#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n THR 3 N 0.00 0.00 -0.09 3.45 5.66 -1.26 -3.42 114.28 118.62 3knn n THR 3 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 3knn n THR 3 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3knn n THR 3 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3knn n ILE 4 N 0.00 -0.15 -0.26 1.09 2.08 -1.26 0.12 119.36 120.98 3knn n ILE 4 Ca 0.00 0.70 -0.08 0.00 0.56 0.00 0.00 62.75 63.93 3knn n ILE 4 Cb 0.00 -0.89 -0.04 0.00 -0.75 0.00 0.00 39.64 37.96 3knn n ILE 4 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 3knn h ASN 5 N 0.00 -1.64 -0.89 4.38 -0.00 -1.99 1.36 115.58 116.80 3knn h ASN 5 Ca 0.04 0.27 0.21 0.00 -0.00 0.00 0.00 56.30 56.81 3knn h ASN 5 Cb 0.09 0.75 -0.06 0.00 -0.00 0.00 0.00 38.32 39.10 3knn h ASN 5 CO -0.21 -0.32 0.59 1.56 -0.00 0.00 0.00 177.43 179.06 3knn h GLN 6 N -0.17 0.33 -0.38 6.67 4.20 0.69 0.34 115.11 126.78 3knn h GLN 6 Ca 0.19 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 3knn h GLN 6 Cb 0.55 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3knn h GLN 6 CO -0.76 0.22 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.22 3knn h LEU 7 N 0.34 0.93 -0.23 1.46 3.38 0.26 -1.07 115.31 120.37 3knn h LEU 7 Ca 0.46 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3knn h LEU 7 Cb 1.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3knn h LEU 7 CO -0.15 1.19 0.04 0.58 0.09 0.00 0.00 178.44 180.18 3knn h VAL 8 N 0.69 1.23 -0.39 1.22 2.07 0.22 1.23 116.25 122.51 3knn h VAL 8 Ca 0.07 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3knn h VAL 8 Cb 0.90 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3knn h VAL 8 CO 0.08 0.24 0.21 0.03 0.02 0.00 0.00 177.57 178.15 3knn h ARG 9 N 0.19 0.55 0.00 1.57 3.08 -0.79 -3.38 114.38 115.59 3knn h ARG 9 Ca 0.07 -0.07 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3knn h ARG 9 Cb 0.33 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3knn h ARG 9 CO 0.00 0.46 -2.24 1.63 -1.07 0.00 0.00 179.97 178.75 3knn n LYS 10 N -4.73 0.53 0.00 0.04 4.01 -0.41 -5.10 118.16 112.51 3knn n LYS 10 Ca 0.00 0.23 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 3knn n LYS 10 Cb 0.09 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 3knn n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knn n GLY 11 N 1.42 -0.88 3.06 0.72 0.00 0.42 -4.91 105.19 105.02 3knn n GLY 11 Ca -0.46 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 3knn n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knn s ARG 12 N 0.00 1.36 -0.55 1.61 1.81 -1.26 -4.89 118.95 117.02 3knn s ARG 12 Ca 0.00 -0.45 -0.24 0.00 -1.72 0.00 0.00 55.73 53.32 3knn s ARG 12 Cb 0.00 -1.21 0.04 0.00 -0.45 0.00 0.00 34.95 33.33 3knn s ARG 12 CO 0.00 0.17 0.95 -2.00 -0.68 0.00 0.00 175.30 173.74 3knn s GLU 13 N 0.13 3.34 -0.58 3.54 -6.30 -1.26 -4.96 118.70 112.62 3knn s GLU 13 Ca -0.04 -0.25 -0.26 0.00 -2.50 0.00 0.00 54.97 51.92 3knn s GLU 13 Cb -0.10 -4.05 -0.09 0.00 0.00 0.00 0.00 34.13 29.89 3knn s GLU 13 CO 0.01 -1.50 2.40 0.21 0.02 0.00 0.00 175.26 176.41 3knn s LYS 14 N 3.98 1.96 0.00 4.30 2.36 -1.26 -4.91 119.74 126.18 3knn s LYS 14 Ca 0.31 1.14 0.00 0.00 -2.55 0.00 0.00 55.97 54.87 3knn s LYS 14 Cb -0.12 -4.64 0.00 0.00 -1.05 0.00 0.00 37.83 32.02 3knn s LYS 14 CO 0.19 -3.60 0.00 1.33 1.55 0.00 0.00 175.35 174.82 3knn n VAL 15 N 8.20 0.00 0.00 4.02 0.24 -1.26 -5.00 118.33 124.53 3knn n VAL 15 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 3knn n VAL 15 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3knn n VAL 15 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3knn n ARG 16 N 0.00 0.00 -3.93 7.34 0.63 -1.26 -5.11 116.66 114.33 3knn n ARG 16 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 3knn n ARG 16 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 3knn n ARG 16 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3knn s LYS 17 N -4.74 3.49 -0.37 -0.14 -2.85 -1.26 -5.07 119.74 108.80 3knn s LYS 17 Ca 0.00 -0.18 -0.21 0.00 -1.00 0.00 0.00 55.97 54.58 3knn s LYS 17 Cb 0.00 -3.17 0.01 0.00 -2.06 0.00 0.00 37.83 32.61 3knn s LYS 17 CO 0.00 0.70 0.66 0.15 0.10 0.00 0.00 175.35 176.96 3knn s LYS 18 N -0.81 3.62 -0.87 1.78 3.01 -1.26 -4.94 119.74 120.27 3knn s LYS 18 Ca 0.14 0.01 -0.23 0.00 -1.01 0.00 0.00 55.97 54.87 3knn s LYS 18 Cb -0.12 -3.83 -0.21 0.00 -1.01 0.00 0.00 37.83 32.66 3knn s LYS 18 CO 0.03 -0.80 2.26 0.45 0.51 0.00 0.00 175.35 177.80 3knn n SER 19 N 6.14 -0.04 0.00 2.83 2.88 -1.26 -4.66 113.62 119.50 3knn n SER 19 Ca -0.01 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3knn n SER 19 Cb 0.48 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 3knn n SER 19 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3knn n LYS 20 N 6.89 0.00 -3.36 -1.46 4.81 -1.26 -3.50 118.16 120.28 3knn n LYS 20 Ca 0.58 0.29 -0.15 0.00 -0.87 0.00 0.00 58.31 58.16 3knn n LYS 20 Cb 0.04 -1.70 -0.08 0.00 0.02 0.00 0.00 35.03 33.32 3knn n LYS 20 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3knn s VAL 21 N -2.56 -0.43 -0.60 3.15 1.01 -1.26 -5.00 120.40 114.70 3knn s VAL 21 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3knn s VAL 21 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 3knn s VAL 21 CO 0.00 -0.48 1.84 -2.65 0.00 0.00 0.00 175.10 173.81 3knn n PRO 22 N 4.77 1.48 0.00 2.72 -0.02 -1.23 -4.52 135.00 138.21 3knn n PRO 22 Ca 0.05 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 3knn n PRO 22 Cb 0.47 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3knn n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knn n ALA 23 N 4.19 0.88 -1.99 3.55 0.00 -1.26 -4.75 120.51 121.13 3knn n ALA 23 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3knn n ALA 23 Cb 0.14 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3knn n ALA 23 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knn n LEU 24 N 0.26 -5.33 -3.73 0.00 7.99 -1.26 -4.15 117.00 110.77 3knn n LEU 24 Ca 0.00 3.03 -0.27 0.00 -0.01 0.00 0.00 56.01 58.75 3knn n LEU 24 Cb 0.00 -2.98 0.03 0.00 -0.11 0.00 0.00 43.42 40.35 3knn n LEU 24 CO 0.00 -1.30 -0.11 1.17 -1.51 0.00 0.00 177.39 175.64 3knn n LYS 25 N 1.51 -2.47 -3.19 3.23 4.81 -1.26 -2.16 118.16 118.63 3knn n LYS 25 Ca 0.00 0.50 -0.22 0.00 -0.87 0.00 0.00 58.31 57.71 3knn n LYS 25 Cb 0.00 -4.50 -0.04 0.00 0.02 0.00 0.00 35.03 30.50 3knn n LYS 25 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knn n GLY 26 N -1.71 -0.19 3.86 3.14 0.00 -1.26 -4.81 105.19 104.21 3knn n GLY 26 Ca -0.18 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3knn n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn s ALA 27 N -2.45 3.84 -0.89 4.61 0.00 -0.92 -4.98 121.76 120.98 3knn s ALA 27 Ca 0.38 -0.60 0.25 0.00 0.00 0.00 0.00 51.96 51.99 3knn s ALA 27 Cb -0.22 -2.03 0.99 0.00 0.00 0.00 0.00 23.12 21.86 3knn s ALA 27 CO 0.55 0.57 1.78 -0.35 0.00 0.00 0.00 175.76 178.31 3knn n PRO 28 N 2.09 0.08 -0.90 0.00 -0.04 -1.26 -4.75 135.00 130.22 3knn n PRO 28 Ca -0.19 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3knn n PRO 28 Cb 0.54 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3knn n PRO 28 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3knn n PHE 29 N -1.75 -0.70 0.00 0.54 3.72 -1.26 -4.77 117.46 113.25 3knn n PHE 29 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3knn n PHE 29 Cb 0.32 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3knn n PHE 29 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3knn n ARG 30 N 0.00 0.00 -3.10 -1.08 3.00 -1.18 -4.89 116.66 109.41 3knn n ARG 30 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 3knn n ARG 30 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 3knn n ARG 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3knn s ARG 31 N -0.14 4.39 0.35 -0.14 3.52 -1.26 0.92 118.95 126.59 3knn s ARG 31 Ca 0.00 0.97 -0.07 0.00 -0.13 0.00 0.00 55.73 56.50 3knn s ARG 31 Cb 0.00 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3knn s ARG 31 CO 0.00 0.56 0.57 0.20 -0.81 0.00 0.00 175.30 175.82 3knn s GLY 32 N -1.23 1.10 -0.01 8.12 0.00 0.01 -2.06 107.32 113.24 3knn s GLY 32 Ca 0.35 -1.25 0.05 0.00 0.00 0.00 0.00 44.72 43.87 3knn s GLY 32 CO 0.23 -0.77 -0.15 0.14 0.00 0.00 0.00 173.10 172.55 3knn s VAL 33 N -2.89 1.20 -0.23 1.40 1.01 -0.52 -0.42 120.40 119.95 3knn s VAL 33 Ca 0.25 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3knn s VAL 33 Cb -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3knn