0.00 0.00 0.00 175.76 174.30 3h8t n THR 108 N 4.73 0.00 -3.41 0.00 -2.24 -1.26 -4.88 114.28 107.21 3h8t n THR 108 Ca 0.25 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3h8t n THR 108 Cb 0.46 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 3h8t n THR 108 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h8t s THR 109 N -2.61 5.18 -0.28 4.28 2.01 -1.26 -5.05 115.64 117.90 3h8t s THR 109 Ca -0.02 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.96 3h8t s THR 109 Cb 0.07 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 3h8t s THR 109 CO 0.46 0.01 0.81 -0.69 -0.69 0.00 0.00 174.62 174.53 3h8t s VAL 110 N 2.01 4.80 0.54 3.82 1.01 -1.26 -5.03 120.40 126.29 3h8t s VAL 110 Ca 0.12 1.34 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 3h8t s VAL 110 Cb -0.16 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3h8t s VAL 110 CO 0.11 -0.19 1.37 -2.84 0.00 0.00 0.00 175.10 173.56 3h8t s PRO 111 N 2.93 3.18 -0.00 2.72 0.02 -1.26 -4.94 135.00 137.65 3h8t s PRO 111 Ca 0.34 2.27 0.19 0.00 0.02 0.00 0.00 61.00 63.81 3h8t s PRO 111 Cb -0.14 -2.29 -0.22 0.00 0.02 0.00 0.00 34.50 31.86 3h8t s PRO 111 CO 0.11 -1.17 0.72 0.25 -0.33 0.00 0.00 177.00 176.57 3h8t n THR 112 N -0.96 0.00 -3.87 0.99 -2.24 -1.26 -5.03 114.28 101.91 3h8t n THR 112 Ca 0.10 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3h8t n THR 112 Cb 0.44 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 3h8t n THR 112 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h8t n ASP 113 N -1.58 -1.50 0.00 3.42 5.68 -1.26 -4.97 116.55 116.35 3h8t n ASP 113 Ca 0.02 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.77 3h8t n ASP 113 Cb 0.33 2.64 0.00 0.00 -1.14 0.00 0.00 41.12 42.95 3h8t n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h8t n GLY 114 N -0.49 0.42 3.56 6.12 0.00 -1.26 -5.01 105.19 108.54 3h8t n GLY 114 Ca -0.03 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3h8t n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8t s TYR 115 N -2.00 2.53 0.27 1.61 1.51 -1.26 -4.64 117.35 115.38 3h8t s TYR 115 Ca 0.00 0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.95 3h8t s TYR 115 Cb 0.00 -4.49 -0.10 0.00 -0.11 0.00 0.00 41.96 37.26 3h8t s TYR 115 CO 0.00 -1.71 1.33 0.99 -1.11 0.00 0.00 175.55 175.05 3h8t s THR 116 N 5.04 2.87 0.19 -0.71 2.01 0.03 -4.35 115.64 120.73 3h8t s THR 116 Ca 0.38 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 63.15 3h8t s THR 116 Cb -0.09 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3h8t s THR 116 CO 0.21 0.16 0.40 0.54 -0.69 0.00 0.00 174.62 175.24 3h8t s VAL 117 N -0.53 5.17 0.44 3.82 0.11 -1.26 -1.40 120.40 126.75 3h8t s VAL 117 Ca 0.53 -0.20 -0.26 0.00 -2.93 0.00 0.00 61.98 59.12 3h8t s VAL 117 Cb -0.39 -3.70 -0.09 0.00 -1.53 0.00 0.00 36.38 30.67 3h8t s VAL 117 CO 0.46 -0.13 1.44 -1.81 -3.33 0.00 0.00 175.10 171.74 3h8t s ASP 118 N -2.95 5.94 0.36 3.54 -0.00 -1.26 -4.83 116.67 117.47 3h8t s ASP 118 Ca 0.40 2.96 0.06 0.00 -0.00 0.00 0.00 52.55 55.96 3h8t s ASP 118 Cb -0.11 -2.66 -0.07 0.00 -0.00 0.00 0.00 42.92 40.08 3h8t s ASP 118 CO 0.28 -1.14 0.03 0.68 -0.00 0.00 0.00 175.17 175.01 3h8t s VAL 119 N -1.18 1.62 0.27 -1.27 -7.23 -0.70 -1.25 120.40 110.66 3h8t s VAL 119 Ca 0.60 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 3h8t s VAL 119 Cb -0.45 -2.87 -0.09 0.00 0.56 0.00 0.00 36.38 33.53 3h8t s VAL 119 CO 0.58 -0.02 0.97 -0.76 -0.31 0.00 0.00 175.10 175.55 3h8t s LEU 120 N -3.59 4.56 0.31 1.32 1.43 -1.26 -1.13 118.68 120.31 3h8t s LEU 120 Ca 0.35 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 3h8t s LEU 120 Cb 0.09 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.62 3h8t s LEU 120 CO 0.17 0.05 0.66 -0.83 0.23 0.00 0.00 176.35 176.63 3h8t s GLY 121 N -1.23 0.30 -0.04 -3.19 0.00 0.07 -4.93 107.32 98.30 3h8t s GLY 121 Ca 0.44 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 3h8t s GLY 121 CO 0.32 -0.34 0.99 -1.60 0.00 0.00 0.00 173.10 172.47 3h8t s ARG 122 N -3.46 4.50 -0.11 2.90 3.52 -1.26 -1.15 118.95 123.90 3h8t s ARG 122 Ca 0.16 1.41 0.03 0.00 -0.13 0.00 0.00 55.73 57.21 3h8t s ARG 122 Cb -0.04 -3.49 -0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3h8t s ARG 122 CO 0.10 -0.16 -0.23 0.42 -0.81 0.00 0.00 175.30 174.62 3h8t s ILE 123 N 1.43 2.16 -0.37 4.11 -1.09 0.18 -4.94 121.20 122.67 3h8t s ILE 123 Ca 0.51 -0.98 -0.28 0.00 -2.23 0.00 0.00 60.65 57.67 3h8t s ILE 123 Cb -0.20 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 3h8t s ILE 123 CO 0.24 0.56 1.02 -0.89 -1.23 0.00 0.00 174.94 174.63 3h8t s THR 124 N 0.39 4.48 -1.07 2.92 2.01 -1.26 -1.14 115.64 121.97 3h8t s THR 124 Ca -0.17 1.38 0.13 0.00 0.31 0.00 0.00 61.69 63.34 3h8t s THR 124 Cb -0.18 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 3h8t s THR 124 CO 0.08 -0.62 0.70 1.33 -0.69 0.00 0.00 174.62 175.42 3h8t n VAL 125 N 6.12 0.00 -3.78 3.82 0.24 0.18 -4.73 118.33 120.18 3h8t n VAL 125 Ca 0.10 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3h8t n VAL 125 Cb 0.48 1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 33.86 3h8t n VAL 125 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h8t s LYS 126 N -1.83 0.39 -0.10 7.34 2.47 -1.10 -3.58 119.74 123.32 3h8t s LYS 126 Ca 0.09 0.30 -0.05 0.00 -1.56 0.00 0.00 55.97 54.75 3h8t s LYS 126 Cb 0.11 0.18 0.05 0.00 -1.46 0.00 0.00 37.83 36.71 3h8t s LYS 126 CO 0.40 -0.06 0.24 -0.47 0.16 0.00 0.00 175.35 175.62 3h8t s TYR 127 N -0.09 -0.33 -0.18 4.03 5.04 -1.26 -1.51 117.35 123.04 3h8t s TYR 127 Ca -0.02 0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 55.30 3h8t s TYR 127 Cb -0.03 0.04 0.07 0.00 0.35 0.00 0.00 41.96 42.39 3h8t s TYR 127 CO 0.01 -0.24 0.43 -2.00 -1.34 0.00 0.00 175.55 172.41 3h8t s GLU 128 N 1.29 0.39 0.28 4.97 2.12 -0.15 -4.98 118.70 122.63 3h8t s GLU 128 Ca -0.09 0.88 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 3h8t s GLU 128 Cb -0.10 0.08 -0.09 0.00 0.26 0.00 0.00 34.13 34.28 3h8t s GLU 128 CO -0.08 -0.18 1.03 -1.64 -0.54 0.00 0.00 175.26 173.84 3h8t s MET 129 N 1.75 4.65 0.00 4.30 -1.94 -1.26 -0.72 119.30 126.09 3h8t s MET 129 Ca -0.07 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 55.55 3h8t s MET 129 Cb -0.09 -3.12 0.00 0.00 2.01 0.00 0.00 34.83 33.63 3h8t s MET 129 CO -0.13 0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.56 3h8t n GLY 130 N 1.15 3.31 0.23 -0.03 0.00 -0.64 -4.95 105.19 104.25 3h8t n GLY 130 Ca -0.01 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.40 3h8t n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h8t h PRO 131 N 0.00 0.00 -0.39 1.61 0.13 -2.04 -2.36 132.00 128.95 3h8t h PRO 131 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3h8t h PRO 131 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 3h8t h PRO 131 CO 0.00 0.00 0.04 -0.25 -0.23 0.00 0.00 178.00 177.56 3h8t n ASP 132 N -2.76 3.55 0.00 1.44 8.00 -1.26 -5.09 116.55 120.43 3h8t n ASP 132 Ca 0.01 -3.33 0.00 0.00 0.71 0.00 0.00 54.79 52.18 3h8t n ASP 132 Cb 0.24 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3h8t n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h8t n GLY 133 N -0.70 -1.78 3.63 0.44 0.00 -0.89 -4.80 105.19 101.09 3h8t n GLY 133 Ca 0.30 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3h8t n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h8t s HIS 134 N 0.00 3.00 -0.13 1.61 -3.43 -1.26 -1.63 115.29 113.46 3h8t s HIS 134 Ca 0.00 1.05 -0.16 0.00 -0.80 0.00 0.00 55.06 55.15 3h8t s HIS 134 Cb 0.00 -3.86 -0.04 0.00 -1.43 0.00 0.00 32.58 27.24 3h8t s HIS 134 CO 0.00 -1.03 0.41 -0.65 -2.00 0.00 0.00 174.74 171.47 3h8t s GLN 135 