#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h8y s SER 21 N 0.00 1.39 -0.02 6.43 0.15 0.23 -4.94 113.70 116.94 1h8y s SER 21 Ca 0.00 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.63 1h8y s SER 21 Cb 0.00 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1h8y s SER 21 CO 0.00 -0.19 -0.09 -0.51 1.20 0.00 0.00 173.24 173.65 1h8y s ILE 22 N 1.90 0.79 -0.16 6.45 2.07 -1.26 -0.98 121.20 130.01 1h8y s ILE 22 Ca 0.03 -0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 1h8y s ILE 22 Cb -0.12 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1h8y s ILE 22 CO -0.04 0.24 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.25 1h8y s THR 23 N 0.13 3.34 0.31 4.00 2.01 -0.01 -4.98 115.64 120.44 1h8y s THR 23 Ca -0.02 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1h8y s THR 23 Cb -0.08 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.89 1h8y s THR 23 CO 0.00 0.49 1.04 -0.70 -0.69 0.00 0.00 174.62 174.76 1h8y s GLU 24 N 0.66 4.54 0.29 4.92 2.12 -1.26 -1.49 118.70 128.48 1h8y s GLU 24 Ca -0.05 1.62 0.09 0.00 0.36 0.00 0.00 54.97 56.99 1h8y s GLU 24 Cb -0.15 -2.98 -0.06 0.00 0.26 0.00 0.00 34.13 31.20 1h8y s GLU 24 CO 0.02 0.17 -0.12 1.21 -0.54 0.00 0.00 175.26 176.01 1h8y s ASN 25 N -1.21 3.28 0.00 -1.70 2.47 0.20 -4.90 114.94 113.09 1h8y s ASN 25 Ca 0.48 -1.14 0.00 0.00 0.42 0.00 0.00 52.86 52.63 1h8y s ASN 25 Cb -0.27 -0.26 0.00 0.00 -1.45 0.00 0.00 41.25 39.27 1h8y s ASN 25 CO 0.34 -0.18 0.19 0.35 -3.72 0.00 0.00 177.10 174.08 1h8y n THR 26 N -0.64 0.00 1.55 -5.21 -2.24 -1.26 -4.57 114.28 101.90 1h8y n THR 26 Ca -0.05 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1h8y n THR 26 Cb 0.62 1.09 0.67 0.00 -2.10 0.00 0.00 70.33 70.62 1h8y n THR 26 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1h8y n SER 27 N -0.42 0.00 -0.01 3.42 3.41 -1.26 -3.09 113.62 115.66 1h8y n SER 27 Ca 0.00 -0.84 0.03 0.00 -0.26 0.00 0.00 58.87 57.80 1h8y n SER 27 Cb 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1h8y n SER 27 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1h8y n TRP 28 N -0.96 0.00 -0.01 7.33 8.01 -1.26 -4.70 117.44 125.85 1h8y n TRP 28 Ca 0.17 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.49 1h8y n TRP 28 Cb 0.08 0.00 0.57 0.00 -2.01 0.00 0.00 31.31 29.95 1h8y n TRP 28 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1h8y h ASN 29 N 0.07 0.22 -0.32 -0.99 2.35 -1.86 0.77 115.58 115.82 1h8y h ASN 29 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1h8y h ASN 29 Cb 0.13 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1h8y h ASN 29 CO 0.00 0.13 0.22 0.50 -1.65 0.00 0.00 177.43 176.63 1h8y h LYS 30 N 0.24 0.14 -0.24 0.81 1.63 -1.84 -0.47 116.57 116.85 1h8y h LYS 30 Ca 0.23 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.88 1h8y h LYS 30 Cb 0.58 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1h8y h LYS 30 CO -0.04 0.10 -0.44 0.93 -3.45 0.00 0.00 179.45 176.54 1h8y h GLU 31 N 0.15 0.60 0.00 1.90 4.39 -1.18 -2.08 114.58 118.35 1h8y h GLU 31 Ca 0.14 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 1h8y h GLU 31 Cb 0.39 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1h8y h GLU 31 CO -0.02 0.92 -0.26 0.74 -1.16 0.00 0.00 179.01 179.23 1h8y h PHE 32 N 0.48 0.25 -0.41 4.33 -1.00 -1.34 -3.33 116.94 115.93 1h8y h PHE 32 Ca 0.03 -0.14 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 1h8y h PHE 32 Cb 0.96 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 1h8y h PHE 32 CO 0.04 0.96 -0.10 0.66 -1.61 0.00 0.00 178.31 178.26 1h8y h SER 33 N -0.52 0.80 -0.80 2.17 4.64 -1.14 0.12 113.55 118.82 1h8y h SER 33 Ca -0.03 -0.36 0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1h8y h SER 33 Cb 1.03 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1h8y h SER 33 CO 0.05 0.98 0.56 0.00 -0.87 0.00 0.00 176.83 177.56 1h8y h ALA 34 N 0.85 2.60 -0.31 5.18 0.00 -1.54 0.75 119.26 126.79 1h8y h ALA 34 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1h8y h ALA 34 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1h8y h ALA 34 CO 0.04 -0.84 0.00 0.39 0.00 0.00 0.00 179.25 178.84 1h8y n GLU 35 N -4.35 2.32 -3.76 0.00 -0.58 -1.03 -4.98 120.64 108.26 1h8y n GLU 35 Ca 0.16 -2.13 -0.27 0.00 -0.42 0.00 0.00 57.16 54.51 1h8y n GLU 35 Cb 0.80 -1.46 0.05 0.00 -0.57 0.00 0.00 31.44 30.26 1h8y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h8y n ALA 36 N 1.32 -1.42 -2.67 0.62 0.00 0.26 -4.97 120.51 113.66 1h8y n ALA 36 Ca 0.17 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.49 1h8y n ALA 36 Cb 0.56 -4.43 -0.09 0.00 0.00 0.00 0.00 19.45 15.48 1h8y n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1h8y s VAL 37 N -3.35 4.10 -0.36 0.00 -7.23 0.27 -5.01 120.40 108.83 1h8y s VAL 37 Ca 0.53 -0.56 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 1h8y s VAL 37 Cb -0.25 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 1h8y s VAL 37 CO 0.79 0.42 0.25 0.20 -0.31 0.00 0.00 175.10 176.45 1h8y s ASN 38 N -1.41 6.04 0.17 4.85 0.01 -1.26 -4.56 114.94 118.79 1h8y s ASN 38 Ca 0.18 -0.55 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 1h8y s ASN 38 Cb -0.11 -2.14 0.07 0.00 0.41 0.00 0.00 41.25 39.49 1h8y s ASN 38 CO 0.08 -0.29 1.02 0.61 -1.51 0.00 0.00 177.10 177.01 1h8y n GLY 39 N 5.11 0.60 2.92 0.66 0.00 -1.26 -1.86 105.19 111.36 1h8y n GLY 39 Ca -0.12 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 1h8y n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s VAL 40 N -2.07 0.17 -0.10 1.61 0.11 -0.46 -4.79 120.40 114.86 1h8y s VAL 40 Ca 0.23 -0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1h8y s VAL 40 Cb -0.03 -0.18 0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1h8y s VAL 40 CO 0.05 -0.07 -0.19 0.12 -3.33 0.00 0.00 175.10 171.68 1h8y s PHE 41 N -0.34 2.22 -0.17 1.54 5.36 -1.26 -1.37 117.98 123.95 1h8y s PHE 41 Ca -0.02 -0.96 -0.00 0.00 -0.96 0.00 0.00 56.93 54.98 1h8y s PHE 41 Cb -0.03 -1.53 0.00 0.00 -0.34 0.00 0.00 43.02 41.13 1h8y s PHE 41 CO -0.00 -0.43 -0.15 0.08 -1.46 0.00 0.00 175.22 173.26 1h8y s VAL 42 N 0.61 2.62 -0.12 3.12 1.01 0.41 -3.17 120.40 124.89 1h8y s VAL 42 Ca -0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1h8y s VAL 42 Cb -0.17 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1h8y s VAL 42 CO 0.04 0.50 -0.07 -0.22 0.00 0.00 0.00 175.10 175.35 1h8y s LEU 43 N 1.08 1.19 -0.06 3.92 2.96 -0.15 -1.50 118.68 126.12 1h8y s LEU 43 Ca -0.00 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1h8y s LEU 43 Cb -0.14 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1h8y s LEU 43 CO -0.04 -0.13 -0.21 0.00 -1.32 0.00 0.00 176.35 174.65 1h8y s LYS 45 N -0.24 3.96 0.00 0.00 2.20 -0.72 -1.12 119.74 123.82 1h8y s LYS 45 Ca -0.01 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1h8y s LYS 45 Cb -0.13 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1h8y s LYS 45 CO 0.03 -0.08 0.00 0.43 -0.36 0.00 0.00 175.35 175.37 1h8y n SER 46 N 4.72 0.00 -3.74 1.43 7.64 0.71 -4.52 113.62 119.87 1h8y n SER 46 Ca -0.15 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.68 1h8y n SER 46 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1h8y n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h8y s SER 47 N 0.00 -0.20 0.00 6.43 1.04 -1.26 -4.84 113.70 114.87 1h8y s SER 47 Ca 0.00 -0.57 0.10 0.00 0.48 0.00 0.00 55.95 55.97 1h8y s SER 47 Cb 0.00 0.63 0.61 0.00 0.10 0.00 0.00 66.02 67.36 1h8y s SER 47 CO 0.00 -1.18 1.11 -1.54 0.98 0.00 0.00 173.24 172.62 1h8y n SER 48 N -0.56 0.00 -0.12 7.02 3.41 -1.26 -1.94 113.62 120.17 1h8y n SER 48 Ca -0.05 -0.92 0.14 0.00 -0.26 0.00 0.00 58.87 57.78 1h8y n SER 48 Cb 0.60 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.19 1h8y n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1h8y n LYS 49 N -0.76 0.75 -3.19 4.33 5.02 -1.26 -0.60 118.16 122.45 1h8y n LYS 49 Ca 0.08 -0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 55.91 1h8y n LYS 49 Cb 0.04 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 1h8y n LYS 49 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h8y n SER 50 N -0.91 0.57 -4.74 4.39 2.88 -0.82 -4.38 113.62 110.61 1h8y n SER 50 Ca 0.15 -2.86 -0.32 0.00 -1.33 0.00 0.00 58.87 54.52 1h8y n SER 50 Cb 0.26 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 63.02 1h8y n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h8y s ALA 52 N -1.21 1.98 0.15 0.00 0.00 0.13 -0.83 121.76 121.98 1h8y s ALA 52 Ca 0.23 -1.42 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 1h8y s ALA 52 Cb -0.12 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1h8y s ALA 52 CO 0.15 0.29 0.47 -0.08 0.00 0.00 0.00 175.76 