s VAL 33 CO 0.17 0.34 1.14 0.00 0.00 0.00 0.00 175.10 176.75 3knn n THR 35 N 5.50 0.59 -3.84 0.00 -2.24 -0.78 0.14 114.28 113.65 3knn n THR 35 Ca 0.13 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 3knn n THR 35 Cb 0.46 -0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 3knn n THR 35 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3knn s VAL 36 N -3.22 0.06 -0.41 2.28 1.01 -1.25 -4.84 120.40 114.03 3knn s VAL 36 Ca -0.05 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3knn s VAL 36 Cb 0.11 -0.42 0.19 0.00 0.00 0.00 0.00 36.38 36.26 3knn s VAL 36 CO 0.85 -0.27 0.39 0.52 0.00 0.00 0.00 175.10 176.59 3knn n VAL 37 N 1.78 -1.06 -2.84 2.92 0.31 -1.26 -2.09 118.33 116.09 3knn n VAL 37 Ca -0.20 -3.59 0.00 0.00 -0.01 0.00 0.00 64.34 60.53 3knn n VAL 37 Cb 0.56 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 3knn n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knn n ARG 38 N 2.44 1.52 -4.11 5.55 0.63 -0.96 -4.95 116.66 116.79 3knn n ARG 38 Ca 0.27 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.06 3knn n ARG 38 Cb 0.49 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.29 3knn n ARG 38 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3knn s THR 39 N 1.11 0.74 0.05 5.15 -4.23 -1.26 -2.19 115.64 115.01 3knn s THR 39 Ca 0.00 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.20 3knn s THR 39 Cb 0.00 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 3knn s THR 39 CO 0.00 -0.38 0.14 0.68 -0.54 0.00 0.00 174.62 174.52 3knn s VAL 40 N -1.57 0.13 0.15 2.29 -7.23 -0.82 -4.93 120.40 108.42 3knn s VAL 40 Ca -0.05 -1.11 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 3knn s VAL 40 Cb -0.08 -1.07 -0.07 0.00 0.56 0.00 0.00 36.38 35.71 3knn s VAL 40 CO 0.01 -0.61 0.66 0.28 -0.31 0.00 0.00 175.10 175.12 3knn s THR 41 N -3.05 4.63 0.80 5.32 -1.32 -1.26 -2.41 115.64 118.35 3knn s THR 41 Ca -0.01 1.28 -0.12 0.00 -1.21 0.00 0.00 61.69 61.63 3knn s THR 41 Cb 0.01 -3.91 0.07 0.00 -1.51 0.00 0.00 72.50 67.17 3knn s THR 41 CO -0.07 0.39 1.17 -2.16 -2.21 0.00 0.00 174.62 171.74 3knn s PRO 42 N -1.52 2.06 0.00 7.08 0.04 -1.26 -4.70 135.00 136.70 3knn s PRO 42 Ca 0.36 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3knn s PRO 42 Cb -0.19 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3knn s PRO 42 CO 0.21 -1.54 0.00 1.17 0.04 0.00 0.00 177.00 176.88 3knn n LYS 43 N -3.29 0.00 -0.13 4.56 4.81 -1.26 -4.89 118.16 117.96 3knn n LYS 43 Ca 0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3knn n LYS 43 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 3knn n LYS 43 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3knn n LYS 44 N 0.00 1.66 0.00 1.64 5.02 -1.26 -4.30 118.16 120.92 3knn n LYS 44 Ca 0.00 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3knn n LYS 44 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 3knn n LYS 44 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3knn n PRO 45 N 0.31 0.00 -3.96 1.97 -0.04 -1.26 -4.61 135.00 127.40 3knn n PRO 45 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3knn n PRO 45 Cb 0.01 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.94 3knn n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3knn s ASN 46 N -0.12 6.30 -0.09 3.54 0.02 -1.26 -5.12 114.94 118.21 3knn s ASN 46 Ca 0.00 0.11 -0.05 0.00 -1.02 0.00 0.00 52.86 51.90 3knn s ASN 46 Cb 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 41.25 39.44 3knn s ASN 46 CO 0.00 -0.00 0.21 -0.55 0.02 0.00 0.00 177.10 176.78 3knn s SER 47 N -3.57 -0.22 0.00 -1.22 0.15 -1.26 -4.70 113.70 102.88 3knn s SER 47 Ca 0.34 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.44 3knn s SER 47 Cb -0.10 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 3knn s SER 47 CO 0.29 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.58 3knn n ALA 48 N 3.99 0.00 -3.57 5.45 0.00 -1.26 -5.00 120.51 120.12 3knn n ALA 48 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 3knn n ALA 48 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 3knn n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knn n LEU 49 N 0.00 1.25 -4.69 0.00 7.99 -1.26 -4.30 117.00 115.99 3knn n LEU 49 Ca 0.00 -4.81 -0.29 0.00 -0.01 0.00 0.00 