#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn s ARG 12 N 0.00 3.06 -0.20 1.97 3.52 -1.26 -5.13 118.95 120.91 3knn s ARG 12 Ca 0.00 -0.99 -0.07 0.00 -0.13 0.00 0.00 55.73 54.54 3knn s ARG 12 Cb 0.00 -2.78 0.09 0.00 -1.56 0.00 0.00 34.95 30.70 3knn s ARG 12 CO 0.00 -0.04 0.42 -0.65 -0.81 0.00 0.00 175.30 174.23 3knn s GLN 13 N -4.25 0.33 -0.10 5.12 -0.21 -1.26 -4.78 119.66 114.50 3knn s GLN 13 Ca 0.47 1.03 -0.05 0.00 0.02 0.00 0.00 55.36 56.84 3knn s GLN 13 Cb -0.10 0.33 0.05 0.00 1.00 0.00 0.00 33.01 34.29 3knn s GLN 13 CO 0.32 -0.25 0.23 0.14 -2.12 0.00 0.00 175.29 173.61 3knn s VAL 14 N 2.56 -0.18 0.12 1.09 -7.23 -1.21 -5.02 120.40 110.53 3knn s VAL 14 Ca -0.02 0.22 -0.18 0.00 -1.81 0.00 0.00 61.98 60.18 3knn s VAL 14 Cb -0.12 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 3knn s VAL 14 CO -0.13 0.09 1.70 0.00 -0.31 0.00 0.00 175.10 176.45 3knn h ALA 15 N 7.66 0.37 -1.53 1.32 0.00 -1.83 -3.41 119.26 121.84 3knn h ALA 15 Ca -0.30 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 3knn h ALA 15 Cb 1.14 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 3knn h ALA 15 CO 0.28 -0.08 0.87 0.45 0.00 0.00 0.00 179.25 180.77 3knn s SER 16 N -5.61 6.25 0.00 0.00 0.15 -1.26 -0.63 113.70 112.60 3knn s SER 16 Ca -0.13 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3knn s SER 16 Cb 0.09 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3knn s SER 16 CO 0.72 -1.60 0.00 0.61 1.20 0.00 0.00 173.24 174.17 3knn n GLY 17 N 5.26 6.68 3.30 9.45 0.00 -0.69 -4.13 105.19 125.06 3knn n GLY 17 Ca 0.03 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 3knn n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knn s ARG 18 N 0.12 1.23 -0.23 1.61 3.52 -0.71 -3.41 118.95 121.09 3knn s ARG 18 Ca 0.00 -1.58 -0.03 0.00 -0.13 0.00 0.00 55.73 53.99 3knn s ARG 18 Cb 0.00 -0.69 0.10 0.00 -1.56 0.00 0.00 34.95 32.79 3knn s ARG 18 CO 0.00 0.01 0.19 0.00 -0.81 0.00 0.00 175.30 174.69 3knn s ALA 19 N -3.32 -0.01 -0.19 6.12 0.00 -1.04 -1.43 121.76 121.90 3knn s ALA 19 Ca 0.23 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 3knn s ALA 19 Cb 0.04 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3knn s ALA 19 CO 0.05 -1.39 0.16 0.71 0.00 0.00 0.00 175.76 175.29 3knn s TYR 20 N 2.25 3.43 -0.44 0.00 1.51 0.03 0.62 117.35 124.76 3knn s TYR 20 Ca 0.07 0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 56.47 3knn s TYR 20 Cb -0.15 -2.19 0.11 0.00 -0.11 0.00 0.00 41.96 39.62 3knn s TYR 20 CO -0.21 0.30 0.26 0.42 -1.11 0.00 0.00 175.55 175.21 3knn s ILE 21 N 0.33 3.62 -0.52 2.71 1.09 0.31 -1.25 121.20 127.48 3knn s ILE 21 Ca 0.10 -1.99 -0.16 0.00 -1.10 0.00 0.00 60.65 57.50 3knn s ILE 21 Cb -0.11 -3.44 0.10 0.00 -1.06 0.00 0.00 42.46 37.95 3knn s ILE 21 CO -0.01 -0.73 0.50 -2.28 -0.10 0.00 0.00 174.94 172.33 3knn s HIS 22 N 1.19 3.21 -0.10 3.97 2.46 -0.27 0.66 115.29 126.41 3knn s HIS 22 Ca 0.08 -1.09 0.04 0.00 0.47 0.00 0.00 55.06 54.55 3knn s HIS 22 Cb -0.24 -3.61 -0.01 0.00 -0.13 0.00 0.00 32.58 28.60 3knn s HIS 22 CO -0.03 -0.98 -0.22 0.00 -2.47 0.00 0.00 174.74 171.04 3knn s ALA 23 N 1.81 2.28 0.00 1.58 0.00 -1.20 -0.77 121.76 125.45 3knn s ALA 23 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3knn s ALA 23 Cb -0.27 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3knn s ALA 23 CO 0.05 0.32 0.00 -1.13 0.00 0.00 0.00 175.76 175.00 3knn n SER 24 N 3.36 1.52 -0.37 0.00 3.41 -0.79 -4.20 113.62 116.55 3knn n SER 24 Ca -0.18 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.52 3knn n SER 24 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3knn n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3knn n TYR 25 N 0.00 0.00 0.27 7.33 4.02 -1.26 -3.55 117.16 123.97 3knn n TYR 25 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 3knn n TYR 25 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 3knn n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3knn n ASN 26 N -0.32 0.76 -3.67 7.72 3.02 -1.26 -4.67 115.26 116.84 3knn n ASN 26 Ca 0.07 -0.30 