#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n ARG 3 N 0.00 0.00 0.00 1.61 -4.01 -1.26 -4.66 116.66 108.34 3knn n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3knn n ARG 3 Cb 0.00 -0.18 0.00 0.00 -3.04 0.00 0.00 32.46 29.24 3knn n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3knn n TYR 4 N -0.83 0.00 -2.42 2.89 9.36 -1.26 -4.99 117.16 119.92 3knn n TYR 4 Ca 0.00 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.19 3knn n TYR 4 Cb 0.28 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.97 3knn n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3knn n ILE 5 N -0.64-10.76 -3.34 2.97 5.41 -1.26 -5.04 119.36 106.70 3knn n ILE 5 Ca 0.00 2.00 0.00 0.00 1.00 0.00 0.00 62.75 65.75 3knn n ILE 5 Cb 0.00 -6.14 0.00 0.00 -0.71 0.00 0.00 39.64 32.79 3knn n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knn n GLY 6 N 1.08 -0.63 3.66 7.39 0.00 -1.26 -5.09 105.19 110.34 3knn n GLY 6 Ca -0.22 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 3knn n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knn s PRO 7 N -2.00 4.15 0.00 1.61 0.02 -1.26 -4.92 135.00 132.61 3knn s PRO 7 Ca 0.00 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3knn s PRO 7 Cb 0.00 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 30.41 3knn s PRO 7 CO 0.00 -0.92 0.00 0.28 -0.33 0.00 0.00 177.00 176.03 3knn n VAL 8 N 5.53 0.00 -1.52 3.83 0.31 -1.26 -4.73 118.33 120.50 3knn n VAL 8 Ca 0.19 0.17 -0.35 0.00 -0.01 0.00 0.00 64.34 64.34 3knn n VAL 8 Cb 0.42 -0.98 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 3knn n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knn n ARG 10 N 8.18 0.00 -0.09 0.00 1.85 -1.26 -4.80 116.66 120.54 3knn n ARG 10 Ca 0.58 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.29 3knn n ARG 10 Cb 0.21 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.47 3knn n ARG 10 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3knn n LEU 11 N 0.00 1.30 -0.21 2.89 4.77 0.34 -3.59 117.00 122.49 3knn n LEU 11 Ca 0.00 0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 3knn n LEU 11 Cb 0.00 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.08 3knn n LEU 11 CO 0.00 0.66 0.93 0.00 -1.33 0.00 0.00 177.39 177.64 3knn n ARG 13 N -5.12 0.68 0.00 0.00 1.74 -1.24 -4.04 116.66 108.69 3knn n ARG 13 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3knn n ARG 13 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 3knn n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3knn n ARG 14 N -0.27 0.00 -0.35 5.56 3.00 -1.25 -3.61 116.66 119.74 3knn n ARG 14 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 3knn n ARG 14 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.63 3knn n ARG 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3knn n GLU 15 N 0.00 2.52 0.00 -0.14 4.71 -1.24 -4.92 120.64 121.57 3knn n GLU 15 Ca 0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.16 55.78 3knn n GLU 15 Cb 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 3knn n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knn n GLY 16 N 0.46 0.37 2.23 0.62 0.00 -1.24 -4.74 105.19 102.91 3knn n GLY 16 Ca 0.12 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.47 3knn n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3knn n VAL 17 N 0.00 0.63 -1.70 1.61 3.14 -1.26 -4.41 118.33 116.35 3knn n VAL 17 Ca 0.00 -0.16 -0.39 0.00 -2.96 0.00 0.00 64.34 60.84 3knn n VAL 17 Cb 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 32.82 3knn n VAL 17 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3knn n LYS 18 N 0.81 1.43 -4.28 1.45 4.81 -1.26 -4.73 118.16 116.40 3knn n LYS 18 Ca 0.12 0.53 -0.27 0.00 -0.87 0.00 0.00 58.31 57.82 3knn n LYS 18 Cb 0.11 -2.42 -0.17 0.00 0.02 0.00 0.00 35.03 32.57 3knn n LYS 18 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3knn s LEU 19 N -2.89 1.56 -0.70 3.14 2.96 -1.26 -5.01 118.68 116.48 3knn s LEU 19 Ca 0.73 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 54.04 3knn s LEU 19 Cb -0.43 -0.98 0.07 0.00 0.50 0.00 0.00 46.19 45.35 3knn s LEU 19 CO 0.49 -0.03 1.02 -0.31 -1.32 0.00 0.00 176.35 176.20 3knn s TYR 20 N 1.18 2.66 0.00 5.38 1.51 -1.26 -4.52 117.35 122.30 3knn s TYR 20 Ca -0.04 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 3knn s TYR 20 Cb -0.14 -4.34 0.00 0.00 -0.11 0.00 0.00 41.96 37.37 3knn s TYR 20 CO -0.03 -1.69 0.33 1.47 -1.11 0.00 0.00 175.55 174.52 3knn n LEU 21 N 7.81 0.09 0.00 -1.29 -0.00 -1.26 -4.78 117.00 117.57 3knn n LEU 21 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 3knn n LEU 21 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3knn n LEU 21 CO 0.64 0.02 0.00 0.29 -0.00 0.00 0.00 177.39 178.34 3knn n LYS 22 N -0.02 0.00 0.00 1.47 4.76 -1.26 -4.73 118.16 118.38 3knn n LYS 22 Ca 0.00 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3knn n LYS 22 Cb 0.39 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 3knn n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knn n GLY 23 N 1.51 1.02 0.33 0.72 0.00 -1.26 -4.48 105.19 103.03 3knn n GLY 23 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.21 3knn n GLY 23 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3knn h GLU 24 N 0.00 0.03 0.00 1.61 4.39 -1.99 -2.31 114.58 116.31 3knn h GLU 24 Ca 0.00 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.41 3knn h GLU 24 Cb 0.00 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 3knn h GLU 24 CO 0.00 0.02 -1.72 -2.13 -1.16 0.00 0.00 179.01 174.02 3knn n ARG 25 N -5.49 0.63 0.00 2.33 0.63 -1.26 -4.29 116.66 109.21 3knn n ARG 25 Ca 0.18 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 3knn n ARG 25 Cb 0.60 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.73 3knn n ARG 25 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knn n TYR 27 N 0.47 0.00 -1.56 0.00 4.02 -1.26 -4.88 117.16 113.95 3knn n TYR 27 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.41 3knn n TYR 27 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 3knn n TYR 27 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3knn n SER 28 N -1.84 2.81 -4.01 7.72 7.64 0.18 -4.61 113.62 121.52 3knn n SER 28 Ca 0.00 0.53 -0.00 0.00 1.01 0.00 0.00 58.87 60.40 3knn n SER 28 Cb 0.21 -1.37 -0.00 0.00 -1.01 0.00 0.00 64.21 62.04 3knn n SER 28 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3knn n PRO 29 N 7.86 0.00 0.00 1.43 -0.04 -1.26 -3.19 135.00 139.80 3knn n PRO 29 Ca 0.33 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3knn n PRO 29 Cb 0.30 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 3knn n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3knn n LYS 30 N 4.41 0.00 0.00 0.54 2.85 -1.26 -4.95 118.16 119.75 3knn n LYS 30 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3knn n LYS 30 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 3knn n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3knn n ALA 32 N -0.34 0.00 -0.01 0.00 0.00 -1.26 -4.38 120.51 114.53 3knn n ALA 32 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3knn n ALA 32 Cb 0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 3knn