N 3.89 4.29 0.15 -0.38 -1.52 0.10 -4.90 119.66 121.30 3h8t s GLN 135 Ca 0.48 0.32 0.08 0.00 -1.95 0.00 0.00 55.36 54.29 3h8t s GLN 135 Cb -0.12 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 3h8t s GLN 135 CO 0.20 0.21 -0.17 -1.64 -0.25 0.00 0.00 175.29 173.64 3h8t s MET 136 N 0.49 1.18 0.14 2.91 -1.94 -1.26 -0.97 119.30 119.85 3h8t s MET 136 Ca 0.23 -1.35 0.10 0.00 -1.71 0.00 0.00 55.69 52.95 3h8t s MET 136 Cb -0.14 -1.17 -0.04 0.00 2.01 0.00 0.00 34.83 35.49 3h8t s MET 136 CO 0.08 0.23 -0.23 -1.21 -0.01 0.00 0.00 175.02 173.89 3h8t s GLU 137 N -2.77 1.30 0.09 2.03 2.02 -0.57 -4.97 118.70 115.83 3h8t s GLU 137 Ca 0.13 -1.33 0.03 0.00 0.02 0.00 0.00 54.97 53.83 3h8t s GLU 137 Cb -0.05 -1.61 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 3h8t s GLU 137 CO 0.05 0.36 -0.10 0.71 0.02 0.00 0.00 175.26 176.31 3h8t s TYR 138 N -1.38 1.00 0.05 1.61 2.02 -1.26 -0.65 117.35 118.74 3h8t s TYR 138 Ca 0.13 -0.66 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 3h8t s TYR 138 Cb -0.09 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 3h8t s TYR 138 CO 0.06 -0.03 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.71 3h8t s GLU 139 N -2.74 0.60 -0.17 -0.62 2.02 -0.29 -4.87 118.70 112.63 3h8t s GLU 139 Ca 0.04 -0.82 -0.27 0.00 0.02 0.00 0.00 54.97 53.95 3h8t s GLU 139 Cb -0.03 -0.43 -0.01 0.00 0.10 0.00 0.00 34.13 33.77 3h8t s GLU 139 CO -0.00 0.08 0.90 -1.21 0.02 0.00 0.00 175.26 175.05 3h8t s GLU 140 N -1.65 4.31 0.19 1.61 0.41 -1.26 -0.65 118.70 121.66 3h8t s GLU 140 Ca -0.08 1.14 -0.04 0.00 -0.41 0.00 0.00 54.97 55.59 3h8t s GLU 140 Cb -0.10 -3.58 -0.03 0.00 -1.78 0.00 0.00 34.13 28.64 3h8t s GLU 140 CO 0.01 -0.39 0.19 -0.65 -0.49 0.00 0.00 175.26 173.93 3h8t s GLN 141 N 2.34 1.20 0.38 1.61 -0.21 -0.30 -4.90 119.66 119.78 3h8t s GLN 141 Ca 0.41 -1.49 -0.25 0.00 0.02 0.00 0.00 55.36 54.05 3h8t s GLN 141 Cb -0.17 0.31 -0.09 0.00 1.00 0.00 0.00 33.01 34.06 3h8t s GLN 141 CO 0.12 -0.41 1.06 0.20 -2.12 0.00 0.00 175.29 174.14 3h8t s GLY 142 N -3.10 2.79 0.23 3.09 0.00 -1.26 -0.75 107.32 108.31 3h8t s GLY 142 Ca 0.32 0.73 -0.19 0.00 0.00 0.00 0.00 44.72 45.57 3h8t s GLY 142 CO 0.09 1.18 0.61 -0.11 0.00 0.00 0.00 173.10 174.87 3h8t s PHE 143 N -1.58 -0.18 -0.50 1.90 -0.00 -0.29 -4.82 117.98 112.51 3h8t s PHE 143 Ca 0.56 -0.18 -0.22 0.00 -0.00 0.00 0.00 56.93 57.09 3h8t s PHE 143 Cb -0.23 0.53 0.04 0.00 -0.00 0.00 0.00 43.02 43.35 3h8t s PHE 143 CO 0.30 -1.03 0.76 0.45 -0.00 0.00 0.00 175.22 175.70 3h8t s SER 144 N -2.88 6.31 0.32 1.98 0.15 0.83 -1.71 113.70 118.69 3h8t s SER 144 Ca 0.09 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.31 3h8t s SER 144 Cb -0.03 -2.36 0.55 0.00 -1.71 0.00 0.00 66.02 62.47 3h8t s SER 144 CO 0.00 -1.00 1.77 -0.08 1.20 0.00 0.00 173.24 175.14 3h8t h GLU 145 N 9.09 0.30 -0.27 5.44 4.81 -1.85 0.42 114.58 132.52 3h8t h GLU 145 Ca -0.26 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 58.87 3h8t h GLU 145 Cb 1.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3h8t h GLU 145 CO 1.00 0.56 0.16 0.28 -0.73 0.00 0.00 179.01 180.27 3h8t h VAL 146 N 0.27 1.03 0.16 0.32 2.07 -1.91 0.74 116.25 118.93 3h8t h VAL 146 Ca 0.04 -0.11 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 3h8t h VAL 146 Cb 0.64 0.68 0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3h8t h VAL 146 CO 0.05 0.06 -1.19 0.40 0.02 0.00 0.00 177.57 176.90 3h8t h ILE 147 N 0.33 1.29 -0.13 4.57 2.04 -1.89 -3.37 117.51 120.35 3h8t h ILE 147 Ca 0.11 -2.54 -0.16 0.00 1.00 0.00 0.00 64.86 63.27 3h8t h ILE 147 Cb -0.00 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3h8t h ILE 147 CO -0.05 0.75 -0.60 0.74 0.00 0.00 0.00 178.15 178.99 3h8t h THR 148 N -0.20 1.35 0.00 -0.27 2.02 -0.96 0.22 112.91 115.07 3h8t h THR 148 Ca -0.23 