176.59 1h8y s THR 53 N -1.71 0.05 -0.22 0.00 -1.32 -0.56 -0.97 115.64 110.90 1h8y s THR 53 Ca 0.13 -0.49 0.21 0.00 -1.21 0.00 0.00 61.69 60.33 1h8y s THR 53 Cb -0.07 -1.21 -0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1h8y s THR 53 CO 0.06 -0.21 1.04 -0.55 -2.21 0.00 0.00 174.62 172.76 1h8y h ASN 54 N 2.25 0.00 -2.54 8.08 -1.07 -1.79 0.57 115.58 121.08 1h8y h ASN 54 Ca -0.33 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.57 1h8y h ASN 54 Cb 1.27 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.14 1h8y h ASN 54 CO 0.43 0.13 -0.74 0.21 0.07 0.00 0.00 177.43 177.52 1h8y s ASN 55 N -5.53 2.83 0.10 6.14 3.04 -1.26 -4.61 114.94 115.66 1h8y s ASN 55 Ca -0.00 -1.27 -0.25 0.00 0.04 0.00 0.00 52.86 51.37 1h8y s ASN 55 Cb 0.09 -0.07 -0.12 0.00 -1.54 0.00 0.00 41.25 39.61 1h8y s ASN 55 CO 0.79 -0.40 1.69 0.25 -3.04 0.00 0.00 177.10 176.38 1h8y h LEU 56 N 8.12 -0.34 -0.35 3.21 6.46 -1.95 -1.34 115.31 129.13 1h8y h LEU 56 Ca -0.14 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1h8y h LEU 56 Cb 1.03 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1h8y h LEU 56 CO 0.38 -0.19 -0.00 0.00 -0.62 0.00 0.00 178.44 178.00 1h8y h ALA 57 N 0.60 0.31 0.00 1.25 0.00 -2.00 -2.96 119.26 116.46 1h8y h ALA 57 Ca 0.01 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1h8y h ALA 57 Cb 0.27 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1h8y h ALA 57 CO -0.05 -0.40 -0.50 -0.09 0.00 0.00 0.00 179.25 178.21 1h8y h ARG 58 N 0.09 0.00 -0.28 0.00 2.43 -1.90 -2.79 114.38 111.93 1h8y h ARG 58 Ca 0.17 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 1h8y h ARG 58 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1h8y h ARG 58 CO -0.29 0.50 0.24 0.00 -1.51 0.00 0.00 179.97 178.90 1h8y h ALA 59 N 1.50 2.11 -0.02 2.80 0.00 -1.08 -0.49 119.26 124.09 1h8y h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h8y h ALA 59 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1h8y h ALA 59 CO 0.06 -0.38 -0.11 0.43 0.00 0.00 0.00 179.25 179.25 1h8y n SER 60 N -4.16 2.07 -4.76 0.00 7.64 -1.07 -1.31 113.62 112.04 1h8y n SER 60 Ca 0.04 -1.53 -0.40 0.00 1.01 0.00 0.00 58.87 57.98 1h8y n SER 60 Cb 0.39 0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1h8y n SER 60 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1h8y s LYS 61 N -1.52 4.67 -0.14 1.43 2.20 -0.20 -4.73 119.74 121.45 1h8y s LYS 61 Ca 0.17 1.76 -0.12 0.00 -0.36 0.00 0.00 55.97 57.42 1h8y s LYS 61 Cb 0.13 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1h8y s LYS 61 CO 0.27 0.25 0.25 -1.21 -0.36 0.00 0.00 175.35 174.55 1h8y s GLU 62 N -1.38 4.08 0.27 4.03 2.02 -1.26 -4.03 118.70 122.42 1h8y s GLU 62 Ca 0.44 0.04 0.06 0.00 0.02 0.00 0.00 54.97 55.53 1h8y s GLU 62 Cb -0.31 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.50 1h8y s GLU 62 CO 0.40 0.39 -0.04 0.71 0.02 0.00 0.00 175.26 176.73 1h8y s TYR 63 N 0.03 1.88 0.33 1.61 1.51 0.29 -4.64 117.35 118.36 1h8y s TYR 63 Ca 0.16 -0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 55.18 1h8y s TYR 63 Cb -0.13 -1.08 -0.11 0.00 -0.11 0.00 0.00 41.96 40.53 1h8y s TYR 63 CO 0.04 0.21 1.52 -1.17 -1.11 0.00 0.00 175.55 175.04 1h8y s LEU 64 N -3.42 4.34 0.18 -1.29 2.96 -1.26 -0.81 118.68 119.38 1h8y s LEU 64 Ca 0.29 2.97 0.08 0.00 -0.22 0.00 0.00 54.13 57.25 1h8y s LEU 64 Cb 0.04 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.11 1h8y s LEU 64 CO 0.11 -0.87 1.42 1.55 -1.32 0.00 0.00 176.35 177.24 1h8y h PRO 65 N 3.95 0.03 0.00 0.98 0.13 -1.74 -3.46 132.00 131.89 1h8y h PRO 65 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1h8y h PRO 65 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h8y h PRO 65 CO 0.72 0.85 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 1h8y n ALA 66 N -2.39 0.00 0.25 -0.56 0.00 -0.53 -2.20 120.51 115.09 1h8y n ALA 66 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1h8y n ALA 66 Cb 0.80 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.59 1h8y n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h8y n SER 67 N 0.90 0.30 0.13 0.00 7.64 -1.26 -1.62 113.62 119.71 1h8y n SER 67 Ca 0.00 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.59 1h8y n SER 67 Cb 0.00 -0.66 0.50 0.00 -1.01 0.00 0.00 64.21 63.05 1h8y n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1h8y n THR 68 N -1.87 0.98 0.56 0.44 -2.24 -0.93 -1.41 114.28 109.81 1h8y n THR 68 Ca 0.01 0.46 0.10 0.00 -2.27 0.00 0.00 64.05 62.35 1h8y n THR 68 Cb 0.10 -1.42 0.42 0.00 -2.10 0.00 0.00 70.33 67.33 1h8y n THR 68 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1h8y n PHE 69 N -2.18 0.31 0.30 4.78 7.35 -0.64 -2.36 117.46 125.01 1h8y n PHE 69 Ca 0.01 0.11 0.18 0.00 -0.76 0.00 0.00 57.45 56.98 1h8y n PHE 69 Cb 0.13 -0.68 0.82 0.00 0.35 0.00 0.00 39.48 40.10 1h8y n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1h8y h LYS 70 N 0.00 0.00 0.32 -4.13 1.57 -1.46 -2.24 116.57 110.63 1h8y h LYS 70 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1h8y h LYS 70 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1h8y h LYS 70 CO 0.00 0.00 -0.15 0.82 -0.57 0.00 0.00 179.45 179.55 1h8y h ILE 71 N 0.00 0.00 -0.51 1.86 2.04 -1.70 -0.42 117.51 118.79 1h8y h ILE 71 Ca 0.00 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1h8y h ILE 71 Cb 0.26 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1h8y h ILE 71 CO 0.00 0.00 0.34 1.55 0.00 0.00 0.00 178.15 180.04 1h8y h PRO 72 N -0.85 0.45 -0.44 2.37 0.13 -1.77 -2.50 132.00 129.40 1h8y h PRO 72 Ca -0.04 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 1h8y h PRO 72 Cb 0.33 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1h8y h PRO 72 CO 0.07 0.30 -0.15 1.03 -0.23 0.00 0.00 178.00 179.02 1h8y h SER 73 N 0.46 0.89 -0.56 1.44 0.87 -1.39 0.02 113.55 115.28 1h8y h SER 73 Ca 0.22 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1h8y h SER 73 Cb 0.27 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1h8y h SER 73 CO -0.06 1.07 0.37 0.00 -0.53 0.00 0.00 176.83 177.68 1h8y h ALA 74 N 0.85 0.72 -0.46 6.23 0.00 -0.74 0.46 119.26 126.31 1h8y h ALA 74 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1h8y h ALA 74 Cb 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1h8y h ALA 74 CO 0.05 0.16 0.11 0.82 0.00 0.00 0.00 179.25 180.40 1h8y h ILE 75 N 0.76 1.23 -0.57 0.00 2.04 -1.06 -1.45 117.51 118.48 1h8y h ILE 75 Ca 0.21 -0.82 -0.09 0.00 1.00 0.00 0.00 64.86 65.16 1h8y h ILE 75 Cb -0.08 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1h8y h ILE 75 CO -0.04 0.29 0.00 0.40 0.00 0.00 0.00 178.15 178.80 1h8y h ILE 76 N 0.62 1.26 -0.75 -0.67 2.04 -0.88 0.54 117.51 119.68 1h8y h ILE 76 Ca 0.14 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1h8y h ILE 76 Cb 0.32 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1h8y h ILE 76 CO 0.00 0.40 0.49 1.23 0.00 0.00 0.00 178.15 180.27 1h8y h GLY 77 N 0.89 1.07 0.83 5.37 0.00 -0.73 0.07 103.07 110.57 1h8y h GLY 77 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1h8y h GLY 77 CO 0.03 0.35 -0.00 1.41 0.00 0.00 0.00 176.54 178.32 1h8y h LEU 78 N 0.97 0.37 -1.19 3.11 3.38 -0.82 0.39 115.31 121.53 1h8y h LEU 78 Ca 0.29 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1h8y h LEU 78 Cb -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1h8y h LEU 78 CO -0.08 0.59 -0.06 -0.08 0.09 0.00 0.00 178.44 178.90 1h8y h GLU 79 N 0.14 0.49 -0.00 1.13 4.57 -0.57 -1.69 114.58 118.65 1h8y h GLU 79 Ca 0.06 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1h8y h GLU 79 Cb 0.40 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1h8y h GLU 79 CO 0.01 0.56 -0.18 0.25 -1.18 0.00 0.00 179.01 178.47 1h8y n THR 80 N -4.25 0.00 -0.77 0.32 -2.24 -0.02 -4.91 114.28 102.41 1h8y n THR 80 Ca 0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1h8y n THR 80 Cb 0.28 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1h8y n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h8y n GLY 81 N 1.38 0.81 0.35 3.38 0.00 -0.64 -4.90 105.19 105.57 1h8y n GLY 81 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 1h8y n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h8y h VAL 82 N 0.00 1.26 -3.79 1.61 2.07 -1.09 -3.35 116.25 112.96 1h8y h VAL 82 Ca 0.00 -0.79 -0.63 0.00 0.82 0.00 0.00 66.70 66.10 1h8y h VAL 82 Cb 0.00 0.26 -0.16 0.00 -1.52 0.00 0.00 31.29 29.87 1h8y h VAL 82 CO 0.00 0.33 -0.36 -0.63 0.02 0.00 0.00 177.57 176.93 1h8y s ILE 83 N -5.60 5.24 0.12 4.57 1.01 0.11 -4.99 121.20 121.67 1h8y s ILE 83 Ca -0.12 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 1h8y s ILE 83 Cb 0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1h8y s ILE 83 CO 0.84 