0.02 0.00 -0.03 0.00 0.00 54.58 54.35 3knn n ASN 26 Cb 0.40 1.58 0.00 0.00 -0.61 0.00 0.00 39.78 41.16 3knn n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3knn s ASN 27 N -3.70 -0.03 -0.23 6.41 3.84 -1.26 -3.74 114.94 116.23 3knn s ASN 27 Ca -0.02 -0.15 -0.04 0.00 0.21 0.00 0.00 52.86 52.86 3knn s ASN 27 Cb 0.13 0.14 0.08 0.00 -0.55 0.00 0.00 41.25 41.05 3knn s ASN 27 CO 0.77 -0.28 0.09 -0.89 -2.79 0.00 0.00 177.10 174.01 3knn s THR 28 N -2.25 0.17 -0.30 -5.21 2.01 -1.22 -1.88 115.64 106.95 3knn s THR 28 Ca 0.19 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 3knn s THR 28 Cb 0.03 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 3knn s THR 28 CO -0.03 -0.47 0.20 -0.51 -0.69 0.00 0.00 174.62 173.13 3knn s ILE 29 N 2.00 5.21 -0.13 1.82 1.10 0.05 -2.45 121.20 128.80 3knn s ILE 29 Ca 0.05 -0.03 -0.03 0.00 -0.51 0.00 0.00 60.65 60.13 3knn s ILE 29 Cb -0.16 -3.57 -0.03 0.00 0.15 0.00 0.00 42.46 38.85 3knn s ILE 29 CO -0.20 0.14 -0.02 0.68 -2.11 0.00 0.00 174.94 173.44 3knn s VAL 30 N 1.73 4.12 -0.04 4.00 -7.23 0.30 -1.11 120.40 122.16 3knn s VAL 30 Ca 0.06 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 3knn s VAL 30 Cb -0.17 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.03 3knn s VAL 30 CO 0.10 0.53 0.05 0.28 -0.31 0.00 0.00 175.10 175.76 3knn s THR 31 N -0.14 -0.03 -0.19 5.32 -1.32 -0.38 -0.63 115.64 118.27 3knn s THR 31 Ca 0.04 0.37 -0.10 0.00 -1.21 0.00 0.00 61.69 60.79 3knn s THR 31 Cb -0.13 -0.21 -0.05 0.00 -1.51 0.00 0.00 72.50 70.61 3knn s THR 31 CO 0.02 0.19 0.14 0.27 -2.21 0.00 0.00 174.62 173.03 3knn s ILE 32 N 2.08 5.42 0.00 5.08 -4.36 -0.65 -0.79 121.20 127.99 3knn s ILE 32 Ca 0.04 0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 3knn s ILE 32 Cb -0.12 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.12 3knn s ILE 32 CO -0.03 0.46 0.00 0.35 0.24 0.00 0.00 174.94 175.96 3knn n THR 33 N 3.31 0.00 -2.16 8.37 -2.24 -0.51 -1.02 114.28 120.02 3knn n THR 33 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3knn n THR 33 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3knn n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3knn n ASP 34 N 0.00 0.57 -0.10 3.42 3.85 -1.08 -1.74 116.55 121.47 3knn n ASP 34 Ca 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 54.79 54.10 3knn n ASP 34 Cb 0.00 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 39.83 3knn n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3knn n PRO 35 N 0.00 1.13 0.00 0.11 -0.02 -1.26 -3.06 135.00 131.90 3knn n PRO 35 Ca 0.00 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3knn n PRO 35 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3knn n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knn n ASP 36 N -0.36 0.82 0.00 2.55 10.43 -1.26 -4.98 116.55 123.76 3knn n ASP 36 Ca 0.03 -1.03 0.00 0.00 2.57 0.00 0.00 54.79 56.36 3knn n ASP 36 Cb 0.05 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.01 3knn n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3knn n GLY 37 N -0.02 0.44 3.54 0.44 0.00 -1.17 -4.99 105.19 103.43 3knn n GLY 37 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3knn n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3knn s ASN 38 N -2.63 6.40 -0.60 1.61 0.01 -1.26 -4.78 114.94 113.68 3knn s ASN 38 Ca 0.00 -0.17 -0.33 0.00 -0.71 0.00 0.00 52.86 51.65 3knn s ASN 38 Cb 0.00 -2.43 -0.17 0.00 0.41 0.00 0.00 41.25 39.05 3knn s ASN 38 CO 0.00 -1.13 2.03 -2.65 -1.51 0.00 0.00 177.10 173.84 3knn n PRO 39 N 7.28 0.00 0.03 -0.60 -0.02 -1.26 -2.64 135.00 137.79 3knn n PRO 39 Ca 0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.30 3knn n PRO 39 Cb 0.48 -1.29 -0.14 0.00 -0.02 0.00 0.00 33.50 32.53 3knn n PRO 39 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3knn h ILE 40 N 6.36 1.15 -1.71 4.25 1.08 -1.36 -3.48 117.51 123.79 3knn h ILE 40 Ca -0.07 -2.46 0.24 0.00 -0.39 0.00 0.00 64.86 62.18 3knn h ILE 40 Cb 1.18 2.85 -0.15 0.00 -3.07 0.00 0.00 36.82 37.64 3knn h ILE 40 CO 1.04 0.73 0.72 0.28 -0.69 0.00 