56.01 50.90 3knn n LEU 49 Cb 0.00 -0.03 0.18 0.00 -0.11 0.00 0.00 43.42 43.45 3knn n LEU 49 CO 0.00 1.86 0.65 -0.13 -1.51 0.00 0.00 177.39 178.26 3knn s ARG 50 N -0.85 0.33 -0.03 3.23 3.00 -1.01 -4.74 118.95 118.88 3knn s ARG 50 Ca 0.31 0.41 0.06 0.00 0.00 0.00 0.00 55.73 56.50 3knn s ARG 50 Cb 0.03 -1.74 -0.02 0.00 0.00 0.00 0.00 34.95 33.22 3knn s ARG 50 CO -0.16 -2.77 -0.20 0.15 0.00 0.00 0.00 175.30 172.32 3knn s LYS 51 N -5.05 2.30 0.06 3.54 3.01 -1.26 -1.95 119.74 120.39 3knn s LYS 51 Ca 0.66 -0.82 -0.04 0.00 -1.01 0.00 0.00 55.97 54.76 3knn s LYS 51 Cb -0.17 -2.21 -0.03 0.00 -1.01 0.00 0.00 37.83 34.41 3knn s LYS 51 CO 0.57 0.59 0.05 0.08 0.51 0.00 0.00 175.35 177.15 3knn s VAL 52 N -0.69 0.19 0.02 3.17 1.01 -0.93 -2.38 120.40 120.79 3knn s VAL 52 Ca 0.11 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.54 3knn s VAL 52 Cb -0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3knn s VAL 52 CO 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 175.10 174.20 3knn s ALA 53 N -3.85 0.26 -0.10 5.51 0.00 0.12 -2.26 121.76 121.45 3knn s ALA 53 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3knn s ALA 53 Cb 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3knn s ALA 53 CO -0.10 -0.05 0.21 0.21 0.00 0.00 0.00 175.76 176.03 3knn s LYS 54 N -1.01 3.64 0.05 0.00 2.20 -0.89 0.78 119.74 124.53 3knn s LYS 54 Ca -0.09 0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.58 3knn s LYS 54 Cb -0.07 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3knn s LYS 54 CO -0.00 0.70 -0.14 0.08 -0.36 0.00 0.00 175.35 175.63 3knn s VAL 55 N -0.88 1.10 -0.66 4.02 1.01 0.26 -1.86 120.40 123.39 3knn s VAL 55 Ca 0.17 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 3knn s VAL 55 Cb -0.13 -1.03 0.17 0.00 0.00 0.00 0.00 36.38 35.39 3knn s VAL 55 CO 0.06 -0.10 0.56 -0.60 0.00 0.00 0.00 175.10 175.01 3knn s ARG 56 N -1.41 3.02 1.15 2.72 6.06 0.48 -2.12 118.95 128.84 3knn s ARG 56 Ca -0.00 -2.22 -0.18 0.00 -2.50 0.00 0.00 55.73 50.83 3knn s ARG 56 Cb -0.09 -4.13 0.26 0.00 0.06 0.00 0.00 34.95 31.05 3knn s ARG 56 CO 0.02 -1.25 1.14 -0.51 -2.50 0.00 0.00 175.30 172.20 3knn s LEU 57 N 0.57 1.05 0.14 -0.88 2.01 -0.95 -1.44 118.68 119.18 3knn s LEU 57 Ca 0.13 0.64 0.04 0.00 0.01 0.00 0.00 54.13 54.94 3knn s LEU 57 Cb -0.19 -2.46 -0.12 0.00 0.01 0.00 0.00 46.19 43.43 3knn s LEU 57 CO -0.04 -3.83 1.31 0.71 1.01 0.00 0.00 176.35 175.50 3knn h THR 58 N -2.38 1.60 0.00 5.49 1.35 -1.76 -3.09 112.91 114.11 3knn h THR 58 Ca -0.46 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.36 3knn h THR 58 Cb 1.29 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 3knn h THR 58 CO 0.37 0.88 0.00 -1.54 -0.25 0.00 0.00 175.52 174.98 3knn n SER 59 N -3.50 0.83 -1.88 5.36 3.41 -1.26 -4.72 113.62 111.86 3knn n SER 59 Ca -0.03 -0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 57.48 3knn n SER 59 Cb 0.89 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 3knn n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knn n GLY 60 N 0.44 0.44 4.01 5.00 0.00 -1.17 -4.95 105.19 108.97 3knn n GLY 60 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3knn n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knn s TYR 61 N -2.38 1.30 -0.28 1.61 1.51 -1.26 -4.91 117.35 112.95 3knn s TYR 61 Ca 0.00 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 3knn s TYR 61 Cb 0.00 -2.66 0.14 0.00 -0.11 0.00 0.00 41.96 39.33 3knn s TYR 61 CO 0.00 -1.58 0.34 -2.00 -1.11 0.00 0.00 175.55 171.20 3knn s GLU 62 N -4.98 0.35 0.20 -0.62 2.56 -1.24 -2.23 118.70 112.74 3knn s GLU 62 Ca 0.66 0.04 0.03 0.00 0.00 0.00 0.00 54.97 55.70 3knn s GLU 62 Cb -0.05 -0.55 -0.05 0.00 2.00 0.00 0.00 34.13 35.49 3knn s GLU 62 CO 0.43 -0.97 -0.00 0.14 -0.56 0.00 0.00 175.26 174.30 3knn s VAL 63 N 2.44 0.84 -0.19 3.70 -7.23 -0.90 -4.88 120.40 114.18 3knn s VAL 63 Ca 0.10 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 3knn s VAL 63 Cb -0.14 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 3knn s VAL 63 CO -0.29 -0.41 0.13 0.42 -0.31 0.00 0.00 175.10 174.63 3knn s THR 64 N -3.55 5.38 0.23 5.32 -4.23 -1.26 0.90 115.64 118.45 3knn s THR 64 Ca 0.26 0.18 0.11 0.00 -1.18 0.00 0.00 61.69 61.05 3knn s THR 64 Cb 0.06 -3.44 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 3knn s THR 64 CO 0.06 0.46 -0.20 0.00 -0.54 0.00 0.00 174.62 174.41 3knn s ALA 65 N 0.19 2.48 0.14 3.99 0.00 0.23 -4.15 121.76 124.64 3knn s ALA 65 Ca 0.09 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.21 3knn s ALA 65 Cb -0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 3knn s ALA 65 CO -0.01 0.27 0.46 -0.47 0.00 0.00 0.00 175.76 176.01 3knn s TYR 66 N -2.34 3.53 -0.81 0.00 5.04 -0.70 0.15 117.35 122.22 3knn s TYR 66 Ca 0.25 0.83 -0.03 0.00 -2.44 0.00 0.00 57.07 55.68 3knn s TYR 66 Cb -0.05 -2.20 0.20 0.00 0.35 0.00 0.00 41.96 40.26 3knn s TYR 66 CO 0.11 0.43 0.68 0.42 -1.34 0.00 0.00 175.55 175.85 3knn s ILE 67 N -1.55 4.24 1.09 3.14 1.01 -1.00 -1.79 121.20 126.34 3knn s ILE 67 Ca 0.38 -3.53 -0.16 0.00 0.00 0.00 0.00 60.65 57.35 3knn s ILE 67 Cb -0.13 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.79 3knn s ILE 67 CO 0.20 -1.02 0.29 -2.65 0.00 0.00 0.00 174.94 171.76 3knn n PRO 68 N 2.76 -1.41 0.00 2.79 -0.02 -1.26 -4.74 135.00 133.11 3knn n PRO 68 Ca 0.17 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3knn n PRO 68 Cb 0.38 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3knn n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knn n GLY 69 N 1.69 -3.69 3.20 -1.23 0.00 -1.26 -4.78 105.19 99.12 3knn n GLY 69 Ca 0.03 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 3knn n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knn s GLU 70 N -0.83 3.56 0.00 1.61 2.56 -1.26 -4.96 118.70 119.39 3knn s GLU 70 Ca 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 54.97 51.83 3knn s GLU 70 Cb 0.00 -4.18 0.00 0.00 2.00 0.00 0.00 34.13 31.95 3knn s GLU 70 CO 0.00 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 173.86 3knn n GLY 71 N 2.67 -1.85 0.00 -1.50 0.00 -1.26 -4.91 105.19 98.34 3knn n GLY 71 Ca 0.21 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3knn n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3knn n HIS 72 N -0.64 0.00 -2.51 1.61 1.44 -1.26 -4.87 115.22 109.00 3knn n HIS 72 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 3knn n HIS 72 Cb 0.00 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.19 3knn n HIS 72 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3knn n ASN 73 N 0.00 -1.35 -4.61 4.39 6.94 -1.26 -5.10 115.26 114.26 3knn n ASN 73 Ca 0.00 -2.17 -0.36 0.00 -0.02 0.00 0.00 54.58 52.03 3knn n ASN 73 Cb 0.00 0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.91 3knn n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3knn s LEU 74 N -3.11 3.95 0.40 -4.53 1.43 -1.26 -4.88 118.68 110.68 3knn s LEU 74 Ca 0.07 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3knn s LEU 74 Cb 0.34 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 3knn s LEU 74 CO -0.10 0.06 0.28 -1.10 0.23 0.00 0.00 176.35 175.71 3knn s GLN 75 N 1.11 2.42 0.41 1.70 -0.21 -1.26 -4.89 119.66 118.94 3knn s GLN 75 Ca 0.06 -1.63 -0.26 0.00 0.02 0.00 0.00 55.36 53.55 3knn s GLN 75 Cb -0.14 -2.22 -0.09 0.00 1.00 0.00 0.00 33.01 31.56 3knn s GLN 75 CO 0.04 -0.12 1.33 -2.00 -2.12 0.00 0.00 175.29 172.43 3knn s GLU 76 N -4.01 3.95 0.00 2.91 2.12 -1.26 -2.88 118.70 119.53 3knn s GLU 76 Ca 0.44 2.23 0.00 0.00 0.36 0.00 0.00 54.97 58.00 3knn s GLU 76 Cb -0.01 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.61 3knn s GLU 76 CO 0.25 -0.53 0.00 0.72 -0.54 0.00 0.00 175.26 175.16 3knn n HIS 77 N 0.14 0.00 -4.33 5.30 8.25 0.37 -5.00 115.22 119.95 3knn n HIS 77 Ca 0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 3knn n HIS 77 Cb 0.43 -0.89 -0.16 0.00 1.12 0.00 0.00 29.99 30.49 3knn n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3knn s SER 78 N -2.89 2.97 0.29 0.41 0.15 -1.14 -4.88 113.70 108.61 3knn s SER 78 Ca 0.00 -0.58 -0.29 0.00 0.70 0.00 0.00 55.95 55.78 3knn s SER 78 Cb 0.00 -1.37 -0.10 0.00 -1.71 0.00 0.00 66.02 62.84 3knn s SER 78 CO 0.00 0.02 1.32 -0.69 1.20 0.00 0.00 173.24 175.09 3knn s VAL 79 N 1.12 2.85 0.16 4.45 1.01 -1.26 -1.89 120.40 126.84 3knn s VAL 79 Ca -0.00 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 3knn s VAL 79 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3knn s VAL 79 CO -0.07 0.17 0.15 -0.69 0.00 0.00 