n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3knn h MET 33 N 0.00 0.00 -0.80 0.00 1.85 -1.82 0.16 114.93 114.32 3knn h MET 33 Ca 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.95 3knn h MET 33 Cb 0.00 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 31.94 3knn h MET 33 CO 0.00 0.53 0.18 -1.91 -0.40 0.00 0.00 176.91 175.31 3knn n GLU 34 N -3.07 3.20 0.00 0.39 2.13 -1.26 -3.44 120.64 118.59 3knn n GLU 34 Ca -0.14 -2.33 0.00 0.00 0.66 0.00 0.00 57.16 55.35 3knn n GLU 34 Cb 1.02 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.72 3knn n GLU 34 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3knn n ARG 35 N 0.02 0.17 -3.40 5.31 1.74 -1.16 -4.75 116.66 114.59 3knn n ARG 35 Ca 0.30 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.16 3knn n ARG 35 Cb 1.12 -0.56 -0.09 0.00 -1.02 0.00 0.00 32.46 31.91 3knn n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knn s ARG 36 N -1.13 0.60 0.24 5.56 0.52 0.56 -5.02 118.95 120.28 3knn s ARG 36 Ca 0.00 -1.02 0.15 0.00 -0.52 0.00 0.00 55.73 54.35 3knn s ARG 36 Cb 0.00 -0.94 0.84 0.00 0.52 0.00 0.00 34.95 35.37 3knn s ARG 36 CO 0.00 -1.20 1.46 -0.35 0.02 0.00 0.00 175.30 175.23 3knn n PRO 37 N 4.19 0.10 -3.19 3.54 -0.04 -1.22 -4.44 135.00 133.94 3knn n PRO 37 Ca 0.11 0.59 -0.30 0.00 -0.04 0.00 0.00 63.50 63.86 3knn n PRO 37 Cb 0.42 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.98 3knn n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3knn s TYR 38 N -3.38 3.45 0.98 0.54 -0.85 -1.26 -4.75 117.35 112.08 3knn s TYR 38 Ca -0.02 0.88 -0.11 0.00 -0.52 0.00 0.00 57.07 57.31 3knn s TYR 38 Cb 0.04 -2.29 0.18 0.00 0.38 0.00 0.00 41.96 40.27 3knn s TYR 38 CO 0.14 0.10 1.10 -2.14 -1.52 0.00 0.00 175.55 173.23 3knn s PRO 39 N -3.40 0.55 0.00 -3.49 0.02 -1.23 -4.65 135.00 122.79 3knn s PRO 39 Ca 0.48 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3knn s PRO 39 Cb -0.11 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.72 3knn s PRO 39 CO 0.27 -2.86 0.00 -0.35 -0.33 0.00 0.00 177.00 173.73 3knn n PRO 40 N -4.36 -0.66 -0.80 5.54 -0.04 -1.26 -4.24 135.00 129.18 3knn n PRO 40 Ca 0.09 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 3knn n PRO 40 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 3knn n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knn n GLY 41 N 0.00 -3.17 0.39 0.55 0.00 -1.26 -2.89 105.19 98.81 3knn n GLY 41 Ca 0.00 -1.18 0.17 0.00 0.00 0.00 0.00 46.02 45.01 3knn n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3knn h GLN 42 N -0.54 0.49 -0.02 1.61 4.15 -2.02 0.77 115.11 119.54 3knn h GLN 42 Ca -0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3knn h GLN 42 Cb 0.69 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3knn h GLN 42 CO 0.03 0.32 0.00 0.72 -1.93 0.00 0.00 178.83 177.97 3knn n HIS 43 N -4.56 0.01 -0.02 3.99 8.25 -1.26 -4.59 115.22 117.04 3knn n HIS 43 Ca 0.20 -0.01 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 3knn n HIS 43 Cb 0.65 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.79 3knn n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knn n GLY 44 N 1.20 -0.07 3.03 -1.41 0.00 0.27 -3.57 105.19 104.64 3knn n GLY 44 Ca 0.18 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3knn n GLY 44 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3knn s GLN 45 N -4.35 2.31 0.00 1.61 -2.07 -1.26 -3.57 119.66 112.33 3knn s GLN 45 Ca -0.01 -0.72 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3knn s GLN 45 Cb 0.02 -2.31 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 3knn s GLN 45 CO 0.05 -0.31 0.00 1.17 -1.32 0.00 0.00 175.29 174.88 3knn n LYS 46 N 4.71 0.00 -1.86 9.60 4.81 -1.23 -5.05 118.16 129.13 3knn n LYS 46 Ca -0.17 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.86 3knn n LYS 46 Cb 0.49 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.53 3knn n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3knn n ARG 47 N 0.00 3.45 -1.09 1.64 3.00 -1.26 -4.94 116.66 117.47 3knn n ARG 47 Ca 0.00 -2.90 -0.39 0.00 -0.00 0.00 0.00 57.85 54.55 3knn n ARG 47 Cb 0.00 -3.01 -0.11 0.00 0.00 0.00 0.00 32.46 29.34 3knn n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knn n ALA 48 N 4.44 0.20 -2.63 5.13 0.00 -1.26 -4.80 120.51 121.60 3knn n ALA 48 Ca 0.55 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 3knn n ALA 48 Cb 0.33 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3knn n ALA 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3knn s ARG 49 N 5.95 3.99 0.00 0.00 3.00 -1.26 -4.91 118.95 125.72 3knn s ARG 49 Ca 1.01 0.91 0.00 0.00 -1.00 0.00 0.00 55.73 56.65 3knn s ARG 49 Cb -1.08 -3.76 0.00 0.00 0.00 0.00 0.00 34.95 30.11 3knn s ARG 49 CO 0.45 -0.94 0.00 -2.13 0.00 0.00 0.00 175.30 172.68 3knn n ARG 50 N 6.89 0.00 -2.48 5.12 0.00 -1.26 -4.83 116.66 120.10 3knn n ARG 50 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.61 3knn n ARG 50 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 3knn n ARG 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3knn s PRO 51 N 0.00 3.83 0.76 -0.14 0.02 -1.26 -5.05 135.00 133.16 3knn s PRO 51 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 61.00 62.38 3knn s PRO 51 Cb 0.00 -2.23 0.06 0.00 0.02 0.00 0.00 34.50 32.35 3knn s PRO 51 CO 0.00 -0.42 1.12 -1.54 -0.33 0.00 0.00 177.00 175.83 3knn s SER 52 N -1.78 4.84 0.25 2.53 1.04 -1.26 -4.85 113.70 114.47 3knn s SER 52 Ca 0.65 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.88 3knn s SER 52 Cb -0.20 -1.44 0.43 0.00 0.10 0.00 0.00 66.02 64.91 3knn s SER 52 CO 0.24 -1.68 1.82 0.44 0.98 0.00 0.00 173.24 175.04 3knn h ASP 53 N -0.85 0.75 -0.12 7.02 5.19 -2.01 -2.02 116.42 124.39 3knn h ASP 53 Ca -0.45 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 3knn h ASP 53 Cb 1.30 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 3knn h ASP 53 CO 0.64 0.43 0.00 0.22 -3.12 0.00 0.00 179.24 177.41 3knn h TYR 54 N 0.86 0.22 -0.40 4.55 3.20 -2.00 -2.85 116.97 120.56 3knn h TYR 54 Ca 0.42 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.29 3knn h TYR 54 Cb 0.38 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3knn h TYR 54 CO -0.04 0.44 -0.31 0.00 -1.64 0.00 0.00 178.16 176.61 3knn h ALA 55 N 0.75 -0.40 -0.64 1.82 0.00 -1.75 0.40 119.26 119.44 3knn h ALA 55 Ca 0.03 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3knn h ALA 55 Cb 0.35 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 3knn h ALA 55 CO 0.01 -0.59 -0.38 0.28 0.00 0.00 0.00 179.25 178.56 3knn h VAL 56 N -0.09 0.11 -0.87 0.00 2.07 -1.41 -0.49 116.25 115.58 3knn h VAL 56 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3knn h VAL 56 Cb 0.26 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 3knn h VAL 56 CO -0.42 0.00 0.54 0.03 0.02 0.00 0.00 177.57 177.74 3knn h ARG 57 N -0.17 0.97 0.83 1.57 3.08 -1.10 -1.16 114.38 118.41 3knn h ARG 57 Ca 0.22 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3knn h ARG 57 Cb 0.56 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3knn h ARG 57 CO -0.72 0.64 -0.40 1.25 -1.07 0.00 0.00 179.97 179.67 3knn h LEU 58 N 1.00 -0.95 -0.96 3.04 7.12 0.56 -1.72 115.31 