0.00 178.15 180.23 3knn s THR 41 N -2.48 0.00 0.17 -0.27 -1.32 -1.06 -5.06 115.64 105.62 3knn s THR 41 Ca -0.17 -0.16 -0.14 0.00 -1.21 0.00 0.00 61.69 60.01 3knn s THR 41 Cb 0.04 -1.45 0.01 0.00 -1.51 0.00 0.00 72.50 69.59 3knn s THR 41 CO 0.80 0.00 0.42 -1.66 -2.21 0.00 0.00 174.62 171.97 3knn s TRP 42 N -2.65 0.06 0.11 9.09 1.48 -1.26 -1.63 118.94 124.14 3knn s TRP 42 Ca 0.11 -0.42 -0.19 0.00 -1.06 0.00 0.00 56.10 54.54 3knn s TRP 42 Cb 0.01 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.57 3knn s TRP 42 CO -0.04 -0.81 0.48 0.45 -4.06 0.00 0.00 176.95 172.96 3knn s SER 43 N -2.90 -0.36 0.00 -2.66 0.15 0.19 -4.88 113.70 103.24 3knn s SER 43 Ca 0.11 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3knn s SER 43 Cb 0.01 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3knn s SER 43 CO -0.03 -0.83 0.00 -1.54 1.20 0.00 0.00 173.24 172.04 3knn n SER 44 N -0.06 0.00 0.39 5.45 3.41 -1.26 0.11 113.62 121.66 3knn n SER 44 Ca -0.17 -0.46 -0.16 0.00 -0.26 0.00 0.00 58.87 57.83 3knn n SER 44 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3knn n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3knn h GLY 45 N 0.00 -1.06 1.74 5.00 0.00 -1.74 -3.08 103.07 103.93 3knn h GLY 45 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.76 3knn h GLY 45 CO 0.00 -0.39 0.10 -1.33 0.00 0.00 0.00 176.54 174.92 3knn h GLY 46 N -1.15 0.00 1.64 4.60 0.00 -1.90 0.22 103.07 106.47 3knn h GLY 46 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.26 3knn h GLY 46 CO 0.17 0.00 0.15 -2.08 0.00 0.00 0.00 176.54 174.78 3knn h VAL 47 N 0.00 0.45 -2.63 4.60 2.07 -1.79 -3.39 116.25 115.57 3knn h VAL 47 Ca 0.06 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.13 3knn h VAL 47 Cb 0.25 0.88 0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3knn h VAL 47 CO -0.00 0.00 0.04 -0.63 0.02 0.00 0.00 177.57 177.00 3knn s ILE 48 N -4.60 2.49 0.00 4.57 -1.09 0.76 -4.91 121.20 118.41 3knn s ILE 48 Ca -0.05 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3knn s ILE 48 Cb 0.15 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 3knn s ILE 48 CO 0.53 0.00 0.22 0.61 -1.23 0.00 0.00 174.94 175.08 3knn n GLY 49 N -2.54 0.49 3.40 6.18 0.00 -1.26 -4.73 105.19 106.73 3knn n GLY 49 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3knn n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knn s TYR 50 N 1.07 1.88 0.27 1.61 4.12 -1.26 -5.12 117.35 119.92 3knn s TYR 50 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 57.07 56.29 3knn s TYR 50 Cb 0.00 -0.98 0.01 0.00 -1.52 0.00 0.00 41.96 39.46 3knn s TYR 50 CO 0.00 0.33 0.60 -1.59 0.02 0.00 0.00 175.55 174.91 3knn s LYS 51 N -3.69 1.68 7.50 -0.62 -2.85 -1.26 -3.96 119.74 116.55 3knn s LYS 51 Ca 0.27 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 3knn s LYS 51 Cb 0.02 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 3knn s LYS 51 CO 0.10 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.22 3knn n GLY 52 N -0.43 2.49 0.09 0.59 0.00 -1.26 -3.42 105.19 103.25 3knn n GLY 52 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 3knn n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knn n SER 53 N 7.82 0.64 -0.29 1.61 3.41 -1.26 -4.16 113.62 121.38 3knn n SER 53 Ca 0.00 0.28 0.17 0.00 -0.26 0.00 0.00 58.87 59.07 3knn n SER 53 Cb 0.00 0.44 0.44 0.00 -0.26 0.00 0.00 64.21 64.83 3knn n SER 53 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3knn h ARG 54 N 0.00 0.53 0.00 4.33 2.47 -1.91 0.27 114.38 120.07 3knn h ARG 54 Ca -0.23 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3knn h ARG 54 Cb 1.70 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 3knn h ARG 54 CO 0.04 0.35 0.27 0.87 0.56 0.00 0.00 179.97 182.06 3knn h LYS 55 N 0.55 0.00 0.15 0.04 1.57 -1.74 0.24 116.57 117.38 3knn h LYS 55 Ca 0.52 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 59.01 3knn h LYS 55 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.42 3knn h LYS 55 CO -0.26 0.00 -1.38 0.78 -0.57 0.00 0.00 179.45 178.02 3knn h GLY 56 N 