0.20 1.62 0.50 0.00 0.00 0.00 174.94 178.10 1h8y h LYS 84 N 8.23 0.62 0.00 2.79 3.64 -1.86 -3.39 116.57 126.60 1h8y h LYS 84 Ca -0.33 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 1h8y h LYS 84 Cb 1.17 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1h8y h LYS 84 CO 0.60 0.65 0.13 0.27 -2.27 0.00 0.00 179.45 178.84 1h8y n ASN 85 N -4.58 -0.30 0.25 4.20 0.23 -1.26 -5.00 115.26 108.81 1h8y n ASN 85 Ca -0.01 -1.14 0.17 0.00 -0.53 0.00 0.00 54.58 53.08 1h8y n ASN 85 Cb 0.20 0.48 0.81 0.00 -2.08 0.00 0.00 39.78 39.20 1h8y n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1h8y h GLU 86 N 0.00 0.00 -0.60 -3.83 9.09 -1.98 -2.53 114.58 114.73 1h8y h GLU 86 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.36 1h8y h GLU 86 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1h8y h GLU 86 CO 0.07 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.85 1h8y n HIS 87 N -2.81 0.85 -1.64 2.06 8.25 -1.26 -4.66 115.22 116.01 1h8y n HIS 87 Ca -0.01 -0.41 -0.48 0.00 -0.26 0.00 0.00 57.72 56.57 1h8y n HIS 87 Cb 0.18 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 1h8y n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1h8y n GLN 88 N 1.19 1.74 -4.29 -0.41 -0.06 -0.96 -4.97 117.38 109.62 1h8y n GLN 88 Ca 0.20 0.62 -0.34 0.00 -2.00 0.00 0.00 57.00 55.48 1h8y n GLN 88 Cb 0.53 -2.30 -0.10 0.00 -4.06 0.00 0.00 30.24 24.31 1h8y n GLN 88 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1h8y s VAL 89 N 0.43 4.29 -0.66 1.69 1.01 -1.26 -3.88 120.40 122.03 1h8y s VAL 89 Ca 0.77 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1h8y s VAL 89 Cb -0.77 -2.87 0.17 0.00 0.00 0.00 0.00 36.38 32.92 1h8y s VAL 89 CO 0.45 0.53 0.58 -0.36 0.00 0.00 0.00 175.10 176.30 1h8y s PHE 90 N -0.14 3.51 0.26 5.22 0.08 0.89 -4.95 117.98 122.86 1h8y s PHE 90 Ca 0.05 -1.83 -0.29 0.00 0.12 0.00 0.00 56.93 54.97 1h8y s PHE 90 Cb -0.13 -3.69 -0.10 0.00 -0.57 0.00 0.00 43.02 38.53 1h8y s PHE 90 CO 0.02 -0.98 1.30 -1.59 -0.10 0.00 0.00 175.22 173.86 1h8y s LYS 91 N 0.79 4.39 -0.08 0.44 -2.85 -1.26 -1.17 119.74 119.99 1h8y s LYS 91 Ca 0.11 2.11 -0.26 0.00 -1.00 0.00 0.00 55.97 56.93 1h8y s LYS 91 Cb -0.20 -3.14 -0.03 0.00 -2.06 0.00 0.00 37.83 32.40 1h8y s LYS 91 CO -0.03 -0.19 0.83 -0.46 0.10 0.00 0.00 175.35 175.60 1h8y s TRP 92 N -0.54 3.55 -1.34 1.78 -0.00 -1.25 -4.93 118.94 116.21 1h8y s TRP 92 Ca 0.52 1.39 0.26 0.00 -0.00 0.00 0.00 56.10 58.28 1h8y s TRP 92 Cb -0.38 -2.97 1.29 0.00 -0.00 0.00 0.00 33.47 31.41 1h8y s TRP 92 CO 0.45 -0.05 1.89 -0.40 -0.00 0.00 0.00 176.95 178.83 1h8y n ASP 93 N 4.32 0.00 0.00 5.86 5.68 -1.26 -4.87 116.55 126.27 1h8y n ASP 93 Ca 0.03 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1h8y n ASP 93 Cb 0.50 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1h8y n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h8y n GLY 94 N 1.01 0.61 3.85 6.12 0.00 -1.26 -5.05 105.19 110.46 1h8y n GLY 94 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1h8y n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s LYS 95 N -0.80 3.95 0.20 1.61 1.02 -1.26 -5.01 119.74 119.46 1h8y s LYS 95 Ca 0.00 0.45 -0.32 0.00 0.02 0.00 0.00 55.97 56.12 1h8y s LYS 95 Cb 0.00 -2.94 -0.15 0.00 -0.52 0.00 0.00 37.83 34.23 1h8y s LYS 95 CO 0.00 0.49 1.24 -2.30 -0.92 0.00 0.00 175.35 173.85 1h8y n PRO 96 N 0.81 1.45 -4.31 -1.68 -0.02 -1.26 -5.01 135.00 124.98 1h8y n PRO 96 Ca -0.06 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.68 1h8y n PRO 96 Cb 0.52 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1h8y n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h8y s ARG 97 N -0.44 2.16 0.43 -0.52 0.52 -1.26 -5.04 118.95 114.80 1h8y s ARG 97 Ca 0.71 -1.99 0.21 0.00 -0.52 0.00 0.00 55.73 54.14 1h8y s ARG 97 Cb -0.78 -1.85 0.97 0.00 0.52 0.00 0.00 34.95 33.81 1h8y s ARG 97 CO 0.52 -0.16 1.88 0.00 0.02 0.00 0.00 175.30 177.55 1h8y h ALA 98 N 1.45 1.19 -4.18 2.13 0.00 -1.98 -3.43 119.26 114.44 1h8y h ALA 98 Ca -0.43 -0.24 -0.48 0.00 0.00 0.00 0.00 54.91 53.76 1h8y h ALA 98 Cb 1.26 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1h8y h ALA 98 CO 0.72 0.34 -0.81 -1.64 0.00 0.00 0.00 179.25 177.86 1h8y s MET 99 N -3.95 1.10 0.19 0.00 -1.94 -1.26 -5.04 119.30 108.41 1h8y s MET 99 Ca -0.01 -0.50 0.23 0.00 -1.71 0.00 0.00 55.69 53.70 1h8y s MET 99 Cb 0.12 -1.07 0.90 0.00 2.01 0.00 0.00 34.83 36.80 1h8y s MET 99 CO 0.66 0.29 1.71 1.63 -0.01 0.00 0.00 175.02 179.30 1h8y n LYS 100 N 2.72 0.17 0.12 2.03 5.02 -1.26 -1.94 118.16 125.01 1h8y n LYS 100 Ca -0.14 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 1h8y n LYS 100 Cb 0.55 -1.77 0.45 0.00 -0.02 0.00 0.00 35.03 34.24 1h8y n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h8y n GLN 101 N -2.07 0.24 0.00 1.97 10.64 -1.26 -1.97 117.38 124.92 1h8y n GLN 101 Ca 0.04 0.31 0.13 0.00 -1.83 0.00 0.00 57.00 55.65 1h8y n GLN 101 Cb 0.28 -1.84 0.41 0.00 -0.86 0.00 0.00 30.24 28.23 1h8y n GLN 101 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1h8y n TRP 102 N -2.27 0.00 -2.47 2.61 8.01 -0.82 -4.64 117.44 117.87 1h8y n TRP 102 Ca 0.04 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.81 1h8y n TRP 102 Cb 0.34 -0.02 0.01 0.00 -2.01 0.00 0.00 31.31 29.63 1h8y n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1h8y n GLU 103 N 0.24 4.13 -3.60 -0.99 1.02 -0.83 -4.84 120.64 115.78 1h8y n GLU 103 Ca 0.17 -3.86 0.01 0.00 -0.02 0.00 0.00 57.16 53.46 1h8y n GLU 103 Cb 0.40 -2.74 -0.01 0.00 -0.02 0.00 0.00 31.44 29.07 1h8y n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1h8y s ARG 104 N -1.01 0.19 0.41 3.49 1.70 -1.26 -5.08 118.95 117.38 1h8y s ARG 104 Ca 0.40 -0.10 -0.25 0.00 -0.47 0.00 0.00 55.73 55.31 1h8y s ARG 104 Cb 0.10 0.07 -0.08 0.00 -0.57 0.00 0.00 34.95 34.47 1h8y s ARG 104 CO 0.01 -0.09 1.17 -0.51 -1.08 0.00 0.00 175.30 174.80 1h8y s ASP 105 N -2.72 6.46 -0.00 -2.89 1.01 -1.26 -3.94 116.67 113.32 1h8y s ASP 105 Ca 0.13 2.33 0.03 0.00 0.71 0.00 0.00 52.55 55.75 1h8y s ASP 105 Cb 0.04 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1h8y s ASP 105 CO -0.05 -0.72 -0.09 -0.76 0.21 0.00 0.00 175.17 173.76 1h8y s LEU 106 N -2.60 2.04 0.85 1.23 1.43 -0.32 -4.93 118.68 116.37 1h8y s LEU 106 Ca 0.58 -0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1h8y s LEU 106 Cb -0.30 -0.44 0.11 0.00 0.03 0.00 0.00 46.19 45.60 1h8y s LEU 106 CO 0.37 0.08 1.21 -0.94 0.23 0.00 0.00 176.35 177.30 1h8y s SER 107 N -0.35 4.13 0.11 2.29 1.04 -1.26 -0.08 113.70 119.58 1h8y s SER 107 Ca 0.02 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 56.86 1h8y s SER 107 Cb -0.04 -0.98 -0.08 0.00 0.10 0.00 0.00 66.02 65.03 1h8y s SER 107 CO -0.00 -2.12 1.71 0.25 0.98 0.00 0.00 173.24 174.06 1h8y h LEU 108 N -1.19 0.25 -0.30 2.42 5.85 -1.83 -0.08 115.31 120.44 1h8y h LEU 108 Ca -0.45 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.22 1h8y h LEU 108 Cb 1.30 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1h8y h LEU 108 CO 0.58 0.26 0.11 -0.09 -0.34 0.00 0.00 178.44 178.95 1h8y h ARG 109 N 0.23 0.24 -0.38 1.25 2.43 -1.92 -1.02 114.38 115.21 1h8y h ARG 109 Ca 0.07 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1h8y h ARG 109 Cb 0.06 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1h8y h ARG 109 CO -0.01 0.16 0.07 0.78 -1.51 0.00 0.00 179.97 179.46 1h8y h GLY 110 N 0.25 0.44 1.47 2.80 0.00 -1.84 0.33 103.07 106.52 1h8y h GLY 110 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1h8y h GLY 110 CO -0.13 -0.03 0.17 0.00 0.00 0.00 0.00 176.54 176.55 1h8y h ALA 111 N 1.29 1.41 -0.05 3.60 0.00 -0.75 -2.16 119.26 122.60 1h8y h ALA 111 Ca 0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1h8y h ALA 111 Cb 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1h8y h ALA 111 CO -0.24 0.44 -0.43 0.82 0.00 0.00 0.00 179.25 179.84 1h8y h ILE 112 N 0.68 1.42 -0.77 0.00 2.04 -0.85 -0.52 117.51 119.51 1h8y h ILE 112 Ca 0.16 -1.86 0.08 0.00 1.00 0.00 0.00 64.86 64.23 1h8y h ILE 112 Cb 0.17 2.