123.40 3knn h LEU 58 Ca 0.37 0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.59 3knn h LEU 58 Cb 0.14 0.24 -0.10 0.00 -0.53 0.00 0.00 40.66 40.41 3knn h LEU 58 CO -0.16 -0.67 0.57 0.03 -0.13 0.00 0.00 178.44 178.07 3knn h ARG 59 N -1.13 0.72 -0.22 1.25 2.47 -0.96 0.26 114.38 116.76 3knn h ARG 59 Ca -0.11 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.46 3knn h ARG 59 Cb 0.86 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 3knn h ARG 59 CO 0.19 0.48 -0.29 1.49 0.56 0.00 0.00 179.97 182.39 3knn h GLU 60 N 0.74 0.45 -0.08 0.04 4.57 -1.08 0.16 114.58 119.38 3knn h GLU 60 Ca 0.54 -0.18 -0.15 0.00 -1.18 0.00 0.00 59.36 58.39 3knn h GLU 60 Cb 0.81 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3knn h GLU 60 CO -0.37 0.70 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.38 3knn h LYS 61 N 0.39 0.51 -0.54 1.92 3.11 0.07 -2.81 116.57 119.22 3knn h LYS 61 Ca 0.05 -0.45 -0.01 0.00 -2.81 0.00 0.00 60.65 57.44 3knn h LYS 61 Cb 0.71 0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.02 3knn h LYS 61 CO 0.05 1.08 0.32 1.96 -2.81 0.00 0.00 179.45 180.05 3knn h GLN 62 N 0.09 0.75 0.00 1.90 1.08 -0.48 -0.04 115.11 118.41 3knn h GLN 62 Ca -0.05 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3knn h GLN 62 Cb 1.21 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3knn h GLN 62 CO 0.11 0.55 0.00 1.17 -0.95 0.00 0.00 178.83 179.72 3knn n LYS 63 N -4.64 0.00 -0.07 1.46 4.81 0.54 0.11 118.16 120.37 3knn n LYS 63 Ca 0.03 0.81 -0.07 0.00 -0.87 0.00 0.00 58.31 58.21 3knn n LYS 63 Cb 0.07 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.61 3knn n LYS 63 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3knn h LEU 64 N 0.00 -0.67 -0.09 3.14 5.85 -1.45 -0.99 115.31 121.10 3knn h LEU 64 Ca 0.00 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3knn h LEU 64 Cb 0.00 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3knn h LEU 64 CO 0.00 -0.24 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.66 3knn h ARG 65 N -0.18 -0.07 0.00 1.25 2.43 -0.49 0.22 114.38 117.53 3knn h ARG 65 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3knn h ARG 65 Cb 0.42 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3knn h ARG 65 CO -0.40 -0.05 0.35 0.00 -1.51 0.00 0.00 179.97 178.36 3knn h ARG 66 N -0.08 0.00 0.09 0.20 3.08 0.12 -1.85 114.38 115.95 3knn h ARG 66 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3knn h ARG 66 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3knn h ARG 66 CO -0.12 0.00 -0.04 0.82 -1.07 0.00 0.00 179.97 179.55 3knn h ILE 67 N 0.00 1.14 0.00 2.04 2.04 0.79 -2.73 117.51 120.79 3knn h ILE 67 Ca 0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3knn h ILE 67 Cb 0.69 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3knn h ILE 67 CO 0.00 0.23 0.00 -1.22 0.00 0.00 0.00 178.15 177.16 3knn n TYR 68 N -4.93 0.00 -4.26 1.37 4.02 -0.71 -4.85 117.16 107.80 3knn n TYR 68 Ca -0.09 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.44 3knn n TYR 68 Cb 0.25 -0.03 -0.08 0.00 -0.02 0.00 0.00 39.34 39.46 3knn n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knn n GLY 69 N 0.31 -0.29 3.98 2.72 0.00 -1.03 -4.91 105.19 105.97 3knn n GLY 69 Ca 0.00 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3knn n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3knn s ILE 70 N -3.45 1.98 0.05 -0.61 2.07 -1.25 -4.65 121.20 115.35 3knn s ILE 70 Ca 0.53 -1.19 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 3knn s ILE 70 Cb -0.31 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.07 3knn s ILE 70 CO 0.94 0.00 0.17 -0.94 -1.91 0.00 0.00 174.94 173.20 3knn s SER 71 N -4.51 6.14 0.43 4.50 1.04 -1.26 -4.75 113.70 115.30 3knn s SER 71 Ca 0.51 0.22 0.19 0.00 0.48 0.00 0.00 55.95 57.34 3knn s SER 71 Cb -0.04 -1.85 1.12 0.00 0.10 0.00 0.00 66.02 65.36 3knn s SER 71 CO 0.32 0.19 1.87 -0.08 0.98 0.00 0.00 173.24 176.52 3knn h GLU 72 N 3.31 0.35 0.52 4.02 4.57 -1.98 0.21 114.58 125.58 3knn h GLU 72 Ca -0.46 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 3knn h GLU 72 Cb 1.17 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3knn h GLU 72 CO 0.72 0.23 -0.25 -0.09 -1.18 0.00 0.00 179.01 178.44 3knn h ARG 73 N 0.36 -0.68 -0.91 1.92 9.65 -1.98 0.46 114.38 123.20 3knn h ARG 73 Ca 0.45 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.51 3knn h ARG 73 Cb 1.18 0.15 -0.09 0.00 -1.39 0.00 0.00 29.97 29.82 3knn h ARG 73 CO -0.15 -0.45 0.53 1.96 2.80 0.00 0.00 179.97 184.66 3knn h GLN 74 N -1.19 0.76 0.24 0.20 4.20 -1.85 -0.16 115.11 117.31 3knn h GLN 74 Ca -0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3knn h GLN 74 Cb 0.54 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3knn h GLN 74 CO 0.12 0.50 -0.14 0.35 -0.67 0.00 0.00 178.83 178.99 3knn h PHE 75 N 0.78 -0.37 -0.98 2.96 3.57 -0.55 -1.85 116.94 120.50 3knn h PHE 75 Ca 0.48 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 62.27 3knn h PHE 75 Cb 0.60 0.13 -0.15 0.00 2.79 0.00 0.00 35.95 39.32 3knn h PHE 75 CO -0.05 -0.21 0.50 -0.09 -2.23 0.00 0.00 178.31 176.23 3knn h ARG 76 N -0.35 0.31 -0.31 1.11 9.65 0.34 0.30 114.38 125.43 3knn h ARG 76 Ca -0.03 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3knn h ARG 76 Cb 0.28 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 3knn h ARG 76 CO 0.04 0.21 0.15 -0.91 2.80 0.00 0.00 179.97 182.25 3knn h ASN 77 N 0.32 0.40 0.00 -3.80 2.35 -0.89 -0.83 115.58 113.14 3knn h ASN 77 Ca 0.69 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.31 3knn h ASN 77 Cb 1.51 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.77 3knn h ASN 77 CO -0.61 0.41 -0.00 -0.07 -1.65 0.00 0.00 177.43 175.51 3knn h LEU 78 N 0.36 0.00 0.18 1.61 3.38 0.42 -1.50 115.31 119.76 3knn h LEU 78 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3knn h LEU 78 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3knn h LEU 78 CO -0.01 0.00 -0.08 0.15 0.09 0.00 0.00 178.44 178.58 3knn h PHE 79 N 0.00 -0.22 -1.55 1.13 3.57 -0.50 -3.11 116.94 116.25 3knn h PHE 79 Ca -0.00 -0.01 0.50 0.00 3.53 0.00 0.00 57.97 61.99 3knn h PHE 79 Cb 0.00 0.07 -0.12 0.00 2.79 0.00 0.00 35.95 38.70 3knn h PHE 79 CO 0.00 -0.14 1.04 0.93 -2.23 0.00 0.00 178.31 177.92 3knn h GLU 80 N -0.83 0.02 0.12 1.11 4.39 -0.69 0.55 114.58 119.25 3knn h GLU 80 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3knn h GLU 80 Cb 0.18 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3knn h GLU 80 CO 0.04 0.01 -0.06 1.49 -1.16 0.00 0.00 179.01 179.33 3knn h GLU 81 N 0.02 -0.16 0.00 2.33 4.81 -1.36 -2.97 114.58 117.25 3knn h GLU 81 Ca 0.88 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.13 3knn h GLU 81 Cb 3.