0.00 0.35 -3.12 3.86 0.00 -0.55 -3.24 103.07 100.38 3knn h GLY 56 Ca 0.00 -0.90 -0.44 0.00 0.00 0.00 0.00 47.33 45.99 3knn h GLY 56 CO 0.00 0.79 -0.60 2.41 0.00 0.00 0.00 176.54 179.14 3knn n THR 57 N -3.54 0.64 0.26 4.70 -1.04 0.85 -3.41 114.28 112.75 3knn n THR 57 Ca -0.12 -0.35 0.15 0.00 -2.04 0.00 0.00 64.05 61.69 3knn n THR 57 Cb 1.04 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 70.02 3knn n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3knn h PRO 58 N 0.32 0.00 0.50 -2.82 0.13 -1.87 -1.44 132.00 126.82 3knn h PRO 58 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3knn h PRO 58 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3knn h PRO 58 CO 0.34 0.00 -0.24 -0.92 -0.23 0.00 0.00 178.00 176.95 3knn h TYR 59 N 0.00 -0.62 -0.33 1.56 3.20 -1.92 -2.19 116.97 116.67 3knn h TYR 59 Ca 0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3knn h TYR 59 Cb 0.72 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3knn h TYR 59 CO 0.00 -0.30 -0.02 0.00 -1.64 0.00 0.00 178.16 176.21 3knn h ALA 60 N -0.74 0.45 -0.40 1.82 0.00 -1.84 0.13 119.26 118.68 3knn h ALA 60 Ca -0.07 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.70 3knn h ALA 60 Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3knn h ALA 60 CO 0.11 0.23 0.52 0.00 0.00 0.00 0.00 179.25 180.10 3knn h ALA 61 N 0.84 2.07 0.05 0.00 0.00 -1.31 0.44 119.26 121.35 3knn h ALA 61 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 3knn h ALA 61 Cb 0.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3knn h ALA 61 CO 0.02 -0.72 -1.29 0.37 0.00 0.00 0.00 179.25 177.63 3knn h GLN 62 N 0.00 0.11 0.00 0.00 4.15 -0.63 -3.26 115.11 115.48 3knn h GLN 62 Ca 0.19 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3knn h GLN 62 Cb 1.22 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3knn h GLN 62 CO -0.00 1.09 0.18 1.25 -1.93 0.00 0.00 178.83 179.42 3knn h LEU 63 N -0.64 0.00 0.00 -2.39 6.46 0.24 -0.93 115.31 118.05 3knn h LEU 63 Ca -0.31 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.35 3knn h LEU 63 Cb 1.52 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.43 3knn h LEU 63 CO -0.07 0.00 -0.55 0.00 -0.62 0.00 0.00 178.44 177.20 3knn h ALA 64 N 1.60 0.11 0.00 1.25 0.00 -0.81 -2.84 119.26 118.56 3knn h ALA 64 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3knn h ALA 64 Cb 0.37 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3knn h ALA 64 CO 0.00 0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.87 3knn h ALA 65 N -0.34 1.20 0.00 0.00 0.00 -1.22 0.01 119.26 118.92 3knn h ALA 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3knn h ALA 65 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3knn h ALA 65 CO -0.09 -0.20 -0.11 1.28 0.00 0.00 0.00 179.25 180.13 3knn n LEU 66 N -2.10 0.38 -0.36 0.00 4.77 -1.01 -2.32 117.00 116.37 3knn n LEU 66 Ca -0.01 0.33 0.34 0.00 -0.03 0.00 0.00 56.01 56.63 3knn n LEU 66 Cb 0.32 -0.58 0.60 0.00 -2.33 0.00 0.00 43.42 41.43 3knn n LEU 66 CO 0.06 -0.49 1.08 -0.67 -1.33 0.00 0.00 177.39 176.03 3knn n ASP 67 N -2.76 0.29 0.13 -1.43 4.64 -0.87 0.12 116.55 116.67 3knn n ASP 67 Ca -0.02 1.51 -0.06 0.00 -1.38 0.00 0.00 54.79 54.84 3knn n ASP 67 Cb 0.06 -0.74 -0.03 0.00 -1.04 0.00 0.00 41.12 39.37 3knn n ASP 67 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knn h ALA 68 N 1.79 -0.59 -0.80 -1.67 0.00 -1.18 -2.40 119.26 114.40 3knn h ALA 68 Ca 0.83 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.75 3knn h ALA 68 Cb 2.37 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 20.18 3knn h ALA 68 CO -0.64 -0.56 -0.50 0.00 0.00 0.00 0.00 179.25 177.55 3knn h ALA 69 N -1.54 -0.37 -0.97 0.00 0.00 0.09 0.14 119.26 116.60 3knn h ALA 69 Ca -0.04 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3knn h ALA 69 Cb 0.29 1.