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 1h8y h ILE 112 CO -0.01 0.54 0.44 -0.61 0.00 0.00 0.00 178.15 178.51 1h8y h GLN 113 N -0.11 0.75 -0.67 2.37 5.75 -0.68 -0.95 115.11 121.57 1h8y h GLN 113 Ca -0.04 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1h8y h GLN 113 Cb 1.11 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1h8y h GLN 113 CO 0.09 0.50 0.00 1.33 -2.65 0.00 0.00 178.83 178.09 1h8y n VAL 114 N -4.75 1.39 -3.32 2.39 0.24 -0.83 -4.96 118.33 108.49 1h8y n VAL 114 Ca 0.11 -1.03 -0.16 0.00 -2.04 0.00 0.00 64.34 61.23 1h8y n VAL 114 Cb 0.23 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1h8y n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1h8y n SER 115 N 1.26 -2.84 -4.57 -1.34 7.64 -0.36 -4.72 113.62 108.69 1h8y n SER 115 Ca 0.24 -0.60 -0.41 0.00 1.01 0.00 0.00 58.87 59.11 1h8y n SER 115 Cb 0.74 -0.95 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1h8y n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h8y s ALA 116 N -2.67 2.64 0.11 -0.43 0.00 -0.26 -4.90 121.76 116.26 1h8y s ALA 116 Ca 0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 1h8y s ALA 116 Cb -0.01 -4.16 -0.09 0.00 0.00 0.00 0.00 23.12 18.86 1h8y s ALA 116 CO 0.54 -3.18 1.70 0.28 0.00 0.00 0.00 175.76 175.09 1h8y h VAL 117 N 6.52 0.74 -0.41 0.00 2.07 -1.90 -2.59 116.25 120.69 1h8y h VAL 117 Ca -0.27 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1h8y h VAL 117 Cb 1.11 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1h8y h VAL 117 CO 1.18 0.00 0.27 1.55 0.02 0.00 0.00 177.57 180.59 1h8y h PRO 118 N -0.18 0.48 -0.06 1.57 0.13 -1.98 0.33 132.00 132.28 1h8y h PRO 118 Ca 0.04 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1h8y h PRO 118 Cb 0.22 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.24 1h8y h PRO 118 CO -0.10 0.32 0.02 0.28 -0.23 0.00 0.00 178.00 178.29 1h8y h VAL 119 N 0.49 1.18 0.00 1.56 2.07 -1.91 -2.34 116.25 117.29 1h8y h VAL 119 Ca 0.16 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1h8y h VAL 119 Cb 0.03 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1h8y h VAL 119 CO -0.04 0.15 -0.28 -0.26 0.02 0.00 0.00 177.57 177.16 1h8y h PHE 120 N -0.10 0.00 -0.40 1.57 0.04 -1.00 -1.65 116.94 115.40 1h8y h PHE 120 Ca 0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1h8y h PHE 120 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1h8y h PHE 120 CO -0.00 0.28 -0.29 1.96 -0.60 0.00 0.00 178.31 179.66 1h8y h GLN 121 N 0.00 0.86 -0.41 1.51 4.20 -0.26 -1.64 115.11 119.37 1h8y h GLN 121 Ca -0.00 -0.40 -0.13 0.00 0.06 0.00 0.00 58.65 58.18 1h8y h GLN 121 Cb 0.89 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1h8y h GLN 121 CO 0.04 1.04 -0.26 0.37 -0.67 0.00 0.00 178.83 179.34 1h8y h GLN 122 N 0.73 0.90 -0.10 1.46 5.75 -1.27 -1.59 115.11 120.99 1h8y h GLN 122 Ca 0.08 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.18 1h8y h GLN 122 Cb 0.84 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1h8y h GLN 122 CO 0.07 1.07 0.00 0.82 -2.65 0.00 0.00 178.83 178.15 1h8y h ILE 123 N 0.72 0.93 -0.85 2.39 2.04 -1.19 -1.97 117.51 119.57 1h8y h ILE 123 Ca 0.08 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1h8y h ILE 123 Cb 0.84 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1h8y h ILE 123 CO 0.07 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.75 1h8y h ALA 124 N 1.09 1.32 -0.16 1.87 0.00 -1.09 -1.41 119.26 120.88 1h8y h ALA 124 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1h8y h ALA 124 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1h8y h ALA 124 CO -0.08 0.59 -0.22 0.00 0.00 0.00 0.00 179.25 179.54 1h8y h ARG 125 N 1.17 0.28 0.01 0.00 3.08 -0.82 -1.26 114.38 116.82 1h8y h ARG 125 Ca 0.31 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 60.03 1h8y h ARG 125 Cb -0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1h8y h ARG 125 CO -0.06 0.49 -1.22 0.93 -1.07 0.00 0.00 179.97 179.04 1h8y h GLU 126 N 0.25 0.01 -0.29 0.04 5.08 -0.60 -3.26 114.58 115.82 1h8y h GLU 126 Ca 0.04 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1h8y h GLU 126 Cb 0.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1h8y h GLU 126 CO 0.04 0.87 -0.01 0.28 -1.00 0.00 0.00 179.01 179.18 1h8y h VAL 127 N 0.00 1.26 0.00 3.13 2.07 -1.11 -3.50 116.25 118.11 1h8y h VAL 127 Ca -0.10 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1h8y h VAL 127 Cb 1.85 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1h8y h VAL 127 CO 0.12 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1h8y n GLY 128 N -0.29 -2.10 0.25 2.17 0.00 -0.49 -4.28 105.19 100.45 1h8y n GLY 128 Ca -0.03 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 1h8y n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1h8y h GLU 129 N 0.00 -0.17 0.38 1.61 4.57 -1.90 -0.38 114.58 118.70 1h8y h GLU 129 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1h8y h GLU 129 Cb 0.00 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1h8y h GLU 129 CO 0.00 -0.11 -0.25 0.28 -1.18 0.00 0.00 179.01 177.75 1h8y h VAL 130 N -0.17 0.48 -0.77 0.32 2.07 -2.00 0.21 116.25 116.39 1h8y h VAL 130 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1h8y h VAL 130 Cb 0.43 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1h8y h VAL 130 CO -0.42 0.00 0.37 0.03 0.02 0.00 0.00 177.57 177.57 1h8y h ARG 131 N -0.61 1.12 -0.64 1.57 3.08 -1.71 -1.43 114.38 115.75 1h8y h ARG 131 Ca -0.04 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1h8y h ARG 131 Cb 0.51 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1h8y h ARG 131 CO 0.03 0.87 0.40 1.98 -1.07 0.00 0.00 179.97 182.18 1h8y h MET 132 N 1.09 0.76 -0.65 0.04 4.05 -0.73 0.44 114.93 119.92 1h8y h MET 132 Ca 0.26 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.55 1h8y h MET 132 Cb 0.13 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1h8y h MET 132 CO -0.03 0.50 0.07 0.37 0.23 0.00 0.00 176.91 178.05 1h8y h GLN 133 N 0.78 1.10 -0.18 0.39 5.75 -0.34 -1.56 115.11 121.05 1h8y h GLN 133 Ca 0.26 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1h8y h GLN 133 Cb 0.01 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1h8y h GLN 133 CO -0.10 1.03 0.09 -0.22 -2.65 0.00 0.00 178.83 176.97 1h8y h LYS 134 N 1.02 0.26 -0.44 1.69 3.64 -0.09 -2.49 116.57 120.17 1h8y h LYS 134 Ca 0.19 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1h8y h LYS 134 Cb 0.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1h8y h LYS 134 CO 0.02 0.30 -0.10 1.88 -2.27 0.00 0.00 179.45 179.28 1h8y h TYR 135 N 0.16 0.87 0.00 1.91 0.05 -0.80 -1.67 116.97 117.48 1h8y h TYR 135 Ca 0.06 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1h8y h TYR 135 Cb 0.13 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1h8y h TYR 135 CO -0.02 0.85 0.00 1.28 -1.05 0.00 0.00 178.16 179.22 1h8y n LEU 136 N -4.16 0.40 0.12 3.88 4.77 -0.60 -0.99 117.00 120.42 1h8y n LEU 136 Ca 0.01 0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 56.32 1h8y n LEU 136 Cb 0.36 -0.48 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1h8y n LEU 136 CO 0.43 -0.28 -0.34 0.50 -1.33 0.00 0.00 177.39 176.37 1h8y h LYS 137 N 0.00 0.50 -0.76 3.23 3.64 -0.96 -2.11 116.57 120.11 1h8y h LYS 137 Ca 0.00 -0.85 -0.04 0.00 -1.27 0.00 0.00 60.65 58.49 1h8y h LYS 137 Cb 0.45 0.32 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1h8y h LYS 137 CO 0.00 1.41 0.30 0.87 -2.27 0.00 0.00 179.45 179.76 1h8y h LYS 138 N 0.13 1.13 -0.00 1.90 1.57 -0.80 -2.76 116.57 117.74 1h8y h LYS 138 Ca -0.29 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1h8y h LYS 138 Cb 2.15 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.27 1h8y h LYS 138 CO 0.24 0.92 -0.12 1.19 -0.57 0.00 0.00 179.45 181.12 1h8y n PHE 139 N -4.32 0.00 -3.76 -1.35 3.72 -0.16 -4.77 117.46 106.83 1h8y n PHE 139 Ca 0.06 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.18 1h8y n PHE 139 Cb 0.18 -0.41 0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1h8y n PHE 139 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1h8y n SER 140 N -1.46 -3.31 -4.37 4.37 7.64 -1.03 -4.89 113.62 110.58 1h8y n SER 140 Ca 0.07 -0.99 -0.45 0.00 1.01 0.00 0.00 58.87 58.51 1h8y n SER 140 Cb 0.33 -3.37 -0.04 0.00 -1.01 0.00 0.00 64.21 60.12 1h8y n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1h8y s TYR 141 N -3.64 3.17 0.00 1.43 5.04 -0.82 -4.97 117.35 117.56 1h8y s TYR 141 Ca 0.28 -1.23 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1h8y s TYR 141 Cb -0.10 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.21 1h8y s TYR 141 CO 0.86 -1.