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 32.49 3knn h GLU 81 CO -0.31 0.27 0.16 0.00 -0.73 0.00 0.00 179.01 178.40 3knn h ALA 82 N 0.10 1.16 0.03 2.92 0.00 0.16 0.10 119.26 123.73 3knn h ALA 82 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3knn h ALA 82 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 3knn h ALA 82 CO 0.03 -0.16 -1.10 0.77 0.00 0.00 0.00 179.25 178.79 3knn h SER 83 N 0.00 0.88 1.38 0.00 0.02 -1.27 -3.12 113.55 111.44 3knn h SER 83 Ca 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3knn h SER 83 Cb 0.32 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3knn h SER 83 CO 0.00 1.54 -0.05 0.29 -1.14 0.00 0.00 176.83 177.46 3knn n LYS 84 N -3.83 0.24 -3.30 3.45 4.76 0.16 -4.71 118.16 114.94 3knn n LYS 84 Ca -0.11 0.19 -0.38 0.00 -2.87 0.00 0.00 58.31 55.13 3knn n LYS 84 Cb 0.91 -1.77 -0.06 0.00 -1.84 0.00 0.00 35.03 32.27 3knn n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3knn s LYS 85 N -3.10 4.16 0.53 1.97 -0.14 -0.09 -5.07 119.74 118.00 3knn s LYS 85 Ca 0.11 0.69 -0.08 0.00 -1.36 0.00 0.00 55.97 55.33 3knn s LYS 85 Cb 0.13 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 3knn s LYS 85 CO 0.60 0.64 0.88 0.15 -0.76 0.00 0.00 175.35 176.86 3knn s LYS 86 N -1.12 3.58 0.00 1.68 -0.14 -1.26 -4.80 119.74 117.68 3knn s LYS 86 Ca 0.28 0.43 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 3knn s LYS 86 Cb -0.19 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.70 3knn s LYS 86 CO 0.18 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.85 3knn n GLY 87 N -2.38 0.25 0.00 -3.33 0.00 -1.26 -4.84 105.19 93.63 3knn n GLY 87 Ca 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3knn n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knn n VAL 88 N 0.83 0.00 -0.34 1.61 0.31 -1.26 -4.69 118.33 114.79 3knn n VAL 88 Ca 0.00 0.00 0.31 0.00 -0.01 0.00 0.00 64.34 64.64 3knn n VAL 88 Cb 0.00 0.00 0.65 0.00 -0.91 0.00 0.00 33.84 33.58 3knn n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3knn h THR 89 N 0.00 0.42 0.43 2.52 2.02 -1.87 -1.13 112.91 115.29 3knn h THR 89 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3knn h THR 89 Cb 0.00 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3knn h THR 89 CO 0.00 0.03 -0.28 1.23 0.37 0.00 0.00 175.52 176.87 3knn h GLY 90 N 0.16 -0.91 -0.01 2.16 0.00 -1.92 -2.42 103.07 100.12 3knn h GLY 90 Ca 0.61 0.38 0.02 0.00 0.00 0.00 0.00 47.33 48.34 3knn h GLY 90 CO -0.15 -0.31 -0.53 1.76 0.00 0.00 0.00 176.54 177.31 3knn h SER 91 N -0.67 -1.65 -0.76 0.19 0.02 -1.58 -2.94 113.55 106.16 3knn h SER 91 Ca -0.06 0.19 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 3knn h SER 91 Cb 0.54 0.63 -0.12 0.00 0.14 0.00 0.00 62.40 63.59 3knn h SER 91 CO 0.05 -0.51 -0.47 0.58 -1.14 0.00 0.00 176.83 175.33 3knn h VAL 92 N -0.66 0.04 -0.92 2.27 2.07 -1.52 0.18 116.25 117.72 3knn h VAL 92 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.69 3knn h VAL 92 Cb 0.71 0.04 -0.16 0.00 -1.52 0.00 0.00 31.29 30.36 3knn h VAL 92 CO -0.36 0.00 -0.30 0.33 0.02 0.00 0.00 177.57 177.25 3knn n PHE 93 N -5.38 0.15 0.13 1.57 -0.00 -0.91 0.19 117.46 113.21 3knn n PHE 93 Ca 0.03 1.12 -0.13 0.00 -0.00 0.00 0.00 57.45 58.48 3knn n PHE 93 Cb 0.34 -0.92 -0.06 0.00 -0.00 0.00 0.00 39.48 38.84 3knn n PHE 93 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3knn h LEU 94 N 0.00 -0.62 -1.87 -2.13 3.38 -0.69 0.29 115.31 113.68 3knn h LEU 94 Ca 0.37 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.52 3knn h LEU 94 Cb 0.60 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3knn h LEU 94 CO -0.92 -0.32 0.51 1.23 0.09 0.00 0.00 178.44 179.03 3knn h GLY 95 N -0.44 0.00 0.55 0.83 0.00 0.37 1.99 103.07 106.37 3knn h GLY 95 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.00 3knn h GLY 95 CO -0.10 0.00 -1.91 1.04 0.00 0.00 0.00 176.54 175.57 3knn n LEU 96 N -3.54 2.54 -0.17 3.11 4.32 0.14 -3.08 117.00 120.33 3knn n LEU 96 Ca 0.07 0.24 -0.04 0.00 -0.02 0.00 0.00 56.01 56.27 3knn n LEU 96 Cb 0.68 -1.11 0.16 0.00 -1.62 0.00 0.00 43.42 41.53 3knn n LEU 96 CO 0.25 0.79 0.99 -0.07 -1.22 0.00 0.00 177.39 178.13 3knn h LEU 97 N -0.06 0.86 0.00 2.23 3.38 0.23 -1.51 115.31 120.44 3knn h LEU 97 Ca -0.41 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.41 3knn h LEU 97 Cb 1.95 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3knn h LEU 97 CO 0.05 0.82 0.00 1.21 0.09 0.00 0.00 178.44 180.61 3knn n GLU 98 N -4.27 0.22 -0.07 1.13 4.07 0.65 -3.04 120.64 119.32 3knn n GLU 98 Ca 0.05 0.08 0.12 0.00 -0.06 0.00 0.00 57.16 57.35 3knn n GLU 98 Cb 0.22 -1.50 0.17 0.00 -0.06 0.00 0.00 31.44 30.27 3knn n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3knn n SER 99 N -1.36 3.06 -4.72 4.31 7.64 -0.57 -4.47 113.62 117.52 3knn n SER 99 Ca 0.09 -1.97 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 3knn n SER 99 Cb 0.21 -0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 3knn n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3knn s ARG 100 N -1.81 4.26 0.25 1.43 0.52 -1.17 -0.51 118.95 121.91 3knn s ARG 100 Ca 0.33 2.25 -0.13 0.00 -0.52 0.00 0.00 55.73 57.66 3knn s ARG 100 Cb 0.21 -3.19 0.33 0.00 0.52 0.00 0.00 34.95 32.83 3knn s ARG 100 CO 0.31 -0.54 1.57 1.25 0.02 0.00 0.00 175.30 177.91 3knn h LEU 101 N 6.73 -1.06 -0.31 2.53 5.85 -0.17 -0.85 115.31 128.03 3knn h LEU 101 Ca -0.43 0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3knn h LEU 101 Cb 1.21 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 3knn h LEU 101 CO 0.89 -0.30 0.18 -2.24 -0.34 0.00 0.00 178.44 176.63 3knn h ASP 102 N -0.02 0.30 -0.14 1.25 2.03 -1.82 -1.80 116.42 116.22 3knn h ASP 102 Ca 0.39 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.74 3knn h ASP 102 Cb 0.64 -0.06 -0.07 0.00 -0.83 0.00 0.00 39.33 39.01 3knn h ASP 102 CO -0.93 0.22 -0.38 -1.13 -1.03 0.00 0.00 179.24 175.98 3knn h ASN 103 N 0.37 -1.20 -0.58 4.15 -1.24 -1.45 -0.38 115.58 115.25 3knn h ASN 103 Ca 0.12 0.17 0.12 0.00 0.71 0.00 0.00 56.30 57.41 3knn h ASN 103 Cb -0.01 0.50 -0.11 0.00 0.73 0.00 0.00 38.32 39.43 3knn h ASN 103 CO -0.05 -0.40 -0.10 0.58 -1.29 0.00 0.00 177.43 176.17 3knn h VAL 104 N -0.45 0.45 -0.60 2.57 2.07 -1.30 0.91 116.25 119.90 3knn h VAL 104 Ca 0.09 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3knn h VAL 104 Cb 0.60 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 3knn h VAL 104 CO -0.39 0.01 -0.37 0.58 0.02 0.00 0.00 177.57 177.41 3knn h VAL 105 N 0.03 0.13 -0.15 2.57 2.07 -0.22 0.66 116.25 121.34 3knn h VAL 105 Ca 0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 3knn h VAL 105 Cb 0.45 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3knn h VAL 105 CO -0.57 0.00 0.06 0.22 0.02 0.00 0.00 177.57 177.30 3knn h TYR 106 N -0.18 0.23 -0.15 1.57 3.20 0.30 -2.61 116.97 119.33 3knn h TYR 106 Ca 0.22 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.11 3knn h TYR 106 Cb 0.56 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3knn h TYR 106 CO -0.67 0.32 0.24 0.00 -1.64 0.00 0.00 178.16 176.41 3knn h ARG 107 N 0.08 0.00 -0.02 1.82 2.47 0.28 0.23 114.38 119.23 3knn h ARG 107 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 3knn h ARG 107 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3knn h ARG 107 CO -0.00 0.00 -0.11 1.28 0.56 0.00 0.00 179.97 181.70 3knn n LEU 108 N -3.46 2.19 0.00 3.04 4.32 0.21 -4.61 117.00 118.68 3knn n LEU 108 Ca 0.01 -0.73 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 3knn n LEU 108 Cb 0.35 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.14 