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.11 3knn h ALA 69 CO 0.06 -0.87 -0.57 -0.22 0.00 0.00 0.00 179.25 177.65 3knn h LYS 70 N -0.12 -0.02 -0.59 0.00 3.64 0.87 0.44 116.57 120.80 3knn h LYS 70 Ca 0.19 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 3knn h LYS 70 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3knn h LYS 70 CO -0.83 -0.01 0.40 0.87 -2.27 0.00 0.00 179.45 177.60 3knn h LYS 71 N -0.02 0.33 -0.68 1.90 1.57 -0.27 -1.78 116.57 117.61 3knn h LYS 71 Ca 0.17 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3knn h LYS 71 Cb 0.43 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3knn h LYS 71 CO -0.93 0.22 0.45 0.00 -0.57 0.00 0.00 179.45 178.62 3knn h ALA 72 N 1.71 1.68 0.00 3.86 0.00 0.16 -0.99 119.26 125.68 3knn h ALA 72 Ca 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3knn h ALA 72 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3knn h ALA 72 CO -0.07 0.23 -0.32 0.52 0.00 0.00 0.00 179.25 179.61 3knn h MET 73 N 0.76 0.00 -0.69 0.00 2.86 -1.14 -1.74 114.93 114.98 3knn h MET 73 Ca 0.28 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 58.03 3knn h MET 73 Cb 0.17 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 3knn h MET 73 CO -0.09 0.32 0.31 0.00 1.06 0.00 0.00 176.91 178.51 3knn h ALA 74 N 1.68 0.94 -0.42 6.32 0.00 -1.22 1.13 119.26 127.70 3knn h ALA 74 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3knn h ALA 74 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3knn h ALA 74 CO 0.04 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 179.83 3knn n TYR 75 N -4.93 0.84 -2.21 0.00 4.02 -1.15 -4.96 117.16 108.77 3knn n TYR 75 Ca 0.11 -0.35 -0.04 0.00 -0.01 0.00 0.00 57.90 57.61 3knn n TYR 75 Cb 0.31 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 39.51 3knn n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knn n GLY 76 N 0.92 -1.08 3.58 2.72 0.00 0.39 -3.29 105.19 108.43 3knn n GLY 76 Ca 0.16 0.61 -0.34 0.00 0.00 0.00 0.00 46.02 46.45 3knn n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3knn s MET 77 N -1.83 3.38 0.00 1.61 1.75 -0.67 -2.96 119.30 120.57 3knn s MET 77 Ca 0.13 -0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 3knn s MET 77 Cb -0.04 -2.87 0.00 0.00 2.84 0.00 0.00 34.83 34.77 3knn s MET 77 CO 0.41 0.44 0.00 1.04 -0.65 0.00 0.00 175.02 176.26 3knn n GLN 78 N 2.94 0.00 -4.42 4.11 1.13 0.20 -4.63 117.38 116.70 3knn n GLN 78 Ca -0.18 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.62 3knn n GLN 78 Cb 0.53 -0.30 -0.11 0.00 0.11 0.00 0.00 30.24 30.47 3knn n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3knn s SER 79 N -3.98 3.40 -0.28 1.08 1.04 -1.18 -1.73 113.70 112.06 3knn s SER 79 Ca 0.00 -0.89 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 3knn s SER 79 Cb 0.00 -0.25 0.08 0.00 0.10 0.00 0.00 66.02 65.95 3knn s SER 79 CO 0.00 0.10 0.68 0.68 0.98 0.00 0.00 173.24 175.67 3knn s VAL 80 N -1.84 -0.04 -0.23 5.02 -7.23 -0.76 -1.70 120.40 113.62 3knn s VAL 80 Ca 0.22 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.10 3knn s VAL 80 Cb -0.07 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 3knn s VAL 80 CO 0.10 0.00 1.29 -1.81 -0.31 0.00 0.00 175.10 174.38 3knn s ASP 81 N 1.68 6.81 0.52 4.85 1.11 -1.22 -2.72 116.67 127.70 3knn s ASP 81 Ca -0.10 1.48 -0.21 0.00 0.18 0.00 0.00 52.55 53.90 3knn s ASP 81 Cb -0.05 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 3knn s ASP 81 CO -0.20 -0.92 1.15 -0.69 1.18 0.00 0.00 175.17 175.70 3knn s VAL 82 N 3.94 3.09 -0.27 -1.27 1.01 0.83 -2.49 120.40 125.23 3knn s VAL 82 Ca 0.56 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 3knn s VAL 82 Cb -0.20 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 32.99 3knn s VAL 82 CO 0.19 -0.10 0.27 -0.63 0.00 0.00 0.00 175.10 174.83 3knn s ILE 83 N -1.68 -0.37 0.13 2.22 1.01 0.20 -1.09 121.20 121.61 3knn s ILE 83 Ca 0.70 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.86 3knn s ILE 83 Cb -0.26 -0.92 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 3knn s ILE 83 CO 0.30 -0.42 0.40 0.68 0.00 0.00 0.00 174.94 175.90 3knn s VAL 84 N 2.35 5.12 -0.14 2.92 -7.23 -0.68 0.11 120.40 122.86 3knn s VAL 84 Ca 0.09 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 3knn s