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.24 1h8y n GLY 142 N 5.08 2.98 0.24 8.97 0.00 -1.26 -2.16 105.19 119.03 1h8y n GLY 142 Ca -0.01 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1h8y n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h8y n ASN 143 N 1.78 0.72 -3.52 1.61 6.94 -0.00 -4.91 115.26 117.87 1h8y n ASN 143 Ca 0.00 -1.49 -0.24 0.00 -0.02 0.00 0.00 54.58 52.83 1h8y n ASN 143 Cb 0.00 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.36 1h8y n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1h8y n GLN 144 N -0.33 -2.65 -3.41 -3.83 6.02 -0.92 -4.91 117.38 107.35 1h8y n GLN 144 Ca 0.16 0.30 -0.44 0.00 -0.01 0.00 0.00 57.00 57.01 1h8y n GLN 144 Cb 0.19 -4.94 -0.08 0.00 1.02 0.00 0.00 30.24 26.43 1h8y n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1h8y s ASN 145 N -2.74 6.10 -0.30 1.08 3.04 -1.26 -4.95 114.94 115.92 1h8y s ASN 145 Ca 0.45 -1.33 0.10 0.00 0.04 0.00 0.00 52.86 52.12 1h8y s ASN 145 Cb -0.25 -2.17 0.66 0.00 -1.54 0.00 0.00 41.25 37.96 1h8y s ASN 145 CO 0.55 -0.63 1.69 2.30 -3.04 0.00 0.00 177.10 177.97 1h8y n ILE 146 N 5.18 2.79 -1.70 -5.21 -5.35 -1.26 -2.59 119.36 111.22 1h8y n ILE 146 Ca -0.12 -1.90 -0.30 0.00 -0.27 0.00 0.00 62.75 60.16 1h8y n ILE 146 Cb 0.44 -0.34 0.07 0.00 -1.74 0.00 0.00 39.64 38.06 1h8y n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1h8y s SER 147 N -1.48 4.95 0.00 7.28 1.04 -1.26 -4.37 113.70 119.86 1h8y s SER 147 Ca 0.51 1.24 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1h8y s SER 147 Cb 0.42 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1h8y s SER 147 CO 0.10 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.26 1h8y n GLY 148 N -2.50 1.04 0.00 7.32 0.00 -1.26 -3.14 105.19 106.66 1h8y n GLY 148 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1h8y n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h8y n GLY 149 N -1.90 2.27 0.29 -0.02 0.00 -1.26 -4.32 105.19 100.25 1h8y n GLY 149 Ca 0.00 -1.33 0.16 0.00 0.00 0.00 0.00 46.02 44.85 1h8y n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h8y h ILE 150 N 0.00 0.39 -0.45 -0.61 6.09 -1.94 -1.35 117.51 119.65 1h8y h ILE 150 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1h8y h ILE 150 Cb 0.00 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1h8y h ILE 150 CO 0.00 0.04 0.00 -0.90 -3.07 0.00 0.00 178.15 174.22 1h8y n ASP 151 N -3.55 3.41 0.00 2.19 5.68 -1.26 -4.55 116.55 118.47 1h8y n ASP 151 Ca -0.02 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1h8y n ASP 151 Cb 0.15 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1h8y n ASP 151 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1h8y n LYS 152 N 0.70 1.75 -0.27 0.11 5.02 -0.59 -4.81 118.16 120.06 1h8y n LYS 152 Ca 0.17 -0.05 0.09 0.00 -2.02 0.00 0.00 58.31 56.50 1h8y n LYS 152 Cb 0.56 -0.31 0.33 0.00 -0.02 0.00 0.00 35.03 35.59 1h8y n LYS 152 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1h8y h PHE 153 N 0.00 0.90 -0.00 2.13 -5.15 -1.53 0.56 116.94 113.85 1h8y h PHE 153 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 1h8y h PHE 153 Cb 0.08 -0.29 0.00 0.00 0.22 0.00 0.00 35.95 35.97 1h8y h PHE 153 CO 0.00 0.39 -0.23 -2.67 -2.00 0.00 0.00 178.31 173.80 1h8y n TRP 154 N -4.54 0.00 -0.09 6.09 2.14 -1.26 -1.58 117.44 118.20 1h8y n TRP 154 Ca 0.16 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.61 1h8y n TRP 154 Cb 0.36 -0.34 -0.11 0.00 -0.81 0.00 0.00 31.31 30.41 1h8y n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1h8y n LEU 155 N -1.40 1.73 0.00 5.67 4.77 -0.70 -1.45 117.00 125.63 1h8y n LEU 155 Ca 0.08 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1h8y n LEU 155 Cb 0.33 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1h8y n LEU 155 CO 0.30 0.65 0.01 -0.62 -1.33 0.00 0.00 177.39 176.40 1h8y n GLU 156 N -2.88 0.21 0.00 3.23 1.02 0.10 -4.92 120.64 117.40 1h8y n GLU 156 Ca -0.32 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1h8y n GLU 156 Cb 0.94 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 1h8y n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h8y n GLY 157 N 0.03 0.47 1.53 0.62 0.00 -0.61 -4.95 105.19 102.28 1h8y n GLY 157 Ca 0.00 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.52 1h8y n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h8y n GLN 158 N 0.00 3.40 -2.55 1.61 1.13 -1.19 -4.95 117.38 114.84 1h8y n GLN 158 Ca 0.00 -2.80 -0.42 0.00 -1.94 0.00 0.00 57.00 51.84 1h8y n GLN 158 Cb 0.00 -1.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.52 1h8y n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1h8y s LEU 159 N -1.56 4.42 0.03 1.08 2.96 -1.07 -4.74 118.68 119.81 1h8y s LEU 159 Ca 0.51 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1h8y s LEU 159 Cb 0.31 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 1h8y s LEU 159 CO 0.28 -0.30 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.84 1h8y s ARG 160 N 0.51 0.39 -0.21 1.98 1.81 -1.26 -4.05 118.95 118.11 1h8y s ARG 160 Ca 0.53 -0.71 -0.20 0.00 -1.72 0.00 0.00 55.73 53.63 1h8y s ARG 160 Cb -0.27 0.05 0.05 0.00 -0.45 0.00 0.00 34.95 34.33 1h8y s ARG 160 CO 0.31 -0.04 0.56 -1.50 -0.68 0.00 0.00 175.30 173.95 1h8y s ILE 161 N -1.74 0.00 0.55 1.52 2.07 0.01 -0.82 121.20 122.79 1h8y s ILE 161 Ca -0.12 -0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1h8y s ILE 161 Cb -0.08 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.76 1h8y s ILE 161 CO -0.02 -0.00 0.79 -0.94 -1.91 0.00 0.00 174.94 172.86 1h8y s SER 162 N 0.27 5.34 0.23 4.50 1.04 -1.26 -0.55 113.70 123.27 1h8y s SER 162 Ca -0.00 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1h8y s SER 162 Cb -0.04 -1.07 0.27 0.00 0.10 0.00 0.00 66.02 65.28 1h8y s SER 162 CO 0.01 -1.11 1.86 0.00 0.98 0.00 0.00 173.24 174.98 1h8y h ALA 163 N 0.03 1.10 -0.69 5.32 0.00 -1.67 -1.48 119.26 121.88 1h8y h ALA 163 Ca -0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1h8y h ALA 163 Cb 1.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1h8y h ALA 163 CO 0.55 0.31 0.33 0.28 0.00 0.00 0.00 179.25 180.71 1h8y h VAL 164 N 0.99 1.23 -0.34 0.00 2.07 -1.56 -2.40 116.25 116.24 1h8y h VAL 164 Ca 0.34 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 1h8y h VAL 164 Cb 0.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1h8y h VAL 164 CO -0.14 0.27 -0.25 -1.13 0.02 0.00 0.00 177.57 176.34 1h8y h ASN 165 N 0.96 0.69 -0.45 0.57 -0.73 -1.72 -1.43 115.58 113.47 1h8y h ASN 165 Ca 0.24 -0.25 0.01 0.00 1.87 0.00 0.00 56.30 58.17 1h8y h ASN 165 Cb 0.12 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1h8y h ASN 165 CO -0.03 0.92 0.28 1.56 -0.37 0.00 0.00 177.43 179.78 1h8y h GLN 166 N 0.59 0.55 -0.65 6.67 1.08 -1.14 -1.09 115.11 121.10 1h8y h GLN 166 Ca 0.08 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1h8y h GLN 166 Cb 0.74 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.02 1h8y h GLN 166 CO 0.06 0.36 0.30 0.28 -0.95 0.00 0.00 178.83 178.88 1h8y h VAL 167 N 0.56 1.23 -0.72 -0.54 2.07 -1.04 -1.00 116.25 116.81 1h8y h VAL 167 Ca 0.17 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1h8y h VAL 167 Cb -0.03 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1h8y h VAL 167 CO -0.06 0.27 0.24 -0.33 0.02 0.00 0.00 177.57 177.71 1h8y h GLU 168 N 0.91 1.11 -0.34 1.57 5.08 -1.03 0.46 114.58 122.33 1h8y h GLU 168 Ca 0.22 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1h8y h GLU 168 Cb 0.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1h8y h GLU 168 CO -0.03 0.93 -0.21 0.35 -1.00 0.00 0.00 179.01 179.05 1h8y h PHE 169 N 1.07 0.87 -0.42 4.33 3.57 -0.89 -1.74 116.94 123.72 1h8y h PHE 169 Ca 0.24 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1h8y h PHE 169 Cb 0.28 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1h8y h PHE 169 CO 0.02 0.97 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.89 1h8y h LEU 170 N 0.52 0.73 -0.61 0.59 3.38 -1.00 -1.20 115.31 117.73 1h8y h LEU 170 Ca 0.07 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1h8y h LEU 170 Cb 0.76 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1h8y h LEU 170 CO 0.06 0.87 -0.12 -0.08 0.09 0.00 0.00 178.44 179.26 1h8y h GLU 171 N 0.68 0.98 -0.54 1.13 4.81 -0.80 0.40 114.58 121.23 1h8y h GLU 171 Ca 0.12 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1h8y h GLU 171 Cb 0.57 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1h8y h GLU 171 CO 0.04 1.03 0.18 0.77 -0.73 0.00 0.00 179.01 180.29 1h8y h SER 172 N 0.87 0.79 -0.39 1.04 0.02 -0.85 -1.54 113.55 113.48 1h8y h SER 172 Ca 0.13 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1h8y h SER 172 Cb 0.67 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1h8y h SER 172 CO 0.05 0.78 0.23 0.25 -1.14 0.00 0.00 176.83 177.00 1h8y h LEU 173 N 0.75 0.47 -0.62 5.07 5.85 -0.79 0.32 115.31 126.36 1h8y h LEU 173 Ca 0.18 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1h8y h LEU 173 Cb 0.27 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1h8y h LEU 173 CO -0.01 0.38 0.25 0.15 -0.34 0.00 0.00 178.44 178.87 1h8y h PHE 174 N 0.51 0.43 -0.01 1.25 3.57 -0.00 0.64 116.94 123.33 1h8y h PHE 174 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1h8y h PHE 174 Cb 0.00 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1h8y h PHE 174 CO -0.04 0.12 0.00 1.28 -2.23 0.00 0.00 178.31 177.44 1h8y n LEU 175 N -4.98 0.68 -1.64 0.59 4.77 -0.60 -4.91 117.00 110.92 1h8y n LEU 175 Ca 0.09 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 1h8y n LEU 175 Cb 0.27 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1h8y n LEU 175 CO 0.23 0.12 -0.10 0.59 -1.33 0.00 0.00 177.39 176.89 1h8y n ASN 176 N -0.45 -4.13 -0.67 -1.43 3.02 0.22 -4.88 115.26 106.93 1h8y n ASN 176 Ca 0.21 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1h8y n ASN 176 Cb 0.22 -3.20 0.04 0.00 -0.61 0.00 0.00 39.78 36.23 1h8y n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h8y n LYS 177 N -2.43 1.69 -1.73 3.52 5.02 0.90 -4.90 118.16 120.23 1h8y n LYS 177 Ca -0.12 -1.38 -0.34 0.00 -2.02 0.00 0.00 58.31 54.46 1h8y n LYS 177 Cb 0.60 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 34.23 1h8y n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h8y s LEU 178 N -2.16 3.44 -1.28 -0.35 1.43 -1.24 -4.88 118.68 113.64 1h8y s LEU 178 Ca 0.22 2.20 -0.18 0.00 -1.03 0.00 0.00 54.13 55.34 1h8y s LEU 178 Cb 0.18 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.84 1h8y s LEU 178 CO 0.42 -1.81 1.93 -1.20 0.23 0.00 0.00 176.35 175.92 1h8y n SER 179 N -2.29 4.13 -3.65 2.29 7.64 -1.26 -4.78 113.62 115.69 1h8y n SER 179 Ca 0.12 -2.84 -0.09 0.00 1.01 0.00 0.00 58.87 57.06 1h8y n SER 179 Cb 0.51 -1.