3knn n LEU 108 CO 0.23 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 3knn n GLY 109 N 1.31 3.26 0.25 -0.72 0.00 0.80 -4.90 105.19 105.19 3knn n GLY 109 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 3knn n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3knn h PHE 110 N 0.00 0.00 -2.86 1.61 -1.00 -1.72 -3.38 116.94 109.58 3knn h PHE 110 Ca 0.00 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.64 3knn h PHE 110 Cb 0.00 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 39.30 3knn h PHE 110 CO 0.00 0.00 -0.34 0.00 -1.61 0.00 0.00 178.31 176.36 3knn s ALA 111 N -3.53 -0.85 0.59 2.45 0.00 -1.26 -4.83 121.76 114.33 3knn s ALA 111 Ca -0.00 1.11 0.29 0.00 0.00 0.00 0.00 51.96 53.35 3knn s ALA 111 Cb 0.01 -0.66 1.60 0.00 0.00 0.00 0.00 23.12 24.07 3knn s ALA 111 CO 0.04 -0.19 2.02 -0.39 0.00 0.00 0.00 175.76 177.24 3knn h VAL 112 N 5.02 0.40 -2.88 0.00 -1.51 -1.93 -3.44 116.25 111.91 3knn h VAL 112 Ca -0.31 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.10 3knn h VAL 112 Cb 1.18 0.75 -0.16 0.00 -2.13 0.00 0.00 31.29 30.93 3knn h VAL 112 CO 0.30 0.00 -0.01 -0.94 -1.23 0.00 0.00 177.57 175.70 3knn s SER 113 N -5.49 -0.39 0.10 4.19 1.04 -1.26 -4.31 113.70 107.59 3knn s SER 113 Ca -0.04 0.10 -0.19 0.00 0.48 0.00 0.00 55.95 56.30 3knn s SER 113 Cb 0.15 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 3knn s SER 113 CO 0.53 -0.71 1.17 0.54 0.98 0.00 0.00 173.24 175.74 3knn n ARG 114 N 0.40 -0.27 -0.12 4.02 5.12 -1.26 -0.67 116.66 123.88 3knn n ARG 114 Ca -0.18 1.15 -0.05 0.00 -1.93 0.00 0.00 57.85 56.84 3knn n ARG 114 Cb 0.60 -1.70 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 3knn n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knn h ARG 115 N 0.00 0.26 -0.68 5.56 3.08 -1.95 0.15 114.38 120.80 3knn h ARG 115 Ca 0.10 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.20 3knn h ARG 115 Cb 0.25 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3knn h ARG 115 CO -0.58 0.17 0.45 0.37 -1.07 0.00 0.00 179.97 179.32 3knn h GLN 116 N 0.27 0.65 -0.99 0.04 4.15 -1.57 0.34 115.11 118.00 3knn h GLN 116 Ca 0.19 -0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.68 3knn h GLN 116 Cb 0.20 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 27.66 3knn h GLN 116 CO -0.21 0.43 0.63 0.00 -1.93 0.00 0.00 178.83 177.75 3knn h ALA 117 N 1.63 1.53 0.81 3.38 0.00 0.16 -2.55 119.26 124.23 3knn h ALA 117 Ca 0.30 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3knn h ALA 117 Cb 0.31 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3knn h ALA 117 CO -0.10 0.24 -0.39 -0.09 0.00 0.00 0.00 179.25 178.91 3knn h ARG 118 N 1.00 -1.05 -0.93 0.00 2.43 0.28 -2.77 114.38 113.33 3knn h ARG 118 Ca 0.48 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.87 3knn h ARG 118 Cb 0.45 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 3knn h ARG 118 CO -0.24 -0.69 0.59 0.37 -1.51 0.00 0.00 179.97 178.48 3knn h GLN 119 N -1.14 0.74 -0.76 0.20 4.15 -1.30 0.77 115.11 117.76 3knn h GLN 119 Ca -0.11 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.29 3knn h GLN 119 Cb 0.85 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3knn h GLN 119 CO 0.18 0.49 0.49 -0.07 -1.93 0.00 0.00 178.83 177.99 3knn h LEU 120 N 0.76 0.81 -0.10 -2.39 3.38 -1.35 0.57 115.31 116.98 3knn h LEU 120 Ca 0.48 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 3knn h LEU 120 Cb 0.71 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3knn h LEU 120 CO -0.24 0.56 -0.14 0.58 0.09 0.00 0.00 178.44 179.29 3knn h VAL 121 N 0.96 1.38 -0.02 1.22 2.07 -0.80 -2.53 116.25 118.53 3knn h VAL 121 Ca 0.30 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 3knn h VAL 121 Cb -0.01 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3knn h VAL 121 CO -0.10 0.39 -0.50 -0.09 0.02 0.00 0.00 177.57 177.29 3knn h ARG 122 N -0.16 0.04 -0.35 1.57 1.12 -0.63 -2.88 114.38 113.09 3knn h ARG 122 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 3knn h ARG 122 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 3knn h ARG 122 CO 0.03 0.53 0.00 0.72 -3.11 0.00 0.00 179.97 178.14 3knn n HIS 123 N -3.95 0.22 -0.56 2.20 8.25 0.20 -4.87 115.22 116.71 3knn n HIS 123 Ca -0.02 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3knn n HIS 123 Cb 0.52 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3knn n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knn n GLY 124 N 0.53 1.70 0.26 -1.41 0.00 -1.09 -4.92 105.19 100.26 3knn n GLY 124 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3knn n GLY 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3knn h HIS 125 N 0.00 0.00 -2.49 1.61 3.86 -1.66 -3.45 115.15 113.02 3knn h HIS 125 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3knn h HIS 125 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3knn h HIS 125 CO 0.00 0.09 -0.44 0.42 0.86 0.00 0.00 177.93 178.86 3knn s ILE 126 N -3.73 5.30 0.01 2.45 -1.09 -1.17 -0.41 121.20 122.56 3knn s ILE 126 Ca 0.00 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 57.48 3knn s ILE 126 Cb 0.10 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3knn s ILE 126 CO 0.58 -0.17 0.47 0.28 -1.23 0.00 0.00 174.94 174.87 3knn s THR 127 N -1.82 0.04 -0.24 2.92 -1.32 -0.80 -3.08 115.64 111.33 3knn s THR 127 Ca 0.35 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 3knn s THR 127 Cb -0.10 -0.89 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 3knn s THR 127 CO 0.29 -0.17 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.71 3knn s VAL 128 N -1.95 2.20 -1.03 5.08 1.01 -1.24 -1.15 120.40 123.33 3knn s VAL 128 Ca -0.08 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 3knn s VAL 128 Cb -0.02 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3knn s VAL 128 CO 0.02 0.12 0.83 0.59 0.00 0.00 0.00 175.10 176.66 3knn n ASN 129 N 4.49 -6.31 -0.47 3.32 3.02 0.61 -4.50 115.26 115.42 3knn n ASN 129 Ca -0.16 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 3knn n ASN 129 Cb 0.44 -4.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 3knn n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3knn n GLY 130 N -1.48 0.07 2.69 7.41 0.00 -1.26 -4.92 105.19 107.70 3knn n GLY 130 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3knn n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knn n ARG 131 N -0.93 -1.00 -0.28 1.61 1.74 -1.26 -4.87 116.66 111.67 3knn n ARG 131 Ca 0.00 1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 57.80 3knn n ARG 131 Cb 0.00 -0.73 0.29 0.00 -1.02 0.00 0.00 32.46 31.00 3knn n ARG 131 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3knn n ARG 132 N 2.17 -4.39 -3.64 5.56 1.85 -1.26 -3.66 116.66 113.29 3knn n ARG 132 Ca 0.00 -1.29 -0.14 0.00 -1.00 0.00 0.00 57.85 55.41 3knn n ARG 132 Cb 0.06 -1.97 -0.07 0.00 -1.05 0.00 0.00 32.46 29.43 3knn n ARG 132 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3knn s VAL 133 N -2.17 0.04 0.00 8.89 1.01 -1.18 -4.76 120.40 122.22 3knn s VAL 133 Ca 0.68 -0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.51 3knn s VAL 133 Cb -0.15 -0.87 0.30 0.00 0.00 0.00 