VAL 84 Cb -0.14 -3.63 0.02 0.00 0.56 0.00 0.00 36.38 33.19 3knn s VAL 84 CO -0.29 0.11 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.36 3knn s ARG 85 N -2.41 2.09 0.54 4.82 0.52 0.21 -0.73 118.95 123.99 3knn s ARG 85 Ca 0.39 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 3knn s ARG 85 Cb -0.13 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3knn s ARG 85 CO 0.22 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.70 3knn n GLY 86 N 4.82 -2.92 1.78 -3.53 0.00 -1.22 -3.26 105.19 100.86 3knn n GLY 86 Ca -0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 3knn n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3knn n THR 87 N -4.09 0.00 0.00 2.61 -1.04 -1.26 -4.45 114.28 106.05 3knn n THR 87 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3knn n THR 87 Cb 0.59 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 3knn n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knn n GLY 88 N 1.13 3.99 0.01 3.41 0.00 -1.26 -3.85 105.19 108.62 3knn n GLY 88 Ca 0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 3knn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn h ALA 89 N 0.00 -0.96 0.00 4.61 0.00 -1.78 -2.27 119.26 118.86 3knn h ALA 89 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knn h ALA 89 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3knn h ALA 89 CO 0.00 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 178.70 3knn n GLY 90 N -0.86 1.50 0.33 0.00 0.00 -1.22 -4.11 105.19 100.83 3knn n GLY 90 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3knn n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3knn h ARG 91 N 0.27 -0.27 0.05 1.61 1.12 -1.74 -1.91 114.38 113.52 3knn h ARG 91 Ca 0.00 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.89 3knn h ARG 91 Cb 0.66 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.69 3knn h ARG 91 CO 0.00 -0.18 -0.03 1.49 -3.11 0.00 0.00 179.97 178.15 3knn h GLU 92 N -0.28 -0.07 -1.25 0.20 4.57 -1.80 -3.30 114.58 112.65 3knn h GLU 92 Ca 0.16 0.00 0.38 0.00 -1.18 0.00 0.00 59.36 58.72 3knn h GLU 92 Cb 0.54 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.03 3knn h GLU 92 CO -0.50 0.55 0.82 1.96 -1.18 0.00 0.00 179.01 180.65 3knn h GLN 93 N -0.81 0.17 -0.49 1.92 1.08 -1.81 1.80 115.11 116.96 3knn h GLN 93 Ca -0.01 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 3knn h GLN 93 Cb 0.65 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.99 3knn h GLN 93 CO 0.01 0.11 0.19 0.00 -0.95 0.00 0.00 178.83 178.19 3knn h ALA 94 N 1.57 0.60 -3.00 3.87 0.00 -1.42 0.22 119.26 121.09 3knn h ALA 94 Ca 0.74 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.70 3knn h ALA 94 Cb 2.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.07 3knn h ALA 94 CO -0.33 -0.19 0.00 -0.89 0.00 0.00 0.00 179.25 177.84 3knn n ILE 95 N -4.97 0.00 -0.30 0.00 2.08 0.61 -2.17 119.36 114.60 3knn n ILE 95 Ca 0.05 0.69 0.29 0.00 0.56 0.00 0.00 62.75 64.33 3knn n ILE 95 Cb 0.18 -1.66 0.52 0.00 -0.75 0.00 0.00 39.64 37.93 3knn n ILE 95 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3knn n ARG 96 N -0.20 -0.05 0.23 0.38 1.74 -1.06 0.94 116.66 118.64 3knn n ARG 96 Ca 0.00 1.17 -0.12 0.00 -0.77 0.00 0.00 57.85 58.13 3knn n ARG 96 Cb 0.00 -2.14 -0.06 0.00 -1.02 0.00 0.00 32.46 29.24 3knn n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knn h ALA 97 N 1.67 -1.07 0.03 7.54 0.00 -0.61 -2.85 119.26 123.96 3knn h ALA 97 Ca 0.74 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.52 3knn h ALA 97 Cb 2.02 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 20.30 3knn h ALA 97 CO -0.62 -1.07 -0.28 -0.07 0.00 0.00 0.00 179.25 177.21 3knn h LEU 98 N -0.71 -0.86 0.00 0.00 3.38 0.11 -3.21 115.31 114.02 3knn h LEU 98 Ca -0.05 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3knn h LEU 98 Cb 0.60 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3knn h LEU 98 CO 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.25 3knn n GLN 99 N -4.04 0.00 -3.91 1.13 1.13 0.20 -0.84 117.38 111.04 3knn n GLN 