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3h8t h THR 148 Cb 1.83 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3h8t h THR 148 CO 0.16 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.24 3h8t n GLY 149 N 0.31 0.82 3.80 2.16 0.00 0.25 -4.29 105.19 108.24 3h8t n GLY 149 Ca -0.03 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 3h8t n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8t s LYS 150 N -2.04 3.95 0.02 1.61 1.02 -0.57 -4.65 119.74 119.09 3h8t s LYS 150 Ca 0.00 0.13 -0.21 0.00 0.02 0.00 0.00 55.97 55.91 3h8t s LYS 150 Cb 0.00 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.95 3h8t s LYS 150 CO 0.00 0.51 0.61 0.15 -0.92 0.00 0.00 175.35 175.69 3h8t s LYS 151 N -0.35 4.31 0.00 1.68 1.02 -1.26 -2.44 119.74 122.70 3h8t s LYS 151 Ca 0.18 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.94 3h8t s LYS 151 Cb -0.14 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3h8t s LYS 151 CO 0.07 0.43 0.00 0.27 -0.92 0.00 0.00 175.35 175.19 3h8t n ASN 152 N 2.48 0.00 -0.10 2.83 0.23 -0.38 -4.87 115.26 115.45 3h8t n ASN 152 Ca -0.07 -0.74 0.04 0.00 -0.53 0.00 0.00 54.58 53.28 3h8t n ASN 152 Cb 0.51 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.58 3h8t n ASN 152 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h8t h ALA 153 N -0.89 1.67 -0.17 -2.53 0.00 -1.98 -1.42 119.26 113.93 3h8t h ALA 153 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h8t h ALA 153 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3h8t h ALA 153 CO 0.00 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.57 3h8t n GLN 154 N -4.46 2.05 -0.02 0.00 3.00 -1.26 -4.95 117.38 111.74 3h8t n GLN 154 Ca 0.06 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 3h8t n GLN 154 Cb 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3h8t n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h8t n GLY 155 N 1.29 0.82 3.69 1.08 0.00 -0.53 -5.07 105.19 106.46 3h8t n GLY 155 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3h8t n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h8t s PHE 156 N -2.02 3.49 -0.03 1.61 0.08 -1.26 -4.69 117.98 115.17 3h8t s PHE 156 Ca 0.00 1.20 -0.11 0.00 0.12 0.00 0.00 56.93 58.14 3h8t s PHE 156 Cb 0.00 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.52 3h8t s PHE 156 CO 0.00 -0.07 0.31 0.00 -0.10 0.00 0.00 175.22 175.36 3h8t s ALA 157 N 1.44 3.78 0.14 5.36 0.00 -1.26 -1.24 121.76 129.98 3h8t s ALA 157 Ca 0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 3h8t s ALA 157 Cb -0.17 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.75 3h8t s ALA 157 CO 0.15 0.55 0.34 -1.54 0.00 0.00 0.00 175.76 175.26 3h8t s SER 158 N -1.21 -0.07 0.00 0.00 1.04 -1.02 -2.39 113.70 110.06 3h8t s SER 158 Ca 0.22 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3h8t s SER 158 Cb -0.15 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3h8t s SER 158 CO 0.11 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3h8t n GLY 159 N -0.21 0.38 0.00 7.32 0.00 -1.26 -1.51 105.19 109.91 3h8t n GLY 159 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3h8t n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8t n GLY 160 N -2.00 1.86 0.21 -0.02 0.00 -1.26 -4.74 105.19 99.23 3h8t n GLY 160 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.69 3h8t n GLY 160 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3h8t h TRP 161 N 0.00 0.00 -3.18 1.61 5.08 -1.15 -3.43 115.95 114.88 3h8t h TRP 161 Ca 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.66 3h8t h TRP 161 Cb 0.00 0.00 -0.36 0.00 -3.00 0.00 0.00 29.16 25.80 3h8t h TRP 161 CO 0.00 0.00 -0.67 -1.17 -1.28 0.00 0.00 178.44 175.32 3h8t s LEU 162 N -6.10 0.10 -0.45 0.11 2.96 -1.26 -1.79 118.68 112.26 3h8t s LEU 162 Ca 0.06 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.99 