0.00 36.38 35.66 3knn s VAL 133 CO 0.59 -0.18 1.11 -0.90 0.00 0.00 0.00 175.10 175.71 3knn n ASP 134 N 0.79 0.54 -4.27 3.32 3.85 -1.24 -4.54 116.55 115.00 3knn n ASP 134 Ca -0.19 -1.97 -0.38 0.00 -0.71 0.00 0.00 54.79 51.54 3knn n ASP 134 Cb 0.58 -0.19 -0.12 0.00 -1.35 0.00 0.00 41.12 40.04 3knn n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3knn s LEU 135 N 0.00 4.27 0.00 -2.12 1.02 -1.26 -4.08 118.68 116.51 3knn s LEU 135 Ca 0.24 -1.13 0.02 0.00 0.02 0.00 0.00 54.13 53.28 3knn s LEU 135 Cb 0.27 -1.86 0.08 0.00 0.02 0.00 0.00 46.19 44.70 3knn s LEU 135 CO -0.12 -0.32 0.99 -2.65 0.02 0.00 0.00 176.35 174.28 3knn n PRO 136 N 4.80 0.01 -0.03 1.29 -0.02 -1.26 -1.67 135.00 138.13 3knn n PRO 136 Ca -0.13 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3knn n PRO 136 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.30 3knn n PRO 136 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3knn n SER 137 N -1.43 0.55 -4.46 2.55 7.64 -1.26 -3.56 113.62 113.64 3knn n SER 137 Ca 0.01 0.25 -0.50 0.00 1.01 0.00 0.00 58.87 59.64 3knn n SER 137 Cb 0.02 0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 3knn n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3knn n TYR 138 N -2.84 0.15 -3.32 1.43 -0.00 -0.67 -4.44 117.16 107.46 3knn n TYR 138 Ca -0.18 0.92 -0.42 0.00 -0.00 0.00 0.00 57.90 58.22 3knn n TYR 138 Cb 0.97 -2.06 -0.09 0.00 -0.00 0.00 0.00 39.34 38.17 3knn n TYR 138 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 3knn s ARG 139 N -0.79 3.35 0.05 2.98 3.52 -1.26 0.34 118.95 127.14 3knn s ARG 139 Ca 0.70 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 55.47 3knn s ARG 139 Cb -0.96 -3.88 -0.07 0.00 -1.56 0.00 0.00 34.95 28.47 3knn s ARG 139 CO 0.56 -0.71 1.57 0.08 -0.81 0.00 0.00 175.30 175.99 3knn s VAL 140 N 2.18 3.26 0.07 7.11 1.01 0.33 -4.95 120.40 129.41 3knn s VAL 140 Ca 0.14 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.81 3knn s VAL 140 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3knn s VAL 140 CO 0.13 -0.00 0.21 -0.13 0.00 0.00 0.00 175.10 175.31 3knn s ARG 141 N 2.55 3.41 0.27 2.72 0.52 -1.26 -4.87 118.95 122.28 3knn s ARG 141 Ca 0.70 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 3knn s ARG 141 Cb -0.37 -3.01 -0.12 0.00 0.52 0.00 0.00 34.95 31.97 3knn s ARG 141 CO 0.30 0.59 1.64 -2.14 0.02 0.00 0.00 175.30 175.72 3knn s PRO 142 N -2.61 4.12 0.00 3.54 0.02 -1.26 -2.37 135.00 136.45 3knn s PRO 142 Ca 0.35 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.96 3knn s PRO 142 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3knn s PRO 142 CO 0.28 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3knn n GLY 143 N 2.75 0.52 3.91 0.52 0.00 -0.88 -5.03 105.19 106.99 3knn n GLY 143 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3knn n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knn s ASP 144 N -2.01 6.21 -0.24 1.61 1.01 -1.00 -4.92 116.67 117.33 3knn s ASP 144 Ca 0.00 0.84 -0.03 0.00 0.71 0.00 0.00 52.55 54.08 3knn s ASP 144 Cb 0.00 -2.17 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3knn s ASP 144 CO 0.00 -0.58 -0.05 -0.70 0.21 0.00 0.00 175.17 174.05 3knn s GLU 145 N -4.71 3.05 -0.34 8.23 2.12 -1.26 -2.24 118.70 123.55 3knn s GLU 145 Ca 0.47 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 3knn s GLU 145 Cb -0.10 -3.01 0.04 0.00 0.26 0.00 0.00 34.13 31.32 3knn s GLU 145 CO 0.44 -0.33 0.10 0.42 -0.54 0.00 0.00 175.26 175.35 3knn s ILE 146 N 1.39 3.74 0.00 -3.70 1.09 -0.71 -0.29 121.20 122.72 3knn s ILE 146 Ca 0.03 -1.15 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 3knn s ILE 146 Cb -0.16 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 3knn s ILE 146 CO -0.04 -0.17 0.00 0.00 -0.10 0.00 0.00 174.94 174.63 3knn n ALA 147 N 4.80 0.00 -3.09 9.38 0.00 -0.30 -1.86 120.51 129.45 3knn n ALA 147 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 3knn n ALA 147 Cb 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.77 3knn n ALA 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3knn s VAL 148 N -0.73 3.71 0.09 0.00 1.01 -0.98 -1.91 120.40 121.59 3knn s VAL 148 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3knn s VAL 148 Cb 0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 36.38 33.63 3knn s VAL 148 CO 0.00 0.47 1.86 0.00 0.00 0.00 0.00 175.10 177.43 3knn n ALA 149 N 3.90 1.91 -0.42 5.51 0.00 0.45 -4.64 120.51 127.21 3knn n ALA 149 Ca -0.18 0.29 0.37 0.00 0.00 0.00 0.00 53.44 53.93 3knn n ALA 149 Cb 0.52 -2.60 0.64 0.00 0.00 0.00 0.00 19.45 18.02 3knn n ALA 149 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3knn h GLU 150 N 8.97 0.03 -0.92 0.00 9.09 -1.97 1.11 114.58 130.90 3knn h GLU 150 Ca -0.47 -0.00 0.05 0.00 0.05 0.00 0.00 59.36 58.99 3knn h GLU 150 Cb 1.23 -0.01 -0.06 0.00 -1.65 0.00 0.00 28.75 28.27 3knn h GLU 150 CO 0.94 0.02 0.60 -0.22 0.05 0.00 0.00 179.01 180.40 3knn h LYS 151 N 0.03 1.05 0.00 1.06 3.11 -1.95 -0.86 116.57 119.02 3knn h LYS 151 Ca 0.86 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 58.56 3knn h LYS 151 Cb 2.59 -0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 33.57 3knn h LYS 151 CO -0.54 0.70 -0.79 0.77 -2.81 0.00 0.00 179.45 176.77 3knn h SER 152 N 1.09 0.00 -0.05 4.20 0.02 0.83 -3.37 113.55 116.26 3knn h SER 152 Ca 0.38 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.35 3knn h SER 152 Cb 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3knn h SER 152 CO -0.14 0.29 0.95 -0.09 -1.14 0.00 0.00 176.83 176.70 3knn h ARG 153 N 0.00 0.00 0.00 3.45 2.43 0.73 0.35 114.38 121.35 3knn h ARG 153 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3knn h ARG 153 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3knn h ARG 153 CO 0.03 0.00 -1.69 0.09 -1.51 0.00 0.00 179.97 176.89 3knn n ASN 154 N -2.58 0.29 -4.70 -3.80 3.02 -1.26 -4.80 115.26 101.44 3knn n ASN 154 Ca 0.01 -0.26 -0.62 0.00 -0.03 0.00 0.00 54.58 53.68 3knn n ASN 154 Cb 0.97 1.67 -0.08 0.00 -0.61 0.00 0.00 39.78 41.73 3knn n ASN 154 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knn n LEU 155 N -2.06 1.53 0.00 3.41 4.77 0.12 -4.76 117.00 120.02 3knn n LEU 155 Ca -0.02 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 3knn n LEU 155 Cb 0.50 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3knn n LEU 155 CO 0.45 -0.83 0.31 -0.62 -1.33 0.00 0.00 177.39 175.37 3knn n GLU 156 N 4.10 0.00 -0.12 3.23 4.71 -1.26 -1.21 120.64 130.10 3knn n GLU 156 Ca 0.27 0.14 -0.23 0.00 -0.01 0.00 0.00 57.16 57.34 3knn n GLU 156 Cb 0.04 -1.53 -0.09 0.00 -1.01 0.00 0.00 31.44 28.85 3knn n GLU 156 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3knn n LEU 157 N -1.08 1.91 -0.33 -4.62 7.94 -1.26 -3.56 117.00 116.00 3knn n LEU 157 Ca 0.00 0.39 0.30 0.00 -1.11 0.00 0.00 56.01 55.60 3knn n LEU 157 Cb 0.03 -0.87 0.65 0.00 0.53 0.00 0.00 43.42 43.77 3knn n LEU 157 CO 0.00 0.29 1.28 0.40 -1.11 0.00 0.00 177.39 178.25 3knn h ILE 158 N -1.00 0.43 0.56 1.96 1.08 -1.48 0.54 117.51 119.60 3knn h ILE 158 Ca -0.45 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 3knn h ILE 158 Cb 1.35 0.25 0.01 0.00 -3.07 0.00 0.00 