99 Ca -0.04 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.70 3knn n GLN 99 Cb 0.21 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.43 3knn n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3knn s ALA 100 N -0.39 3.18 0.00 -1.58 0.00 -1.16 -4.21 121.76 117.59 3knn s ALA 100 Ca 0.00 -2.89 0.03 0.00 0.00 0.00 0.00 51.96 49.10 3knn s ALA 100 Cb 0.00 -2.20 0.05 0.00 0.00 0.00 0.00 23.12 20.97 3knn s ALA 100 CO 0.00 -1.88 0.82 -1.13 0.00 0.00 0.00 175.76 173.57 3knn n SER 101 N 3.81 -0.03 -0.10 0.00 3.41 -0.02 -4.85 113.62 115.82 3knn n SER 101 Ca 0.04 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 3knn n SER 101 Cb 0.38 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3knn n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knn n GLY 102 N 0.06 0.90 3.15 5.00 0.00 -1.26 -4.75 105.19 108.28 3knn n GLY 102 Ca -0.04 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 3knn n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knn s LEU 103 N -0.20 0.39 -0.50 0.99 2.01 -1.26 -4.94 118.68 115.16 3knn s LEU 103 Ca 0.00 0.64 -0.21 0.00 0.01 0.00 0.00 54.13 54.57 3knn s LEU 103 Cb 0.00 0.97 0.05 0.00 0.01 0.00 0.00 46.19 47.22 3knn s LEU 103 CO 0.00 -0.16 0.72 -1.58 1.01 0.00 0.00 176.35 176.34 3knn s GLN 104 N 1.02 3.22 -0.98 1.70 0.74 -0.71 -4.55 119.66 120.10 3knn s GLN 104 Ca -0.07 -0.59 -0.25 0.00 0.05 0.00 0.00 55.36 54.51 3knn s GLN 104 Cb -0.08 -4.05 -0.10 0.00 1.10 0.00 0.00 33.01 29.88 3knn s GLN 104 CO -0.07 -1.25 2.05 0.14 -0.55 0.00 0.00 175.29 175.61 3knn s VAL 105 N 3.05 3.34 -2.00 1.34 -7.23 -1.26 -1.83 120.40 115.81 3knn s VAL 105 Ca 0.21 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3knn s VAL 105 Cb -0.16 -3.97 0.03 0.00 0.56 0.00 0.00 36.38 32.84 3knn s VAL 105 CO 0.16 -0.66 0.32 1.17 -0.31 0.00 0.00 175.10 175.77 3knn n LYS 106 N 8.60 0.19 0.00 4.82 4.81 -1.10 -4.77 118.16 130.70 3knn n LYS 106 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3knn n LYS 106 Cb 0.46 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.41 3knn n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3knn n SER 107 N -0.60 0.00 -3.88 3.14 2.88 -1.26 -4.70 113.62 109.20 3knn n SER 107 Ca 0.01 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 3knn n SER 107 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.30 3knn n SER 107 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3knn s ILE 108 N -1.71 1.02 0.09 2.46 1.01 -1.26 0.29 121.20 123.10 3knn s ILE 108 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3knn s ILE 108 Cb 0.00 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3knn s ILE 108 CO 0.00 0.20 -0.23 0.68 0.00 0.00 0.00 174.94 175.59 3knn s VAL 109 N 1.68 2.50 -0.59 2.92 -7.23 -0.25 -4.95 120.40 114.48 3knn s VAL 109 Ca 0.02 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 3knn s VAL 109 Cb -0.14 -2.08 0.15 0.00 0.56 0.00 0.00 36.38 34.87 3knn s VAL 109 CO -0.08 0.21 0.46 -0.62 -0.31 0.00 0.00 175.10 174.76 3knn s ASP 110 N -1.76 5.79 -0.35 4.85 2.15 -1.26 -1.68 116.67 124.41 3knn s ASP 110 Ca 0.15 -2.34 -0.14 0.00 0.43 0.00 0.00 52.55 50.64 3knn s ASP 110 Cb -0.10 -2.01 -0.01 0.00 -0.30 0.00 0.00 42.92 40.50 3knn s ASP 110 CO 0.06 -0.58 0.30 -0.62 -0.17 0.00 0.00 175.17 174.16 3knn s ASP 111 N 2.01 6.11 -0.14 -0.34 3.68 0.09 -4.96 116.67 123.11 3knn s ASP 111 Ca 0.11 -0.42 -0.01 0.00 2.13 0.00 0.00 52.55 54.36 3knn s ASP 111 Cb -0.21 -2.16 -0.02 0.00 -1.45 0.00 0.00 42.92 39.08 3knn s ASP 111 CO -0.03 -0.31 -0.11 -0.89 0.13 0.00 0.00 175.17 173.97 3knn s THR 112 N 1.83 3.22 -0.95 1.71 2.01 -1.26 -3.40 115.64 118.80 3knn s THR 112 Ca 0.08 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 3knn s THR 112 Cb -0.17 -2.