3h8t s LEU 162 Cb 0.06 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.93 3h8t s LEU 162 CO 0.68 -0.23 0.79 -1.61 -1.32 0.00 0.00 176.35 174.66 3h8t s GLU 163 N 2.10 3.42 -0.14 1.98 0.41 0.08 -4.47 118.70 122.08 3h8t s GLU 163 Ca 0.02 -0.09 -0.02 0.00 -0.41 0.00 0.00 54.97 54.47 3h8t s GLU 163 Cb -0.12 -3.94 -0.02 0.00 -1.78 0.00 0.00 34.13 28.27 3h8t s GLU 163 CO -0.05 -1.12 -0.08 0.12 -0.49 0.00 0.00 175.26 173.64 3h8t s PHE 164 N 3.31 2.93 0.00 1.61 5.36 -1.00 -1.14 117.98 129.04 3h8t s PHE 164 Ca 0.30 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3h8t s PHE 164 Cb -0.12 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 3h8t s PHE 164 CO 0.23 -0.10 0.00 0.45 -1.46 0.00 0.00 175.22 174.34 3h8t n SER 165 N 3.48 0.00 -4.10 6.13 2.88 -0.82 -4.20 113.62 116.99 3h8t n SER 165 Ca -0.18 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 56.83 3h8t n SER 165 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 3h8t n SER 165 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3h8t s HIS 166 N -2.29 0.79 0.00 0.66 3.76 -1.26 -1.48 115.29 115.47 3h8t s HIS 166 Ca 0.00 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 3h8t s HIS 166 Cb 0.00 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3h8t s HIS 166 CO 0.00 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 3h8t n GLY 167 N 1.10 -0.13 0.28 -2.22 0.00 0.42 -4.85 105.19 99.80 3h8t n GLY 167 Ca -0.20 -1.73 0.19 0.00 0.00 0.00 0.00 46.02 44.27 3h8t n GLY 167 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h8t h PRO 168 N 0.00 0.00 -0.09 1.61 0.11 -2.01 -3.32 132.00 128.30 3h8t h PRO 168 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.94 3h8t h PRO 168 Cb 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 30.85 3h8t h PRO 168 CO 0.00 0.00 -0.67 0.00 -0.21 0.00 0.00 178.00 177.12 3h8t n ALA 169 N -2.02 2.95 0.00 -0.75 0.00 -1.26 -5.14 120.51 114.28 3h8t n ALA 169 Ca -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.79 3h8t n ALA 169 Cb 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3h8t n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8t n GLY 170 N -0.31 -0.44 3.78 0.00 0.00 -1.25 -5.15 105.19 101.82 3h8t n GLY 170 Ca -0.09 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 3h8t n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h8t s PRO 171 N -1.89 4.57 0.16 1.61 0.04 -1.26 -0.43 135.00 137.79 3h8t s PRO 171 Ca 0.00 1.38 0.09 0.00 0.04 0.00 0.00 61.00 62.51 3h8t s PRO 171 Cb 0.00 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3h8t s PRO 171 CO 0.00 0.25 -0.19 0.95 0.04 0.00 0.00 177.00 178.05 3h8t s THR 172 N -1.56 1.84 -0.01 1.26 -4.23 -0.55 -4.74 115.64 107.65 3h8t s THR 172 Ca 0.50 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3h8t s THR 172 Cb -0.20 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.83 3h8t s THR 172 CO 0.26 -0.27 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.76 3h8t s TYR 173 N -1.90 0.13 -0.09 3.99 2.02 -1.26 -1.94 117.35 118.30 3h8t s TYR 173 Ca 0.15 0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 56.83 3h8t s TYR 173 Cb -0.06 -0.16 0.04 0.00 -0.40 0.00 0.00 41.96 41.37 3h8t s TYR 173 CO 0.06 -0.04 0.07 0.21 -1.57 0.00 0.00 175.55 174.29 3h8t s LYS 174 N 0.37 -0.03 0.11 -0.62 2.47 -0.29 -5.00 119.74 116.75 3h8t s LYS 174 Ca -0.03 0.22 -0.31 0.00 -1.56 0.00 0.00 55.97 54.29 3h8t s LYS 174 Cb -0.05 -0.98 -0.08 0.00 -1.46 0.00 0.00 37.83 35.26 3h8t s LYS 174 CO -0.01 -0.45 1.44 -0.51 0.16 0.00 0.00 175.35 175.98 3h8t s LEU 175 N 2.16 4.36 0.34 5.43 1.43 -1.26 -0.74 118.68 130.40 3h8t s LEU 175 Ca 0.04 2.37 0.19 0.00 -1.03 0.00 0.00 54.13 55.69 3h8t s LEU 175 Cb -0.13 -3.58 0.17 0.00 0.03 0.00 0.00 46.19 42.68 3h8t s LEU 175 CO -0.05 -0.71 1.48 0.77 0.23 0.00 0.00 176.35 178.07 3h8t h