36.82 35.36 3knn h ILE 158 CO -0.27 0.03 -0.27 0.03 -0.69 0.00 0.00 178.15 176.98 3knn h ARG 159 N 0.16 -0.73 0.02 2.37 2.47 -1.55 -2.20 114.38 114.93 3knn h ARG 159 Ca 0.60 0.05 0.02 0.00 -1.26 0.00 0.00 59.98 59.38 3knn h ARG 159 Cb 1.99 0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 30.43 3knn h ARG 159 CO -0.15 -0.48 -0.49 1.96 0.56 0.00 0.00 179.97 181.37 3knn h GLN 160 N -0.80 -0.61 -0.19 0.04 4.20 -1.03 0.52 115.11 117.25 3knn h GLN 160 Ca -0.08 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3knn h GLN 160 Cb 0.58 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3knn h GLN 160 CO 0.13 -0.41 0.46 -0.91 -0.67 0.00 0.00 178.83 177.43 3knn h ASN 161 N -0.63 0.00 0.01 1.46 4.21 -1.14 -1.51 115.58 117.98 3knn h ASN 161 Ca 0.01 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 57.13 3knn h ASN 161 Cb 0.67 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.80 3knn h ASN 161 CO -0.31 0.00 -2.44 0.18 -1.29 0.00 0.00 177.43 173.57 3knn n LEU 162 N -3.18 2.49 0.00 1.61 4.77 -0.48 -4.01 117.00 118.20 3knn n LEU 162 Ca 0.03 -0.10 0.04 0.00 -0.03 0.00 0.00 56.01 55.95 3knn n LEU 162 Cb 0.56 -0.70 0.20 0.00 -2.33 0.00 0.00 43.42 41.15 3knn n LEU 162 CO 0.18 0.86 0.56 1.21 -1.33 0.00 0.00 177.39 178.88 3knn n GLU 163 N -3.19 0.10 -0.01 3.23 4.07 0.17 -0.17 120.64 124.85 3knn n GLU 163 Ca -0.43 0.22 0.10 0.00 -0.06 0.00 0.00 57.16 56.99 3knn n GLU 163 Cb 1.02 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.75 3knn n GLU 163 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3knn n ALA 164 N -1.30 3.24 1.46 4.31 0.00 -0.74 -3.99 120.51 123.48 3knn n ALA 164 Ca 0.04 -0.52 0.15 0.00 0.00 0.00 0.00 53.44 53.10 3knn n ALA 164 Cb 0.06 -0.73 0.69 0.00 0.00 0.00 0.00 19.45 19.47 3knn n ALA 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3knn n MET 165 N -2.05 0.61 -1.78 0.00 2.81 0.76 -4.73 117.12 112.74 3knn n MET 165 Ca -0.02 -0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.32 3knn n MET 165 Cb 0.50 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 3knn n MET 165 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3knn s LYS 166 N -2.48 4.15 -1.40 0.03 -0.14 -1.16 -1.36 119.74 117.39 3knn s LYS 166 Ca 0.30 2.55 0.00 0.00 -1.36 0.00 0.00 55.97 57.46 3knn s LYS 166 Cb 0.20 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 3knn s LYS 166 CO 0.46 -0.72 0.00 0.41 -0.76 0.00 0.00 175.35 174.74 3knn n GLY 167 N 3.93 1.38 3.47 -3.33 0.00 -1.26 -4.99 105.19 104.39 3knn n GLY 167 Ca 0.15 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3knn n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knn s ARG 168 N -3.07 2.43 -0.21 1.61 3.52 -0.46 -5.12 118.95 117.65 3knn s ARG 168 Ca 0.00 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 3knn s ARG 168 Cb 0.00 -2.34 -0.05 0.00 -1.56 0.00 0.00 34.95 31.00 3knn s ARG 168 CO 0.00 0.61 0.14 0.15 -0.81 0.00 0.00 175.30 175.39 3knn s LYS 169 N -0.84 4.15 0.45 5.12 1.02 -1.26 -5.01 119.74 123.36 3knn s LYS 169 Ca 0.12 -0.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.87 3knn s LYS 169 Cb -0.11 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 3knn s LYS 169 CO 0.01 0.23 0.68 0.08 -0.92 0.00 0.00 175.35 175.43 3knn s VAL 170 N 0.56 4.16 0.19 3.17 1.01 -1.26 -5.03 120.40 123.21 3knn s VAL 170 Ca 0.08 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 3knn s VAL 170 Cb -0.12 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 3knn s VAL 170 CO -0.00 -0.40 0.90 0.61 0.00 0.00 0.00 175.10 176.21 3knn n GLY 171 N -2.09 -0.66 0.00 4.51 0.00 -1.26 -4.81 105.19 100.87 3knn n GLY 171 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3knn n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knn n PRO 172 N 1.22 0.00 0.00 1.61 -0.02 -1.26 -0.72 135.00 135.83 3knn n PRO 172 Ca 0.15 0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3knn n PRO 172 Cb 0.25 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 3knn n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3knn n TRP 173 N -1.16 0.00 -4.33 6.00 2.14 -1.26 -4.92 117.44 113.91 3knn n TRP 173 Ca 0.00 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.40 3knn n TRP 173 Cb 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.51 3knn n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3knn n LEU 174 N -1.02 0.00 -3.46 5.67 4.77 0.10 -1.53 117.00 121.54 3knn n LEU 174 Ca 0.05 -1.71 0.01 0.00 -0.03 0.00 0.00 56.01 54.33 3knn n LEU 174 Cb 0.31 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 3knn n LEU 174 CO 0.32 -0.27 0.56 -0.94 -1.33 0.00 0.00 177.39 175.74 3knn s SER 175 N -2.54 -0.66 -0.13 -1.43 1.04 -1.04 -4.79 113.70 104.15 3knn s SER 175 Ca 0.02 0.92 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 3knn s SER 175 Cb -0.00 1.72 -0.04 0.00 0.10 0.00 0.00 66.02 67.80 3knn s SER 175 CO 0.01 -0.13 0.08 -0.22 0.98 0.00 0.00 173.24 173.96 3knn s LEU 176 N 2.42 4.01 -0.77 2.42 2.96 -1.26 -1.07 118.68 127.40 3knn s LEU 176 Ca -0.04 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3knn s LEU 176 Cb -0.07 -1.98 0.27 0.00 0.50 0.00 0.00 46.19 44.92 3knn s LEU 176 CO -0.18 0.33 0.99 -0.67 -1.32 0.00 0.00 176.35 175.51 3knn n ASP 177 N 2.52 4.66 -0.30 3.68 -0.08 0.16 -4.97 116.55 122.22 3knn n ASP 177 Ca -0.18 -3.46 0.03 0.00 -1.51 0.00 0.00 54.79 49.67 3knn n ASP 177 Cb 0.54 -0.85 0.09 0.00 2.34 0.00 0.00 41.12 43.23 3knn n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3knn n VAL 178 N 0.91 -0.36 0.37 5.18 0.31 -1.26 -0.49 118.33 122.99 3knn n VAL 178 Ca 0.29 1.85 -0.19 0.00 -0.01 0.00 0.00 64.34 66.28 3knn n VAL 178 Cb 0.38 -2.52 -0.10 0.00 -0.91 0.00 0.00 33.84 30.69 3knn n VAL 178 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3knn h GLU 179 N 0.00 -1.05 -0.09 5.55 5.08 -1.93 -2.42 114.58 119.73 3knn h GLU 179 Ca 0.35 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3knn h GLU 179 Cb 0.55 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3knn h GLU 179 CO -0.82 -0.70 0.00 0.41 -1.00 0.00 0.00 179.01 176.91 3knn n GLY 180 N -1.58 -0.07 3.28 -3.84 0.00 0.36 -4.80 105.19 98.53 3knn n GLY 180 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3knn n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knn n MET 181 N -0.24 -2.64 -3.90 1.61 2.81 -0.91 -4.88 117.12 108.96 3knn n MET 181 Ca 0.00 0.29 -0.09 0.00 -1.81 0.00 0.00 57.70 56.09 3knn n MET 181 Cb 0.02 -4.91 -0.05 0.00 -0.71 0.00 0.00 33.22 27.58 3knn n MET 181 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3knn s LYS 182 N -5.89 1.43 0.25 0.03 -2.85 -1.19 -2.32 119.74 109.20 3knn s LYS 182 Ca 0.34 -1.10 -0.01 0.00 -1.00 0.00 0.00 55.97 54.20 3knn s LYS 182 Cb -0.19 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 3knn s LYS 182 CO 0.42 -0.59 0.35 0.41 0.10 0.00 0.00 175.35 176.04 3knn n GLY 183 N -0.34 2.41 2.96 0.59 0.00 -0.78 0.39 105.19 110.43 3knn n GLY 183 Ca -0.06 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 3knn n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knn s LYS 184 N -2.57 0.31 -1.29 1.61 1.02 -0.23 -1.74 119.74 116.86 3knn s LYS 184 Ca 0.21 -0.37 