0.00 175.10 174.65 3knn s VAL 80 N -0.73 0.06 -0.09 2.92 1.01 0.44 -2.15 120.40 121.87 3knn s VAL 80 Ca 0.52 -1.79 0.03 0.00 0.00 0.00 0.00 61.98 60.73 3knn s VAL 80 Cb -0.39 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3knn s VAL 80 CO 0.48 -0.29 -0.17 -0.22 0.00 0.00 0.00 175.10 174.89 3knn s LEU 81 N -3.06 2.50 0.15 3.92 0.20 -1.26 -0.81 118.68 120.32 3knn s LEU 81 Ca 0.26 -0.36 -0.06 0.00 0.69 0.00 0.00 54.13 54.67 3knn s LEU 81 Cb 0.06 -1.52 -0.06 0.00 -0.43 0.00 0.00 46.19 44.24 3knn s LEU 81 CO 0.04 0.24 0.40 -0.63 -0.29 0.00 0.00 176.35 176.11 3knn s ILE 82 N -0.10 5.13 0.00 6.68 -1.09 0.26 -2.34 121.20 129.74 3knn s ILE 82 Ca -0.03 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3knn s ILE 82 Cb -0.14 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3knn s ILE 82 CO 0.04 0.04 0.00 -1.14 -1.23 0.00 0.00 174.94 172.65 3knn n ARG 83 N 0.12 3.42 -1.49 2.79 0.63 0.13 -3.12 116.66 119.14 3knn n ARG 83 Ca -0.02 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.90 3knn n ARG 83 Cb 0.52 -0.95 -0.00 0.00 0.45 0.00 0.00 32.46 32.48 3knn n ARG 83 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3knn n GLY 84 N 2.71 -3.28 3.15 5.14 0.00 -1.24 -4.80 105.19 106.86 3knn n GLY 84 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3knn n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knn s GLY 85 N -0.10 -0.28 0.64 -0.02 0.00 -0.05 -4.67 107.32 102.84 3knn s GLY 85 Ca -0.03 2.93 -0.18 0.00 0.00 0.00 0.00 44.72 47.44 3knn s GLY 85 CO 0.07 4.01 1.22 -0.96 0.00 0.00 0.00 173.10 177.44 3knn n ARG 86 N 5.40 1.06 -3.76 2.90 -4.01 -1.18 -3.67 116.66 113.40 3knn n ARG 86 Ca -0.05 0.42 -0.33 0.00 -1.04 0.00 0.00 57.85 56.85 3knn n ARG 86 Cb 0.55 -2.45 -0.09 0.00 -3.04 0.00 0.00 32.46 27.43 3knn n ARG 86 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 3knn s VAL 87 N -1.41 3.65 0.00 8.89 1.01 -0.65 -4.95 120.40 126.94 3knn s VAL 87 Ca 0.81 -3.78 0.00 0.00 0.00 0.00 0.00 61.98 59.01 3knn s VAL 87 Cb -0.39 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3knn s VAL 87 CO 0.42 -1.00 0.00 1.17 0.00 0.00 0.00 175.10 175.69 3knn n LYS 88 N 2.50 0.00 0.00 2.72 3.00 -1.26 -3.29 118.16 121.83 3knn n LYS 88 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 3knn n LYS 88 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 3knn n LYS 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3knn n ASP 89 N -0.14 0.00 -4.51 3.14 9.92 -1.26 -4.22 116.55 119.47 3knn n ASP 89 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 3knn n ASP 89 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 3knn n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knn n LEU 90 N 0.00 1.46 -4.74 0.64 -0.00 -1.21 -4.01 117.00 109.14 3knn n LEU 90 Ca 0.00 -0.10 -0.34 0.00 -0.00 0.00 0.00 56.01 55.57 3knn n LEU 90 Cb 0.00 -1.27 0.07 0.00 -0.00 0.00 0.00 43.42 42.22 3knn n LEU 90 CO 0.00 -1.11 0.78 -2.84 -0.00 0.00 0.00 177.39 174.21 3knn s PRO 91 N 8.28 2.42 0.00 1.47 0.02 -1.26 -3.50 135.00 142.43 3knn s PRO 91 Ca 1.15 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3knn s PRO 91 Cb -0.72 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 31.92 3knn s PRO 91 CO 0.39 -1.59 0.00 0.41 -0.33 0.00 0.00 177.00 175.88 3knn n GLY 92 N 0.06 2.95 3.58 0.52 0.00 -1.26 -5.00 105.19 106.04 3knn n GLY 92 Ca 0.12 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3knn n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 93 N 0.00 3.51 -0.06 1.61 1.01 -1.23 -4.77 120.40 120.47 3knn s VAL 93 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.53 3knn s VAL 93 Cb 0.00 -3.84 0.14 0.00 0.00 0.00 0.00 36.38 32.68 3knn s VAL 93 CO 0.00 -0.64 1.04 0.54 0.00 0.00 0.00 175.10 176.04 3knn n ARG 94 N 8.63 1.62 -4.00 2.72 1.74 -1.26 -1.64 116.66 124.48 3knn n ARG 94 Ca 0.21 -1.90 -0.18 0.00 -0.77 0.00 0.00 57.85 55.20 3knn n ARG 94 Cb 0.49 -1.16 -0.16 0.00 -1.02 0.00 0.00 32.46 30.61 3knn n ARG 94 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3knn s TYR 95 N -1.74 0.48 0.12 -1.55 1.51 -1.24 -0.88 117.35 114.05 3knn s TYR 95 Ca 0.16 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 3knn s TYR 95 Cb 0.14 -0.52 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 3knn