SER 176 N 7.01 0.00 -0.23 2.29 4.64 -1.61 -3.47 113.55 122.18 3h8t h SER 176 Ca -0.42 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.80 3h8t h SER 176 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 3h8t h SER 176 CO 0.88 0.27 -0.09 0.29 -0.87 0.00 0.00 176.83 177.32 3h8t n LYS 177 N -3.14 -1.63 -1.71 4.77 4.76 -1.26 -4.94 118.16 115.01 3h8t n LYS 177 Ca 0.02 0.62 -0.43 0.00 -2.87 0.00 0.00 58.31 55.66 3h8t n LYS 177 Cb 0.64 -4.93 -0.02 0.00 -1.84 0.00 0.00 35.03 28.89 3h8t n LYS 177 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3h8t n ARG 178 N -0.26 2.35 -3.79 1.97 1.74 -1.26 -4.30 116.66 113.09 3h8t n ARG 178 Ca -0.05 0.83 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 3h8t n ARG 178 Cb 0.48 -2.54 -0.10 0.00 -1.02 0.00 0.00 32.46 29.29 3h8t n ARG 178 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h8t s VAL 179 N -0.19 5.07 0.10 1.55 1.01 -0.14 -4.41 120.40 123.40 3h8t s VAL 179 Ca 0.64 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3h8t s VAL 179 Cb -0.57 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3h8t s VAL 179 CO 0.51 0.39 -0.09 -0.36 0.00 0.00 0.00 175.10 175.55 3h8t s PHE 180 N 0.80 2.75 -0.19 5.22 0.08 0.31 -1.29 117.98 125.66 3h8t s PHE 180 Ca 0.06 -0.15 -0.10 0.00 0.12 0.00 0.00 56.93 56.86 3h8t s PHE 180 Cb -0.13 -1.44 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 3h8t s PHE 180 CO 0.02 0.43 0.15 -0.06 -0.10 0.00 0.00 175.22 175.66 3h8t s PHE 181 N -1.22 3.43 -0.18 0.36 0.40 -0.10 -0.37 117.98 120.30 3h8t s PHE 181 Ca 0.22 0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.91 3h8t s PHE 181 Cb -0.11 -2.17 0.05 0.00 0.51 0.00 0.00 43.02 41.30 3h8t s PHE 181 CO 0.14 0.31 -0.02 0.08 0.70 0.00 0.00 175.22 176.43 3h8t s VAL 182 N 0.29 0.95 0.02 -0.44 1.01 0.90 -1.32 120.40 121.81 3h8t s VAL 182 Ca 0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3h8t s VAL 182 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3h8t s VAL 182 CO -0.01 -0.00 1.14 -0.13 0.00 0.00 0.00 175.10 176.10 3h8t s ARG 183 N 1.69 4.45 0.78 2.72 0.52 0.20 -0.59 118.95 128.72 3h8t s ARG 183 Ca -0.01 1.66 -0.13 0.00 -0.52 0.00 0.00 55.73 56.73 3h8t s ARG 183 Cb -0.16 -3.42 0.18 0.00 0.52 0.00 0.00 34.95 32.07 3h8t s ARG 183 CO -0.07 -0.25 1.04 0.41 0.02 0.00 0.00 175.30 176.45 3h8t n GLY 184 N 3.17 -1.50 0.25 -3.53 0.00 0.92 -2.85 105.19 101.64 3h8t n GLY 184 Ca 0.09 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.51 3h8t n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8t h ALA 185 N -1.88 1.63 -0.48 4.61 0.00 -1.84 -1.81 119.26 119.49 3h8t h ALA 185 Ca -0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3h8t h ALA 185 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3h8t h ALA 185 CO 0.24 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.22 3h8t n ASP 186 N -4.13 3.43 0.00 0.00 3.85 -1.26 -0.98 116.55 117.47 3h8t n ASP 186 Ca -0.03 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 3h8t n ASP 186 Cb 0.19 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 3h8t n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h8t n GLY 187 N 1.52 2.02 3.77 6.12 0.00 -0.69 -4.98 105.19 112.95 3h8t n GLY 187 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3h8t n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8t s ASN 188 N -2.55 6.20 -0.11 1.61 0.01 -1.26 -4.59 114.94 114.24 3h8t s ASN 188 Ca 0.00 2.72 -0.04 0.00 -0.71 0.00 0.00 52.86 54.84 3h8t s ASN 188 Cb 0.00 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 3h8t s ASN 188 CO 0.00 -0.94 0.03 -0.63 -1.51 0.00 0.00 177.10 174.05 3h8t s ILE 189 N -1.25 4.50 0.03 0.60 1.01 -1.26 -0.06 121.20 124.78 3h8t s ILE 189 Ca 0.58 -0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.11 3h8t s ILE 189 Cb -0.39 