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 3knn s LYS 184 Cb -0.01 -0.16 0.15 0.00 -0.52 0.00 0.00 37.83 37.30 3knn s LYS 184 CO 0.15 0.03 1.85 0.34 -0.92 0.00 0.00 175.35 176.80 3knn n PHE 185 N 2.33 3.26 0.00 3.18 7.35 -0.95 -2.50 117.46 130.12 3knn n PHE 185 Ca -0.18 -2.87 0.00 0.00 -0.76 0.00 0.00 57.45 53.64 3knn n PHE 185 Cb 0.57 -2.04 0.00 0.00 0.35 0.00 0.00 39.48 38.36 3knn n PHE 185 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3knn n LEU 186 N 4.34 0.00 0.00 -2.13 4.77 -0.58 -2.07 117.00 121.33 3knn n LEU 186 Ca 0.41 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 3knn n LEU 186 Cb 0.37 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3knn n LEU 186 CO 0.80 -0.13 0.00 -2.11 -1.33 0.00 0.00 177.39 174.62 3knn n ARG 187 N -1.53 0.15 -2.64 3.23 1.85 -0.87 -3.64 116.66 113.20 3knn n ARG 187 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 3knn n ARG 187 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3knn n ARG 187 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3knn s LEU 188 N 0.00 4.27 -0.88 2.89 1.43 -1.26 -4.82 118.68 120.32 3knn s LEU 188 Ca 0.00 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 54.53 3knn s LEU 188 Cb 0.00 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.43 3knn s LEU 188 CO 0.00 -0.45 2.32 -0.81 0.23 0.00 0.00 176.35 177.64 3knn n PRO 189 N 4.84 0.31 -1.72 1.29 -0.04 -1.26 -4.75 135.00 133.67 3knn n PRO 189 Ca 0.09 -0.38 -0.65 0.00 -0.04 0.00 0.00 63.50 62.52 3knn n PRO 189 Cb 0.49 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.47 3knn n PRO 189 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3knn n ASP 190 N 12.33 1.48 -0.27 3.54 2.03 -1.26 -4.69 116.55 129.71 3knn n ASP 190 Ca 0.57 1.14 0.24 0.00 0.52 0.00 0.00 54.79 57.25 3knn n ASP 190 Cb 0.29 -0.95 0.41 0.00 -0.72 0.00 0.00 41.12 40.15 3knn n ASP 190 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3knn n ARG 191 N 4.50 -0.03 -0.25 -0.67 3.00 -1.26 0.14 116.66 122.10 3knn n ARG 191 Ca 0.31 0.82 -0.00 0.00 -0.00 0.00 0.00 57.85 58.98 3knn n ARG 191 Cb -0.01 -1.57 0.12 0.00 0.00 0.00 0.00 32.46 30.99 3knn n ARG 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3knn h GLU 192 N 0.00 0.67 0.00 -0.14 4.57 -1.99 -2.01 114.58 115.68 3knn h GLU 192 Ca 0.55 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 3knn h GLU 192 Cb 1.69 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.12 3knn h GLU 192 CO -0.36 0.44 0.00 -0.25 -1.18 0.00 0.00 179.01 177.67 3knn n ASP 193 N -4.79 0.00 -4.82 1.04 8.00 0.38 -4.75 116.55 111.61 3knn n ASP 193 Ca 0.10 -0.73 -0.27 0.00 0.71 0.00 0.00 54.79 54.60 3knn n ASP 193 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 3knn n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3knn s LEU 194 N -1.65 3.88 0.00 0.64 2.01 -0.76 -4.96 118.68 117.84 3knn s LEU 194 Ca 0.17 -0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.23 3knn s LEU 194 Cb 0.08 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.79 3knn s LEU 194 CO 0.13 0.08 0.00 0.00 1.01 0.00 0.00 176.35 177.57 3knn n ALA 195 N -0.29 0.98 -0.04 4.21 0.00 -1.26 -5.06 120.51 119.05 3knn n ALA 195 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3knn n ALA 195 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 3knn n ALA 195 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knn n LEU 196 N -0.66 0.01 -2.49 0.00 4.32 -1.26 -4.58 117.00 112.34 3knn n LEU 196 Ca 0.00 0.03 -0.08 0.00 -0.02 0.00 0.00 56.01 55.94 3knn n LEU 196 Cb 0.00 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 41.72 3knn n LEU 196 CO 0.00 -0.03 1.25 -0.81 -1.22 0.00 0.00 177.39 176.58 3knn n PRO 197 N 0.06 1.06 -4.16 3.23 -0.04 -1.26 -4.71 135.00 129.18 3knn n PRO 197 Ca 0.01 -0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 62.73 3knn n PRO 197 Cb 0.00 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 3knn n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knn s VAL 198 N 2.51 0.38 -0.57 0.52 1.01 -1.26 -4.96 120.40 118.03 3knn s VAL 198 Ca 0.30 -1.90 0.04 0.00 0.00 0.00 0.00 61.98 60.42 3knn s VAL 198 Cb 0.13 -1.84 0.17 0.00 0.00 0.00 0.00 36.38 34.84 3knn s VAL 198 CO -0.01 -0.70 0.42 0.21 0.00 0.00 0.00 175.10 175.02 3knn s ASN 199 N -3.04 3.43 0.31 3.32 2.47 -1.26 -5.00 114.94 115.17 3knn s ASN 199 Ca 0.17 -3.48 0.23 0.00 0.42 0.00 0.00 52.86 50.20 3knn s ASN 199 Cb 0.07 -1.13 1.04 0.00 -1.45 0.00 0.00 41.25 39.78 3knn s ASN 199 CO -0.02 -0.13 1.08 -1.84 -3.72 0.00 0.00 177.10 172.46 3knn n GLU 200 N 2.41 -0.02 -0.34 0.43 0.00 -1.26 0.07 120.64 121.92 3knn n GLU 200 Ca 0.23 0.86 0.19 0.00 0.00 0.00 0.00 57.16 58.44 3knn n GLU 200 Cb 0.40 -1.71 0.43 0.00 0.00 0.00 0.00 31.44 30.57 3knn n GLU 200 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3knn h GLN 201 N 0.00 0.51 0.00 3.44 1.08 -1.97 1.33 115.11 119.50 3knn h GLN 201 Ca 0.61 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.78 3knn h GLN 201 Cb 2.01 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.32 3knn h GLN 201 CO -0.30 0.33 0.00 -0.07 -0.95 0.00 0.00 178.83 177.85 3knn h LEU 202 N 0.52 0.00 0.09 1.46 3.38 -0.76 -0.88 115.31 119.13 3knn h LEU 202 Ca 0.61 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.26 3knn h LEU 202 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 3knn h LEU 202 CO -0.38 0.00 -1.78 0.58 0.09 0.00 0.00 178.44 176.95 3knn h VAL 203 N 0.00 0.72 -0.94 1.22 2.07 0.15 -2.44 116.25 117.02 3knn h VAL 203 Ca 0.00 -2.30 0.07 0.00 0.82 0.00 0.00 66.70 65.29 3knn h VAL 203 Cb 0.41 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 3knn h VAL 203 CO 0.00 0.73 0.61 0.40 0.02 0.00 0.00 177.57 179.33 3knn h ILE 204 N -0.24 1.06 0.01 4.57 1.08 -0.49 -1.50 117.51 122.00 3knn h ILE 204 Ca -0.40 -0.36 -0.20 0.00 -0.39 0.00 0.00 64.86 63.51 3knn h ILE 204 Cb 1.83 -0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 3knn h ILE 204 CO 0.01 0.19 -0.94 -0.33 -0.69 0.00 0.00 178.15 176.39 3knn h GLU 205 N 1.06 0.02 -0.10 2.37 5.08 -1.28 -3.12 114.58 118.61 3knn h GLU 205 Ca 0.41 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.77 3knn h GLU 205 Cb 0.22 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3knn h GLU 205 CO -0.16 0.94 0.13 0.35 -1.00 0.00 0.00 179.01 179.27 3knn h PHE 206 N 0.01 0.00 -3.06 4.33 3.57 -0.76 -3.31 116.94 117.72 3knn h PHE 206 Ca -0.02 0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.75 3knn h PHE 206 Cb 1.65 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 40.18 3knn h PHE 206 CO 0.00 0.00 0.33 0.71 -2.23 0.00 0.00 178.31 177.13 3knn s TYR 207 N -4.56 3.30 0.00 0.41 1.51 -1.10 -2.91 117.35 114.00 3knn s TYR 207 Ca -0.05 -1.46 0.00 0.00 -1.01 0.00 0.00 57.07 54.55 3knn s TYR 207 Cb 0.15 -4.03 0.00 0.00 -0.11 0.00 0.00 41.96 37.97 3knn s TYR 207 CO 0.52 -1.25 0.00 0.43 -1.11 0.00 0.00 175.55 174.14 3knn n SER 208 N 5.57 0.00 0.00 2.29 7.64 -1.25 -5.00 113.62 122.87 3knn n SER 208 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3knn n SER 208 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3knn n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89