s TYR 95 CO 0.01 -0.16 0.26 -1.01 -1.11 0.00 0.00 175.55 173.54 3knn s HIS 96 N 1.06 3.50 0.51 2.71 3.76 -1.25 -1.72 115.29 123.85 3knn s HIS 96 Ca -0.09 0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 3knn s HIS 96 Cb -0.14 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.85 3knn s HIS 96 CO -0.01 0.54 0.76 0.42 -0.85 0.00 0.00 174.74 175.60 3knn s ILE 97 N -1.66 3.85 -0.48 0.60 1.01 -0.74 0.20 121.20 123.99 3knn s ILE 97 Ca 0.35 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 3knn s ILE 97 Cb -0.12 -3.46 0.12 0.00 0.01 0.00 0.00 42.46 39.01 3knn s ILE 97 CO 0.28 -0.38 0.34 -0.69 0.00 0.00 0.00 174.94 174.49 3knn s VAL 98 N -2.73 4.11 -0.14 2.92 1.01 -0.99 -4.77 120.40 119.82 3knn s VAL 98 Ca 0.51 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 3knn s VAL 98 Cb -0.10 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 3knn s VAL 98 CO 0.41 -0.78 2.04 -0.13 0.00 0.00 0.00 175.10 176.64 3knn s ARG 99 N 1.26 3.57 0.00 2.72 1.81 -1.26 -2.48 118.95 124.56 3knn s ARG 99 Ca 0.07 2.15 0.00 0.00 -1.72 0.00 0.00 55.73 56.23 3knn s ARG 99 Cb -0.25 -4.25 0.00 0.00 -0.45 0.00 0.00 34.95 30.00 3knn s ARG 99 CO -0.01 -1.60 0.00 0.41 -0.68 0.00 0.00 175.30 173.41 3knn n GLY 100 N 5.19 0.94 3.40 -3.53 0.00 0.13 -1.19 105.19 110.14 3knn n GLY 100 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3knn n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 101 N -1.28 2.49 0.00 1.61 1.01 -1.03 -4.93 120.40 118.26 3knn s VAL 101 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3knn s VAL 101 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3knn s VAL 101 CO 0.00 0.36 0.00 -1.22 0.00 0.00 0.00 175.10 174.24 3knn n TYR 102 N 1.68 0.00 1.28 5.22 0.53 -1.26 -1.40 117.16 123.20 3knn n TYR 102 Ca -0.17 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 56.85 3knn n TYR 102 Cb 0.52 0.02 0.69 0.00 -1.03 0.00 0.00 39.34 39.54 3knn n TYR 102 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3knn n ASP 103 N 2.47 0.00 -4.58 7.72 8.00 -0.92 -4.64 116.55 124.61 3knn n ASP 103 Ca 0.00 -0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 3knn n ASP 103 Cb 0.00 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 3knn n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knn s ALA 104 N -2.64 2.95 1.00 2.24 0.00 -0.49 -4.88 121.76 119.94 3knn s ALA 104 Ca 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3knn s ALA 104 Cb 0.19 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3knn s ALA 104 CO 0.44 -2.71 0.00 0.00 0.00 0.00 0.00 175.76 173.50 3knn n ALA 105 N 8.84 0.00 -2.37 0.00 0.00 -1.26 -1.82 120.51 123.90 3knn n ALA 105 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 3knn n ALA 105 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 3knn n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knn s GLY 106 N -2.19 1.45 -0.01 0.00 0.00 -1.26 -0.69 107.32 104.61 3knn s GLY 106 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.14 3knn s GLY 106 CO 0.00 -1.18 2.03 0.14 0.00 0.00 0.00 173.10 174.09 3knn s VAL 107 N -0.86 3.00 0.50 1.40 1.01 -1.13 -4.91 120.40 119.43 3knn s VAL 107 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 3knn s VAL 107 Cb -0.10 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 3knn s VAL 107 CO 0.03 -0.00 1.01 -0.54 0.00 0.00 0.00 175.10 175.60 3knn s LYS 108 N 4.87 3.83 0.00 2.72 1.02 -1.26 -3.71 119.74 127.21 3knn s LYS 108 Ca 0.91 1.16 0.00 0.00 0.02 0.00 0.00 55.97 58.06 3knn s LYS 108 Cb -0.41 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3knn s LYS 108 CO 0.40 -0.38 0.00 -0.25 -0.92 0.00 0.00 175.35 174.20 3knn n ASP 109 N -1.29 -2.71 -4.72 2.83 9.92 -1.26 -4.89 116.55 114.42 3knn n ASP 109 Ca 0.08 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.99 3knn n ASP 109 Cb 0.53 -1.97 0.09 0.00 -0.64 0.00 0.00 41.12 39.13 3knn n ASP 109 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3knn s ARG 110 N -0.98 2.25 0.00 -1.24 6.06 -1.24 -4.91 118.95 118.89 3knn s ARG 110 Ca 0.00 1.82 0.00 0.00 -2.50 0.00 0.00 55.73 55.05 3knn s ARG 110 Cb 0.00 -1.84 0.00 0.00 0.06 0.00 0.00 34.95 33.17 3knn s ARG 110 CO 0.00 -1.76 0.00 1.63 -2.50 0.00 0.00 175.30 172.67 3knn n LYS 111 N -2.51 0.13 0.00 5.12 5.02 -1.26 -4.94 118.16 119.71 3knn n LYS 111 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3knn n LYS 111 Cb 0.50 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 3knn n LYS 111 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3knn n LYS 112 N -0.60 0.00 -1.57 1.97 5.02 -1.26 -4.37 118.16 117.36 3knn n LYS 112 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 3knn n LYS 112 Cb 0.02 -0.