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 3knn s THR 112 CO 0.11 0.51 2.13 -0.81 -0.69 0.00 0.00 174.62 175.87 3knn n PRO 113 N 3.68 2.11 -3.69 4.92 -0.04 -1.26 -4.91 135.00 135.81 3knn n PRO 113 Ca -0.18 -1.57 -0.37 0.00 -0.04 0.00 0.00 63.50 61.34 3knn n PRO 113 Cb 0.52 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 3knn n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knn s VAL 114 N 3.54 5.27 0.46 0.52 0.11 -1.26 -5.11 120.40 123.94 3knn s VAL 114 Ca 0.43 0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 59.98 3knn s VAL 114 Cb 0.11 -3.55 0.10 0.00 -1.53 0.00 0.00 36.38 31.50 3knn s VAL 114 CO -0.02 0.60 0.63 -0.81 -3.33 0.00 0.00 175.10 172.17 3knn n PRO 115 N 1.94 -0.01 -1.62 1.54 -0.04 -1.26 -5.02 135.00 130.53 3knn n PRO 115 Ca -0.17 -1.54 -0.21 0.00 -0.04 0.00 0.00 63.50 61.54 3knn n PRO 115 Cb 0.54 -0.48 0.07 0.00 -0.04 0.00 0.00 33.50 33.59 3knn n PRO 115 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3knn n HIS 116 N -2.43 2.39 -1.64 0.54 8.25 -1.26 -4.94 115.22 116.14 3knn n HIS 116 Ca 0.10 -2.23 -0.01 0.00 -0.26 0.00 0.00 57.72 55.33 3knn n HIS 116 Cb 0.35 -0.55 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 3knn n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3knn n ASN 117 N -0.84 -1.93 0.00 0.41 5.03 -1.26 -5.11 115.26 111.56 3knn n ASN 117 Ca 0.44 0.17 0.00 0.00 0.87 0.00 0.00 54.58 56.06 3knn n ASN 117 Cb 0.90 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 3knn n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knn n GLY 118 N 0.19 0.15 3.56 7.41 0.00 -1.26 -5.07 105.19 110.17 3knn n GLY 118 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3knn n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn n ARG 120 N 5.50 0.83 -0.41 0.00 0.63 -1.26 -4.89 116.66 117.06 3knn n ARG 120 Ca -0.07 0.27 -0.24 0.00 -0.92 0.00 0.00 57.85 56.88 3knn n ARG 120 Cb 0.49 -2.05 0.22 0.00 0.45 0.00 0.00 32.46 31.57 3knn n ARG 120 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3knn n PRO 121 N 6.54 -3.35 -1.25 -0.14 -0.02 -1.26 -5.00 135.00 130.53 3knn n PRO 121 Ca 0.37 -0.99 -0.29 0.00 -2.02 0.00 0.00 63.50 60.56 3knn n PRO 121 Cb 0.11 -1.72 0.20 0.00 -0.02 0.00 0.00 33.50 32.08 3knn n PRO 121 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3knn s LYS 122 N -4.19 -0.21 0.22 -0.52 2.20 -1.26 -4.87 119.74 111.10 3knn s LYS 122 Ca 0.52 0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 56.21 3knn s LYS 122 Cb -0.10 -1.70 0.20 0.00 -1.51 0.00 0.00 37.83 34.72 3knn s LYS 122 CO 0.47 -3.08 1.68 -0.22 -0.36 0.00 0.00 175.35 173.83 3knn h LYS 123 N -2.13 0.88 -0.51 4.03 3.64 -1.98 -3.05 116.57 117.45 3knn h LYS 123 Ca -0.49 -0.29 0.08 0.00 -1.27 0.00 0.00 60.65 58.69 3knn h LYS 123 Cb 1.31 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 3knn h LYS 123 CO 0.46 0.92 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.94 3knn h LYS 124 N 0.80 -0.24 -0.43 1.90 3.64 -2.04 0.39 116.57 120.60 3knn h LYS 124 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3knn h LYS 124 Cb 0.58 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3knn h LYS 124 CO 0.04 -0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.25 3knn n PHE 125 N -5.42 0.11 0.61 1.91 3.01 -1.18 -3.83 117.46 112.67 3knn n PHE 125 Ca 0.01 -0.04 -0.01 0.00 1.01 0.00 0.00 57.45 58.42 3knn n PHE 125 Cb 0.35 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 39.83 3knn n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3knn n ARG 126 N -0.18 1.58 -0.59 -1.08 1.74 0.14 -4.46 116.66 113.80 3knn n ARG 126 Ca 0.02 -0.60 -0.04 0.00 -0.77 0.00 0.00 57.85 56.45 3knn n ARG 126 Cb 0.16 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3knn n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knn n LYS 127 N 0.14 1.19 0.00 5.56 4.76 -1.25 -4.61 118.16 123.95 3knn n LYS 127 Ca 0.08 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 3knn n LYS 127 Cb 0.54 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 3knn n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knn n ALA 128 N 1.98 0.00 0.00 7.82 0.00 -1.26 -5.24 120.51 123.80 3knn n ALA 128 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3knn n ALA 128 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3knn n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95