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1h8y n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h8y s ALA 180 N 4.92 -1.40 0.75 -0.43 0.00 -1.26 -5.02 121.76 119.32 1h8y s ALA 180 Ca 0.54 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 1h8y s ALA 180 Cb 0.07 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1h8y s ALA 180 CO 0.04 -0.91 1.13 -1.54 0.00 0.00 0.00 175.76 174.47 1h8y s SER 181 N -2.84 4.37 0.33 0.00 1.04 -1.26 -4.87 113.70 110.48 1h8y s SER 181 Ca 0.06 2.03 0.02 0.00 0.48 0.00 0.00 55.95 58.54 1h8y s SER 181 Cb -0.04 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.12 1h8y s SER 181 CO -0.02 -2.13 1.94 0.50 0.98 0.00 0.00 173.24 174.50 1h8y h LYS 182 N -0.75 0.73 -0.27 4.02 3.64 -1.93 -2.26 116.57 119.75 1h8y h LYS 182 Ca -0.45 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1h8y h LYS 182 Cb 1.25 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1h8y h LYS 182 CO 0.50 0.58 0.15 1.49 -2.27 0.00 0.00 179.45 179.91 1h8y h GLU 183 N 0.73 0.38 -0.08 1.90 4.81 -1.98 0.38 114.58 120.71 1h8y h GLU 183 Ca 0.18 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1h8y h GLU 183 Cb 0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1h8y h GLU 183 CO -0.02 0.32 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.23 1h8y h ASN 184 N 0.33 0.19 -0.37 1.04 2.35 -1.85 0.03 115.58 117.30 1h8y h ASN 184 Ca 0.10 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1h8y h ASN 184 Cb 0.05 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1h8y h ASN 184 CO -0.02 0.61 -0.08 1.56 -1.65 0.00 0.00 177.43 177.86 1h8y h GLN 185 N 0.15 0.71 -0.81 0.81 4.20 -0.80 -2.22 115.11 117.15 1h8y h GLN 185 Ca 0.01 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1h8y h GLN 185 Cb 0.85 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1h8y h GLN 185 CO 0.07 0.86 0.42 -0.07 -0.67 0.00 0.00 178.83 179.44 1h8y h LEU 186 N 0.51 1.03 -0.09 1.46 3.38 0.06 -0.28 115.31 121.38 1h8y h LEU 186 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h8y h LEU 186 Cb 0.59 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1h8y h LEU 186 CO 0.04 0.85 0.05 0.40 0.09 0.00 0.00 178.44 179.87 1h8y h ILE 187 N 1.13 1.01 -0.69 1.22 2.04 -0.80 -1.92 117.51 119.51 1h8y h ILE 187 Ca 0.28 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 1h8y h ILE 187 Cb 0.07 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1h8y h ILE 187 CO -0.04 0.02 0.19 0.58 0.00 0.00 0.00 178.15 178.90 1h8y h VAL 188 N 0.11 1.26 -1.00 1.67 2.07 -1.17 -1.97 116.25 117.21 1h8y h VAL 188 Ca 0.03 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.70 1h8y h VAL 188 Cb -0.00 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1h8y h VAL 188 CO -0.02 0.36 0.65 0.11 0.02 0.00 0.00 177.57 178.69 1h8y h LYS 189 N 1.04 1.14 -0.01 1.57 1.57 -0.78 -2.31 116.57 118.79 1h8y h LYS 189 Ca 0.22 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 1h8y h LYS 189 Cb 0.33 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1h8y h LYS 189 CO -0.00 0.76 -0.72 1.49 -0.57 0.00 0.00 179.45 180.41 1h8y h GLU 190 N 1.18 0.06 0.00 3.15 4.81 -0.88 -2.87 114.58 120.02 1h8y h GLU 190 Ca 0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1h8y h GLU 190 Cb 0.17 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1h8y h GLU 190 CO -0.17 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 1h8y h ALA 191 N 1.24 1.00 -0.08 2.92 0.00 -0.86 -2.68 119.26 120.79 1h8y h ALA 191 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h8y h ALA 191 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1h8y h ALA 191 CO 0.10 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1h8y n LEU 192 N -2.95 1.79 -4.69 0.00 4.77 -0.92 -4.68 117.00 110.32 1h8y n LEU 192 Ca -0.00 -0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 1h8y n LEU 192 Cb 0.22 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1h8y n LEU 192 CO 0.24 0.32 1.26 -0.69 -1.33 0.00 0.00 177.39 177.19 1h8y s VAL 193 N -1.92 3.11 0.00 4.08 1.01 -1.01 -0.79 120.40 124.88 1h8y s VAL 193 Ca 0.35 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1h8y s VAL 193 Cb 0.20 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1h8y s VAL 193 CO 0.31 0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.77 1h8y n THR 194 N 4.56 0.00 -3.72 3.92 -2.24 0.78 -4.90 114.28 112.68 1h8y n THR 194 Ca 0.15 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1h8y n THR 194 Cb 0.41 0.52 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 1h8y n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1h8y s GLU 195 N -1.69 0.22 0.00 -0.78 2.12 -1.09 -4.99 118.70 112.50 1h8y s GLU 195 Ca 0.00 0.56 0.07 0.00 0.36 0.00 0.00 54.97 55.95 1h8y s GLU 195 Cb 0.00 -0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 1h8y s GLU 195 CO 0.00 -0.17 -0.21 0.00 -0.54 0.00 0.00 175.26 174.34 1h8y s ALA 196 N 1.31 1.75 0.16 6.30 0.00 -1.26 0.08 121.76 130.09 1h8y s ALA 196 Ca -0.09 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1h8y s ALA 196 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1h8y s ALA 196 CO -0.09 0.42 0.34 0.00 0.00 0.00 0.00 175.76 176.43 1h8y s ALA 197 N -0.59 -0.36 0.38 0.00 0.00 -0.13 -5.01 121.76 116.06 1h8y s ALA 197 Ca 0.08 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1h8y s ALA 197 Cb -0.08 0.78 0.84 0.00 0.00 0.00 0.00 23.12 24.66 1h8y s ALA 197 CO 0.00 -0.66 1.95 -1.35 0.00 0.00 0.00 175.76 175.70 1h8y h PRO 198 N 2.47 0.62 -0.00 0.00 0.11 -2.02 -2.67 132.00 130.50 1h8y h PRO 198 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1h8y h PRO 198 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1h8y h PRO 198 CO 0.47 0.41 -0.71 -0.85 -0.21 0.00 0.00 178.00 177.11 1h8y n GLU 199 N -4.49 0.28 -3.50 1.05 0.28 -1.26 -4.98 120.64 108.02 1h8y n GLU 199 Ca 0.11 -0.21 -0.12 0.00 -0.16 0.00 0.00 57.16 56.78 1h8y n GLU 199 Cb 0.31 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 1h8y n GLU 199 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1h8y s TYR 200 N -2.86 -0.45 -0.01 -1.84 -0.85 -1.01 -1.81 117.35 108.52 1h8y s TYR 200 Ca 0.12 0.29 0.06 0.00 -0.52 0.00 0.00 57.07 57.02 1h8y s TYR 200 Cb 0.17 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 1h8y s TYR 200 CO 0.74 -0.77 -0.20 -0.51 -1.52 0.00 0.00 175.55 173.30 1h8y s LEU 201 N -2.56 2.45 -0.15 -3.49 1.02 -0.54 -0.95 118.68 114.46 1h8y s LEU 201 Ca -0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.75 1h8y s LEU 201 Cb -0.00 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.72 1h8y s LEU 201 CO -0.10 0.31 -0.05 -0.69 0.02 0.00 0.00 176.35 175.84 1h8y s VAL 202 N -0.75 3.77 -0.17 -1.59 1.01 0.11 -1.46 120.40 121.32 1h8y s VAL 202 Ca 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1h8y s VAL 202 Cb -0.10 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1h8y s VAL 202 CO 0.01 0.50 -0.09 -1.00 0.00 0.00 0.00 175.10 174.52 1h8y s HIS 203 N 0.39 2.89 0.30 5.22 3.76 -0.56 -0.16 115.29 127.13 1h8y s HIS 203 Ca -0.05 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.98 1h8y s HIS 203 Cb -0.14 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.60 1h8y s HIS 203 CO 0.03 -0.35 0.54 -1.54 -0.85 0.00 0.00 174.74 172.57 1h8y s SER 204 N 0.82 0.20 -0.27 1.40 1.04 0.03 -1.61 113.70 115.32 1h8y s SER 204 Ca -0.03 -1.10 -0.12 0.00 0.48 0.00 