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3h8t s ILE 189 CO 0.51 0.57 -0.06 0.00 0.00 0.00 0.00 174.94 175.96 3h8t s ALA 190 N -0.57 3.06 -0.21 9.38 0.00 0.24 -0.42 121.76 133.25 3h8t s ALA 190 Ca 0.10 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 50.84 3h8t s ALA 190 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3h8t s ALA 190 CO 0.02 0.63 0.38 0.21 0.00 0.00 0.00 175.76 177.00 3h8t s LYS 191 N -1.68 4.16 -0.04 0.00 2.20 -0.18 -0.07 119.74 124.13 3h8t s LYS 191 Ca 0.19 0.16 0.03 0.00 -0.36 0.00 0.00 55.97 55.99 3h8t s LYS 191 Cb -0.11 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 3h8t s LYS 191 CO 0.10 -0.04 -0.13 0.08 -0.36 0.00 0.00 175.35 175.00 3h8t s VAL 192 N 1.32 1.12 -0.04 4.02 1.01 0.50 -0.74 120.40 127.59 3h8t s VAL 192 Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3h8t s VAL 192 Cb -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.28 3h8t s VAL 192 CO 0.08 0.34 -0.01 -1.58 0.00 0.00 0.00 175.10 173.92 3h8t s GLN 193 N 0.22 0.53 -0.15 2.72 0.74 -0.60 -0.53 119.66 122.60 3h8t s GLN 193 Ca -0.06 0.04 -0.22 0.00 0.05 0.00 0.00 55.36 55.17 3h8t s GLN 193 Cb -0.11 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 3h8t s GLN 193 CO 0.02 -0.16 0.69 -0.06 -0.55 0.00 0.00 175.29 175.22 3h8t s PHE 194 N 1.25 3.45 -0.41 1.67 0.40 -1.26 -0.69 117.98 122.39 3h8t s PHE 194 Ca -0.06 1.10 0.10 0.00 -0.60 0.00 0.00 56.93 57.46 3h8t s PHE 194 Cb -0.13 -2.84 -0.11 0.00 0.51 0.00 0.00 43.02 40.45 3h8t s PHE 194 CO -0.02 -0.09 0.39 0.25 0.70 0.00 0.00 175.22 176.45 3h8t n THR 195 N 4.38 0.00 -3.48 0.64 -2.24 0.58 -4.56 114.28 109.60 3h8t n THR 195 Ca -0.00 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 3h8t n THR 195 Cb 0.50 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.61 3h8t n THR 195 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h8t s ASP 196 N -2.05 -0.60 0.00 3.42 3.68 -1.04 -4.97 116.67 115.12 3h8t s ASP 196 Ca 0.03 0.34 0.01 0.00 2.13 0.00 0.00 52.55 55.06 3h8t s ASP 196 Cb 0.07 0.56 0.01 0.00 -1.45 0.00 0.00 42.92 42.11 3h8t s ASP 196 CO 0.40 -0.78 0.67 0.00 0.13 0.00 0.00 175.17 175.59 3h8t n TYR 197 N 0.29 0.01 -3.92 -5.34 0.18 -1.26 -1.52 117.16 105.60 3h8t n TYR 197 Ca -0.18 -0.15 -0.09 0.00 1.88 0.00 0.00 57.90 59.36 3h8t n TYR 197 Cb 0.61 -0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 39.47 3h8t n TYR 197 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 3h8t s GLN 198 N -0.34 0.73 0.47 -3.48 -2.07 -0.73 -1.61 119.66 112.63 3h8t s GLN 198 Ca 0.01 -0.95 -0.06 0.00 -1.82 0.00 0.00 55.36 52.55 3h8t s GLN 198 Cb 0.01 0.29 0.10 0.00 -1.09 0.00 0.00 33.01 32.31 3h8t s GLN 198 CO 0.01 -0.20 0.64 -0.40 -1.32 0.00 0.00 175.29 174.01 3h8t n ASP 199 N 0.21 0.28 0.04 12.60 5.68 -0.64 -4.86 116.55 129.86 3h8t n ASP 199 Ca -0.16 -1.37 0.09 0.00 -0.50 0.00 0.00 54.79 52.85 3h8t n ASP 199 Cb 0.61 -0.46 0.40 0.00 -1.14 0.00 0.00 41.12 40.52 3h8t n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h8t n ALA 200 N -3.27 1.76 -0.39 2.12 0.00 -1.26 -1.33 120.51 118.13 3h8t n ALA 200 Ca -0.10 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3h8t n ALA 200 Cb 0.30 -1.31 0.31 0.00 0.00 0.00 0.00 19.45 18.76 3h8t n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h8t n GLU 201 N -1.75 2.86 -1.45 0.00 1.02 -1.26 -4.96 120.64 115.11 3h8t n GLU 201 Ca 0.04 -2.65 -0.11 0.00 -0.02 0.00 0.00 57.16 54.41 3h8t n GLU 201 Cb 0.22 -1.59 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3h8t n GLU 201 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h8t n LEU 202 N 1.49 -0.92 -4.67 -4.62 4.77 -0.44 -4.99 117.00 107.62 3h8t n LEU 202 Ca 0.24 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 56.04 3h8t n LEU 202 Cb 0.64 -1.80 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 3h8t n LEU 202 CO 0.17 -0.54 