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.95 3knn n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3knn n SER 113 N 0.00 3.13 0.09 4.39 7.64 -1.26 -4.63 113.62 122.98 3knn n SER 113 Ca 0.00 -2.74 -0.14 0.00 1.01 0.00 0.00 58.87 57.00 3knn n SER 113 Cb 0.00 -1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 61.71 3knn n SER 113 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3knn h ARG 114 N 7.78 0.30 -0.57 1.43 3.08 -1.91 -3.31 114.38 121.18 3knn h ARG 114 Ca 0.42 -0.42 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3knn h ARG 114 Cb 0.73 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.82 3knn h ARG 114 CO 1.77 1.15 -0.45 1.03 -1.07 0.00 0.00 179.97 182.40 3knn h SER 115 N 0.13 -1.54 -4.26 7.04 0.87 -1.86 -3.02 113.55 110.91 3knn h SER 115 Ca -0.10 0.25 -0.49 0.00 -1.23 0.00 0.00 61.79 60.21 3knn h SER 115 Cb 1.78 0.69 0.12 0.00 -0.44 0.00 0.00 62.40 64.55 3knn h SER 115 CO 0.18 -0.34 0.33 -0.54 -0.53 0.00 0.00 176.83 175.93 3knn s LYS 116 N -5.81 2.02 -0.26 2.24 1.02 -1.25 -3.18 119.74 114.52 3knn s LYS 116 Ca -0.14 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.54 3knn s LYS 116 Cb 0.13 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 3knn s LYS 116 CO 0.66 -1.68 0.00 0.66 -0.92 0.00 0.00 175.35 174.07 3knn n TYR 117 N -3.48 0.00 -1.39 3.18 4.02 -1.26 -4.47 117.16 113.76 3knn n TYR 117 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3knn n TYR 117 Cb 0.56 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 3knn n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knn n GLY 118 N -0.79 0.00 3.03 2.72 0.00 -0.33 -2.82 105.19 107.00 3knn n GLY 118 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3knn n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knn s THR 119 N 0.00 -0.79 0.25 2.61 2.01 -1.14 -3.56 115.64 115.01 3knn s THR 119 Ca 0.00 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 3knn s THR 119 Cb 0.00 -0.91 -0.14 0.00 0.01 0.00 0.00 72.50 71.45 3knn s THR 119 CO 0.00 -0.08 1.12 0.29 -0.69 0.00 0.00 174.62 175.27 3knn n LYS 120 N 5.39 1.42 -2.25 4.92 4.76 -1.26 -4.76 118.16 126.38 3knn n LYS 120 Ca -0.02 0.50 -0.43 0.00 -2.87 0.00 0.00 58.31 55.50 3knn n LYS 120 Cb 0.51 -1.96 -0.02 0.00 -1.84 0.00 0.00 35.03 31.72 3knn n LYS 120 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3knn s LYS 121 N -1.06 3.77 0.27 1.97 2.20 -1.26 -4.95 119.74 120.67 3knn s LYS 121 Ca 0.64 1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 57.34 3knn s LYS 121 Cb -0.73 -3.99 -0.14 0.00 -1.51 0.00 0.00 37.83 31.46 3knn s LYS 121 CO 0.56 -1.31 1.19 -0.35 -0.36 0.00 0.00 175.35 175.08 3knn n PRO 122 N 7.65 1.64 -1.53 4.03 -0.04 -1.26 -4.92 135.00 140.57 3knn n PRO 122 Ca 0.17 0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 63.80 3knn n PRO 122 Cb 0.46 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 3knn n PRO 122 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3knn n LYS 123 N 1.18 0.93 0.00 0.54 3.00 -1.26 -4.92 118.16 117.63 3knn n LYS 123 Ca 0.10 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 3knn n LYS 123 Cb 0.31 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.56 3knn n LYS 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3knn n GLU 124 N 0.27 0.00 0.00 1.64 -0.58 -1.26 -4.58 120.64 116.14 3knn n GLU 124 Ca 0.11 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 3knn n GLU 124 Cb 0.40 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 3knn n GLU 124 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knn n ALA 125 N -1.62 1.99 0.00 0.62 0.00 -1.26 -5.31 120.51 114.93 3knn n ALA 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 125 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3knn n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50