0.00 55.95 55.18 1h8y s SER 204 Cb -0.15 0.66 0.10 0.00 0.10 0.00 0.00 66.02 66.73 1h8y s SER 204 CO 0.01 -1.29 0.62 -0.75 0.98 0.00 0.00 173.24 172.81 1h8y s LYS 205 N -3.47 0.59 0.56 4.02 2.47 -0.40 -4.82 119.74 118.69 1h8y s LYS 205 Ca 0.23 1.25 -0.06 0.00 -1.56 0.00 0.00 55.97 55.83 1h8y s LYS 205 Cb -0.02 0.42 -0.01 0.00 -1.46 0.00 0.00 37.83 36.77 1h8y s LYS 205 CO 0.12 -0.18 0.88 0.95 0.16 0.00 0.00 175.35 177.28 1h8y s THR 206 N 2.19 4.12 -0.03 3.43 -4.23 -1.26 -2.40 115.64 117.45 1h8y s THR 206 Ca -0.08 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 1h8y s THR 206 Cb -0.09 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.17 1h8y s THR 206 CO -0.18 -0.64 0.38 -0.83 -0.54 0.00 0.00 174.62 172.81 1h8y s GLY 207 N -4.23 -0.24 -0.30 3.99 0.00 -1.10 -3.74 107.32 101.70 1h8y s GLY 207 Ca 0.52 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1h8y s GLY 207 CO 0.46 0.34 0.69 -0.12 0.00 0.00 0.00 173.10 174.47 1h8y s PHE 208 N -1.14 -1.46 0.37 1.90 5.36 -1.26 -0.81 117.98 120.94 1h8y s PHE 208 Ca -0.12 1.29 0.19 0.00 -0.96 0.00 0.00 56.93 57.34 1h8y s PHE 208 Cb -0.04 0.42 1.03 0.00 -0.34 0.00 0.00 43.02 44.08 1h8y s PHE 208 CO 0.05 -0.82 1.93 0.66 -1.46 0.00 0.00 175.22 175.58 1h8y h SER 209 N 7.95 0.00 -4.41 6.13 4.64 -1.61 -3.43 113.55 122.82 1h8y h SER 209 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1h8y h SER 209 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1h8y h SER 209 CO 0.16 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 1h8y n GLY 210 N -0.53 3.60 0.01 -0.77 0.00 -1.26 -4.94 105.19 101.30 1h8y n GLY 210 Ca -0.02 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1h8y n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1h8y n VAL 211 N -1.59 0.00 0.00 1.61 0.24 -1.26 -3.50 118.33 113.83 1h8y n VAL 211 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1h8y n VAL 211 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1h8y n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h8y n GLY 212 N 1.40 3.69 3.29 7.63 0.00 -1.26 -2.73 105.19 117.21 1h8y n GLY 212 Ca 0.10 0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1h8y n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h8y s THR 213 N 0.00 0.07 0.46 2.61 -4.23 0.82 -4.88 115.64 110.49 1h8y s THR 213 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1h8y s THR 213 Cb 0.00 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.56 1h8y s THR 213 CO 0.00 0.00 2.03 -0.33 -0.54 0.00 0.00 174.62 175.78 1h8y h GLU 214 N 2.19 0.00 0.00 3.99 5.08 -1.91 -2.39 114.58 121.53 1h8y h GLU 214 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1h8y h GLU 214 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1h8y h GLU 214 CO 0.42 0.14 -1.84 -1.13 -1.00 0.00 0.00 179.01 175.59 1h8y n SER 215 N -4.37 0.22 -3.31 1.42 3.41 -1.26 -4.71 113.62 105.02 1h8y n SER 215 Ca -0.03 -0.14 -0.25 0.00 -0.26 0.00 0.00 58.87 58.20 1h8y n SER 215 Cb 0.21 1.85 -0.08 0.00 -0.26 0.00 0.00 64.21 65.92 1h8y n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1h8y n ASN 216 N -2.14 0.73 -4.75 4.04 4.05 -0.93 -5.12 115.26 111.13 1h8y n ASN 216 Ca -0.03 -2.77 -0.32 0.00 0.45 0.00 0.00 54.58 51.92 1h8y n ASN 216 Cb 0.53 -0.63 0.09 0.00 1.23 0.00 0.00 39.78 40.99 1h8y n ASN 216 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 1h8y s PRO 217 N -1.13 2.27 0.57 1.20 0.02 -1.01 -0.13 135.00 136.79 1h8y s PRO 217 Ca 0.35 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.61 1h8y s PRO 217 Cb 0.13 -1.89 0.13 0.00 0.02 0.00 0.00 34.50 32.89 1h8y s PRO 217 CO -0.12 -1.65 0.77 0.41 -0.33 0.00 0.00 177.00 176.08 1h8y n GLY 218 N -0.71 -1.05 3.11 0.52 0.00 0.23 -4.74 105.19 102.55 1h8y n GLY 218 Ca 0.10 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 1h8y n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h8y s VAL 219 N -2.60 1.28 0.04 1.61 0.11 -1.26 -0.35 120.40 119.24 1h8y s VAL 219 Ca 0.44 -0.64 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 1h8y s VAL 219 Cb -0.01 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1h8y s VAL 219 CO 0.31 0.37 -0.13 0.00 -3.33 0.00 0.00 175.10 172.32 1h8y s ALA 220 N 0.05 2.78 0.30 1.54 0.00 -0.35 -1.43 121.76 124.64 1h8y s ALA 220 Ca -0.03 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1h8y s ALA 220 Cb -0.11 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.08 1h8y s ALA 220 CO 0.02 0.60 0.00 -1.58 0.00 0.00 0.00 175.76 174.80 1h8y s TRP 221 N -1.01 1.91 -0.30 0.00 0.52 0.01 -1.12 118.94 118.97 1h8y s TRP 221 Ca 0.17 -0.85 -0.02 0.00 0.02 0.00 0.00 56.10 55.42 1h8y s TRP 221 Cb -0.11 -1.18 0.19 0.00 -1.15 0.00 0.00 33.47 31.22 1h8y s TRP 221 CO 0.08 0.12 0.68 -0.46 0.02 0.00 0.00 176.95 177.39 1h8y s TRP 222 N -3.19 -1.46 0.18 -1.98 -0.00 -0.84 -2.71 118.94 108.95 1h8y s TRP 222 Ca 0.33 1.35 0.10 0.00 -0.00 0.00 0.00 56.10 57.87 1h8y s TRP 222 Cb 0.06 0.44 -0.04 0.00 -0.00 0.00 0.00 33.47 33.93 1h8y s TRP 222 CO 0.13 -0.81 -0.20 0.14 -0.00 0.00 0.00 176.95 176.21 1h8y s VAL 223 N 2.87 2.03 -3.10 5.86 -7.23 -1.01 -0.86 120.40 118.96 1h8y s VAL 223 Ca 0.16 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1h8y s VAL 223 Cb -0.13 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1h8y s VAL 223 CO -0.21 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1h8y n GLY 224 N 0.22 -0.52 3.45 2.32 0.00 -0.36 -1.27 105.19 109.02 1h8y n GLY 224 Ca -0.12 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.85 1h8y n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h8y s TRP 225 N -3.07 -0.54 -0.15 1.61 -2.14 -0.63 -0.34 118.94 113.68 1h8y s TRP 225 Ca 0.00 0.78 0.02 0.00 2.66 0.00 0.00 56.10 59.56 1h8y s TRP 225 Cb 0.00 0.38 0.01 0.00 -3.10 0.00 0.00 33.47 30.77 1h8y s TRP 225 CO 0.00 -0.63 -0.21 0.08 -2.66 0.00 0.00 176.95 173.53 1h8y s VAL 226 N -1.87 2.03 -0.39 -0.66 1.01 0.13 -1.50 120.40 119.14 1h8y s VAL 226 Ca -0.08 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1h8y s VAL 226 Cb -0.01 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1h8y s VAL 226 CO 0.03 0.54 0.35 -1.61 0.00 0.00 0.00 175.10 174.42 1h8y s GLU 227 N 0.91 3.17 -0.34 2.72 2.02 -0.53 -0.68 118.70 125.97 1h8y s GLU 227 Ca -0.05 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.18 1h8y s GLU 227 Cb -0.15 -3.93 0.10 0.00 0.10 0.00 0.00 34.13 30.26 1h8y s GLU 227 CO -0.04 -0.71 0.09 0.21 0.02 0.00 0.00 175.26 174.82 1h8y s LYS 228 N 1.91 1.18 6.99 1.61 2.20 -0.58 -1.47 119.74 131.57 1h8y s LYS 228 Ca 0.09 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1h8y s LYS 228 Cb -0.18 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1h8y s LYS 228 CO 0.12 -0.98 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1h8y n GLY 229 N 4.40 1.77 1.04 5.54 0.00 -0.75 -1.06 105.19 116.14 1h8y n GLY 229 Ca 0.02 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1h8y n GLY 229 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h8y n THR 230 N 0.00 0.43 -3.63 2.61 -2.24 -1.26 -4.90 114.28 105.29 1h8y n THR 230 Ca 0.00 -0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 60.90 1h8y n THR 230 Cb 0.00 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1h8y n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1h8y s GLU 231 N -1.57 3.42 -0.02 -0.78 2.56 -0.23 -5.12 118.70 116.96 1h8y s GLU 231 Ca 0.37 -0.58 0.03 0.00 0.00 0.00 0.00 54.97 54.80 1h8y s GLU 231 Cb 0.22 -2.77 -0.00 0.00 2.00 0.00 0.00 34.13 33.57 1h8y s GLU 231 CO 0.31 0.25 -0.12 0.54 -0.56 0.00 0.00 175.26 175.68 1h8y s VAL 232 N -2.17 1.00 -0.11 3.70 0.11 -1.26 -1.53 120.40 120.14 1h8y s VAL 232 Ca 0.38 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1h8y s VAL 232 Cb -0.09 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 1h8y s VAL 232 CO 0.33 0.30 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.91 1h8y s TYR 233 N 0.00 2.11 0.22 1.54 1.51 0.14 -0.21 117.35 122.66 1h8y s TYR 233 Ca -0.01 -0.99 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 1h8y s TYR 233 Cb -0.08 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1h8y s TYR 233 CO 0.01 -0.49 0.45 -0.06 -1.11 0.00 0.00 175.55 174.35 1h8y s PHE 234 N 0.90 3.47 -0.01 2.71 0.08 -0.27 0.17 117.98 125.03 1h8y s PHE 234 Ca -0.08 0.54 -0.16 0.00 0.12 0.00 0.00 56.93 57.35 1h8y s PHE 234 Cb -0.15 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1h8y s PHE 234 CO -0.01 0.32 0.33 -0.59 -0.10 0.00 0.00 175.22 175.18 1h8y s PHE 235 N -1.88 -0.20 -0.13 0.36 -0.12 0.53 -1.15 117.98 115.40 1h8y s PHE 235 Ca 0.42 0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 57.51 1h8y s PHE 235 Cb -0.11 0.12 