1.23 -0.75 -1.33 0.00 0.00 177.39 176.17 3h8t s LYS 203 N -3.18 4.22 0.53 3.23 2.20 -1.26 -4.74 119.74 120.75 3h8t s LYS 203 Ca 0.00 2.01 -0.17 0.00 -0.36 0.00 0.00 55.97 57.45 3h8t s LYS 203 Cb 0.00 -3.79 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 3h8t s LYS 203 CO 0.00 -0.73 1.01 0.15 -0.36 0.00 0.00 175.35 175.42 3h8t s LYS 204 N 3.34 3.75 0.00 4.03 -0.14 -1.26 -1.62 119.74 127.84 3h8t s LYS 204 Ca 0.66 1.08 0.00 0.00 -1.36 0.00 0.00 55.97 56.36 3h8t s LYS 204 Cb -0.31 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 3h8t s LYS 204 CO 0.25 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 3h8t n GLY 205 N -1.20 0.59 3.55 -3.33 0.00 -0.63 -4.65 105.19 99.51 3h8t n GLY 205 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3h8t n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8t s VAL 206 N -2.18 5.27 -0.15 1.61 1.01 -1.18 -0.86 120.40 123.92 3h8t s VAL 206 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3h8t s VAL 206 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 3h8t s VAL 206 CO 0.00 0.04 -0.05 -0.63 0.00 0.00 0.00 175.10 174.46 3h8t s ILE 207 N 1.79 3.77 -0.07 2.22 -1.09 0.29 -1.77 121.20 126.34 3h8t s ILE 207 Ca 0.08 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 3h8t s ILE 207 Cb -0.17 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 3h8t s ILE 207 CO 0.11 0.51 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.19 3h8t s THR 208 N 0.27 2.03 0.04 2.92 2.01 -0.57 -0.75 115.64 121.59 3h8t s THR 208 Ca -0.04 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 3h8t s THR 208 Cb -0.14 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 3h8t s THR 208 CO 0.03 0.56 -0.01 0.72 -0.69 0.00 0.00 174.62 175.23 3h8t s PHE 209 N 0.05 0.36 -0.14 4.92 -0.12 -0.13 -0.31 117.98 122.61 3h8t s PHE 209 Ca -0.10 -0.75 -0.09 0.00 -0.05 0.00 0.00 56.93 55.94 3h8t s PHE 209 Cb -0.15 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 3h8t s PHE 209 CO 0.06 -0.30 0.17 0.99 -0.05 0.00 0.00 175.22 176.09 3h8t s THR 210 N -2.69 5.42 0.01 -4.49 2.01 0.13 -0.68 115.64 115.35 3h8t s THR 210 Ca -0.04 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.26 3h8t s THR 210 Cb -0.01 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 3h8t s THR 210 CO -0.05 0.54 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.62 3h8t s TYR 211 N -0.47 0.71 -0.15 4.92 -0.85 0.02 -1.55 117.35 119.97 3h8t s TYR 211 Ca 0.14 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 3h8t s TYR 211 Cb -0.12 -0.45 -0.00 0.00 0.38 0.00 0.00 41.96 41.77 3h8t s TYR 211 CO 0.03 -0.02 -0.16 0.99 -1.52 0.00 0.00 175.55 174.87 3h8t s THR 212 N -0.43 2.60 -0.21 -3.49 2.01 0.08 -1.14 115.64 115.07 3h8t s THR 212 Ca 0.01 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 60.96 3h8t s THR 212 Cb -0.04 -2.09 0.07 0.00 0.01 0.00 0.00 72.50 70.44 3h8t s THR 212 CO -0.00 0.52 0.69 -0.47 -0.69 0.00 0.00 174.62 174.67 3h8t s TYR 213 N 0.83 -0.74 0.22 4.92 6.14 -0.41 -1.01 117.35 127.31 3h8t s TYR 213 Ca -0.05 1.68 -0.17 0.00 0.64 0.00 0.00 57.07 59.17 3h8t s TYR 213 Cb -0.15 0.30 -0.08 0.00 0.42 0.00 0.00 41.96 42.45 3h8t s TYR 213 CO -0.01 -0.43 0.67 -1.25 0.64 0.00 0.00 175.55 175.17 3h8t s PRO 214 N -0.04 4.10 0.16 4.97 0.04 -1.26 -1.23 135.00 141.74 3h8t s PRO 214 Ca -0.03 0.69 0.08 0.00 0.04 0.00 0.00 61.00 61.78 3h8t s PRO 214 Cb -0.04 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3h8t s PRO 214 CO 0.03 0.36 -0.06 0.14 0.04 0.00 0.00 177.00 177.51 3h8t s VAL 215 N -1.62 3.44 0.00 -0.36 -7.23 0.44 -4.13 120.40 110.93 3h8t s VAL 215 Ca 0.44 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3h8t s VAL 215 Cb -0.14 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.10 3h8t s VAL 215 CO 0.20 -0.07 0.00 0.29 -0.31 0.00 0.00 175.10 175.21