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1h8y s PHE 235 CO 0.27 -0.42 0.30 0.00 -0.05 0.00 0.00 175.22 175.32 1h8y s ALA 236 N -1.52 -0.72 -0.06 1.99 0.00 -0.56 -1.22 121.76 119.67 1h8y s ALA 236 Ca -0.12 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1h8y s ALA 236 Cb -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1h8y s ALA 236 CO 0.03 -0.31 -0.11 0.12 0.00 0.00 0.00 175.76 175.49 1h8y s PHE 237 N 1.55 1.31 0.04 0.00 2.19 -0.04 -0.44 117.98 122.59 1h8y s PHE 237 Ca -0.07 -0.45 0.00 0.00 0.33 0.00 0.00 56.93 56.73 1h8y s PHE 237 Cb -0.10 -0.97 -0.03 0.00 -1.31 0.00 0.00 43.02 40.60 1h8y s PHE 237 CO -0.10 -0.24 -0.04 0.54 1.83 0.00 0.00 175.22 177.21 1h8y s ASN 238 N 0.63 0.54 0.02 6.13 2.20 -0.47 -1.98 114.94 122.01 1h8y s ASN 238 Ca -0.13 -0.72 -0.13 0.00 -0.94 0.00 0.00 52.86 50.94 1h8y s ASN 238 Cb -0.15 0.12 0.02 0.00 -2.00 0.00 0.00 41.25 39.24 1h8y s ASN 238 CO 0.03 -0.39 0.27 0.00 -2.94 0.00 0.00 177.10 174.07 1h8y s MET 239 N -2.53 0.72 0.33 3.55 0.23 -0.27 -1.36 119.30 119.97 1h8y s MET 239 Ca -0.04 -0.42 -0.27 0.00 -1.03 0.00 0.00 55.69 53.92 1h8y s MET 239 Cb -0.03 0.31 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 1h8y s MET 239 CO -0.04 -0.21 1.10 -0.51 -2.03 0.00 0.00 175.02 173.33 1h8y s ASP 240 N -1.79 7.02 -0.13 -1.18 1.01 -0.78 -1.21 116.67 119.61 1h8y s ASP 240 Ca -0.08 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.33 1h8y s ASP 240 Cb -0.03 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.34 1h8y s ASP 240 CO -0.01 -0.31 0.32 -0.51 0.21 0.00 0.00 175.17 174.87 1h8y s ILE 241 N -1.32 -0.03 -0.15 0.77 2.07 0.52 -4.74 121.20 118.32 1h8y s ILE 241 Ca 0.50 0.11 0.06 0.00 -1.41 0.00 0.00 60.65 59.91 1h8y s ILE 241 Cb -0.29 -0.48 0.11 0.00 0.13 0.00 0.00 42.46 41.93 1h8y s ILE 241 CO 0.37 0.05 1.08 -0.90 -1.91 0.00 0.00 174.94 173.63 1h8y n ASP 242 N 4.14 2.26 -3.67 4.50 5.68 -1.26 -0.60 116.55 127.59 1h8y n ASP 242 Ca -0.24 -2.25 -0.09 0.00 -0.50 0.00 0.00 54.79 51.72 1h8y n ASP 242 Cb 0.54 -0.13 -0.10 0.00 -1.14 0.00 0.00 41.12 40.29 1h8y n ASP 242 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1h8y s ASN 243 N -1.40 -0.46 0.49 -1.12 3.84 -1.26 -4.87 114.94 110.16 1h8y s ASN 243 Ca 0.11 1.02 0.26 0.00 0.21 0.00 0.00 52.86 54.46 1h8y s ASN 243 Cb 0.08 1.16 1.34 0.00 -0.55 0.00 0.00 41.25 43.28 1h8y s ASN 243 CO 0.03 -0.22 1.88 -0.33 -2.79 0.00 0.00 177.10 175.67 1h8y h GLU 244 N 7.64 0.14 0.00 0.43 5.08 -1.97 -0.56 114.58 125.33 1h8y h GLU 244 Ca -0.26 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1h8y h GLU 244 Cb 1.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1h8y h GLU 244 CO 0.20 0.09 0.00 -2.95 -1.00 0.00 0.00 179.01 175.35 1h8y h ASN 245 N 0.14 0.00 0.14 1.42 7.08 -2.03 -1.05 115.58 121.28 1h8y h ASN 245 Ca 0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.66 1h8y h ASN 245 Cb 1.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.74 1h8y h ASN 245 CO -0.07 0.00 -0.03 0.29 -2.08 0.00 0.00 177.43 175.54 1h8y n LYS 246 N -2.98 1.04 -0.25 4.14 4.76 -0.22 -4.45 118.16 120.21 1h8y n LYS 246 Ca -0.02 -0.31 0.10 0.00 -2.87 0.00 0.00 58.31 55.21 1h8y n LYS 246 Cb 0.11 -1.49 0.36 0.00 -1.84 0.00 0.00 35.03 32.16 1h8y n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1h8y h LEU 247 N 0.75 0.68 -2.45 -0.35 5.85 -1.35 -1.36 115.31 117.07 1h8y h LEU 247 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1h8y h LEU 247 Cb 0.25 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1h8y h LEU 247 CO 0.00 0.38 0.00 -0.65 -0.34 0.00 0.00 178.44 177.84 1h8y h PRO 248 N 0.74 0.00 0.00 5.25 0.11 -1.82 -1.81 132.00 134.46 1h8y h PRO 248 Ca 0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 1h8y h PRO 248 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1h8y h PRO 248 CO -0.17 0.00 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.26 1h8y h LEU 249 N 0.00 0.00 -2.53 2.35 3.38 -1.58 -2.26 115.31 114.67 1h8y h LEU 249 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1h8y h LEU 249 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1h8y h LEU 249 CO -0.00 0.29 0.07 -0.09 0.09 0.00 0.00 178.44 178.81 1h8y h ARG 250 N 0.00 0.00 0.00 1.13 1.12 -1.48 0.02 114.38 115.17 1h8y h ARG 250 Ca -0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.60 1h8y h ARG 250 Cb 0.55 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.47 1h8y h ARG 250 CO 0.04 0.00 -2.00 1.63 -3.11 0.00 0.00 179.97 176.53 1h8y n LYS 251 N -3.54 1.43 0.08 0.20 5.02 -0.99 -4.55 118.16 115.81 1h8y n LYS 251 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1h8y n LYS 251 Cb 0.16 -1.37 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 1h8y n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1h8y h SER 252 N 0.00 0.21 0.25 4.39 4.64 -0.87 -0.03 113.55 122.14 1h8y h SER 252 Ca -0.39 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 60.68 1h8y h SER 252 Cb 1.84 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1h8y h SER 252 CO 0.01 1.18 -0.12 0.40 -0.87 0.00 0.00 176.83 177.43 1h8y h ILE 253 N 0.04 0.80 -0.83 0.95 2.04 -1.27 -0.18 117.51 119.05 1h8y h ILE 253 Ca -0.09 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1h8y h ILE 253 Cb 1.88 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 1h8y h ILE 253 CO 0.16 0.08 0.48 -0.65 0.00 0.00 0.00 178.15 178.22 1h8y h PRO 254 N -0.54 1.14 -0.40 2.37 0.11 -1.76 -0.60 132.00 132.32 1h8y h PRO 254 Ca -0.03 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1h8y h PRO 254 Cb 0.40 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1h8y h PRO 254 CO 0.06 0.82 0.25 1.15 -0.21 0.00 0.00 178.00 180.07 1h8y h THR 255 N 1.14 1.12 -0.53 -1.15 2.02 -1.00 0.32 112.91 114.83 1h8y h THR 255 Ca 0.29 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.26 1h8y h THR 255 Cb -0.01 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 1h8y h THR 255 CO -0.05 0.12 0.31 0.11 0.37 0.00 0.00 175.52 176.37 1h8y h LYS 256 N 0.53 0.59 -0.36 6.66 1.57 -0.55 0.18 116.57 125.19 1h8y h LYS 256 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1h8y h LYS 256 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1h8y h LYS 256 CO -0.03 0.39 0.18 0.82 -0.57 0.00 0.00 179.45 180.24 1h8y h ILE 257 N 0.60 1.16 -0.30 1.86 2.04 -0.64 -1.79 117.51 120.44 1h8y h ILE 257 Ca 0.22 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1h8y h ILE 257 Cb 0.05 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1h8y h ILE 257 CO -0.11 0.16 -0.22 0.24 0.00 0.00 0.00 178.15 178.22 1h8y h MET 258 N 0.45 0.57 -0.64 2.37 2.86 -0.09 -2.38 114.93 118.08 1h8y h MET 258 Ca 0.12 -0.21 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1h8y h MET 258 Cb 0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1h8y h MET 258 CO -0.02 0.76 0.10 0.00 1.06 0.00 0.00 176.91 178.81 1h8y h ALA 259 N 1.25 0.97 0.00 6.32 0.00 -0.43 -1.20 119.26 126.18 1h8y h ALA 259 Ca 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1h8y h ALA 259 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1h8y h ALA 259 CO 0.05 0.65 -0.19 0.66 0.00 0.00 0.00 179.25 180.42 1h8y h SER 260 N 0.99 0.00 0.04 0.00 4.64 -0.89 -0.57 113.55 117.75 1h8y h SER 260 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1h8y h SER 260 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1h8y h SER 260 CO 0.01 0.19 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.52 1h8y n GLU 261 N -3.74 1.29 -1.03 4.77 -0.58 -0.92 -4.93 120.64 115.51 1h8y n GLU 261 Ca -0.02 -0.52 -0.01 0.00 -0.42 0.00 0.00 57.16 56.20 1h8y n GLU 261 Cb 0.30 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1h8y n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h8y n GLY 262 N 1.13 0.47 0.09 0.62 0.00 -0.22 -4.95 105.19 102.33 1h8y n GLY 262 Ca 0.20 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1h8y n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h8y h ILE 263 N 0.00 1.48 -2.81 -0.61 2.04 -1.43 -3.47 117.51 112.71 1h8y h ILE 263 Ca -0.02 -2.36 -0.63 0.00 1.00 0.00 0.00 64.86 62.84 1h8y h ILE 263 Cb 0.08 3.06 -0.16 0.00 -0.74 0.00 0.00 36.82 39.05 1h8y h ILE 263 CO 0.03 0.59 -0.79 0.27 0.00 0.00 0.00 178.15 178.25 1h8y s ILE 264 N -2.32 2.49 -2.24 -0.67 -4.36 -1.24 -4.96 121.20 107.89 1h8y s ILE 264 Ca -0.20 -2.13 0.27 0.00 -0.26 0.00 0.00 60.65 58.33 1h8y s ILE 264 Cb 0.00 -2.24 0.39 0.00 1.25 0.00 0.00 42.46 41.86 1h8y s ILE 264 CO 0.71 -0.22 1.61 0.61 0.24 0.00 0.00 174.94 177.88 1h8y n GLY 265 N -0.09 -0.14 3.67 6.27 0.00 -1.26 -4.32 105.19 109.30 1h8y n GLY 265 Ca -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1h8y n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93