#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s ILE 9 N 0.00 -0.65 0.00 4.25 1.09 -1.26 -4.81 121.20 119.82 3knm s ILE 9 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 3knm s ILE 9 Cb 0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 3knm s ILE 9 CO 0.00 0.00 0.00 -0.81 -0.10 0.00 0.00 174.94 174.03 3knm n PRO 10 N 5.22 1.78 0.00 2.79 -0.04 -1.24 -5.07 135.00 138.43 3knm n PRO 10 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 3knm n PRO 10 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3knm n PRO 10 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3knm n VAL 11 N -0.28 0.00 -1.62 0.52 3.14 -1.26 -4.87 118.33 113.96 3knm n VAL 11 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3knm n VAL 11 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3knm n VAL 11 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3knm n PRO 12 N 0.00 2.69 0.00 1.45 -0.04 -1.26 -4.95 135.00 132.89 3knm n PRO 12 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3knm n PRO 12 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3knm n PRO 12 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3knm n LYS 13 N 0.00 0.00 -1.74 0.54 3.00 -1.26 -4.96 118.16 113.73 3knm n LYS 13 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 3knm n LYS 13 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3knm n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3knm n GLY 14 N 0.00 4.83 3.41 3.14 0.00 -1.26 -4.93 105.19 110.38 3knm n GLY 14 Ca 0.00 -2.05 -0.21 0.00 0.00 0.00 0.00 46.02 43.76 3knm n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knm s VAL 15 N -2.50 1.88 -0.50 1.61 -7.23 -1.26 -4.39 120.40 108.02 3knm s VAL 15 Ca 0.56 -2.22 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 3knm s VAL 15 Cb 0.33 -2.26 0.13 0.00 0.56 0.00 0.00 36.38 35.14 3knm s VAL 15 CO -0.21 -0.44 0.24 -0.44 -0.31 0.00 0.00 175.10 173.94 3knm s SER 16 N -3.41 4.30 -0.33 4.85 0.01 0.27 -4.95 113.70 114.43 3knm s SER 16 Ca 0.27 -2.91 -0.25 0.00 1.31 0.00 0.00 55.95 54.37 3knm s SER 16 Cb 0.00 -1.59 0.01 0.00 0.21 0.00 0.00 66.02 64.65 3knm s SER 16 CO 0.11 -0.25 0.87 -0.69 0.41 0.00 0.00 173.24 173.69 3knm s VAL 17 N -0.14 4.68 -0.18 3.43 1.01 -1.26 -2.44 120.40 125.50 3knm s VAL 17 Ca 0.17 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 3knm s VAL 17 Cb -0.25 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3knm s VAL 17 CO -0.01 -0.40 -0.13 -1.61 0.00 0.00 0.00 175.10 172.95 3knm s GLU 18 N 3.24 3.22 0.21 2.72 2.02 -1.15 -4.75 118.70 124.21 3knm s GLU 18 Ca 0.36 -0.73 -0.28 0.00 0.02 0.00 0.00 54.97 54.34 3knm s GLU 18 Cb -0.13 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 3knm s GLU 18 CO 0.15 -0.08 0.87 0.08 0.02 0.00 0.00 175.26 176.30 3knm s VAL 19 N 1.08 4.21 0.09 2.63 1.01 -1.26 -1.31 120.40 126.84 3knm s VAL 19 Ca -0.00 1.91 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 3knm s VAL 19 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3knm s VAL 19 CO -0.04 0.48 0.05 0.00 0.00 0.00 0.00 175.10 175.59 3knm s ALA 20 N -1.20 0.54 0.01 5.51 0.00 -0.37 -4.92 121.76 121.33 3knm s ALA 20 Ca 0.39 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3knm s ALA 20 Cb -0.24 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 3knm s ALA 20 CO 0.29 -0.45 0.89 -2.30 0.00 0.00 0.00 175.76 174.19 3knm n PRO 21 N -0.01 -0.02 -0.16 0.00 -0.02 -1.26 -2.74 135.00 130.79 3knm n PRO 21 Ca -0.10 0.89 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 3knm n PRO 21 Cb 0.62 -1.33 0.13 0.00 -0.02 0.00 0.00 33.50 32.90 3knm n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knm n GLY 22 N -1.01 3.65 2.79 -1.23 0.00 -1.26 -4.67 105.19 103.45 3knm n GLY 22 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3knm n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 23 N -0.49 0.54 -3.47 1.61 1.74 -1.11 0.11 116.66 115.59 3knm n ARG 23 Ca 0.11 -2.88 0.01 0.00 -0.77 0.00 0.00 57.85 54.33 3knm n ARG 23 Cb 0.53 1.81 -0.04 0.00 -1.02 0.00 0.00 32.46 33.75 3knm n ARG 23 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3knm s VAL 24 N -2.94 -0.71 -0.41 1.55 -7.23 -1.06 -1.23 120.40 108.37 3knm s VAL 24 Ca 0.23 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.26 3knm s VAL 24 Cb 0.01 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.99 3knm s VAL 24 CO 0.16 0.00 0.29 -0.54 -0.31 0.00 0.00 175.10 174.70 3knm s LYS 25 N 2.66 2.92 -0.21 4.82 1.02 -0.43 -0.30 119.74 130.22 3knm s LYS 25 Ca -0.02 -1.12 -0.29 0.00 0.02 0.00 0.00 55.97 54.56 3knm s LYS 25 Cb -0.09 -3.94 0.01 0.00 -0.52 0.00 0.00 37.83 33.28 3knm s LYS 25 CO -0.18 -0.80 1.06 0.08 -0.92 0.00 0.00 175.35 174.59 3knm s VAL 26 N 1.63 4.65 -0.04 3.17 1.01 0.12 -2.94 120.40 128.00 3knm s VAL 26 Ca 0.04 1.99 0.06 0.00 0.00 0.00 0.00 61.98 64.07 3knm s VAL 26 Cb -0.20 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 3knm s VAL 26 CO 0.08 -0.16 -0.24 -0.54 0.00 0.00 0.00 175.10 174.24 3knm s LYS 27 N 3.13 2.27 0.11 2.72 1.02 -1.02 -0.62 119.74 127.35 3knm s LYS 27 Ca 0.45 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 3knm s LYS 27 Cb -0.16 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.21 3knm s LYS 27 CO 0.08 0.40 0.68 0.41 -0.92 0.00 0.00 175.35 176.00 3knm n GLY 28 N 2.85 0.82 0.20 -3.33 0.00 -0.97 0.98 105.19 105.74 3knm n GLY 28 Ca -0.17 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 3knm n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3knm h PRO 29 N 0.00 -0.11 -0.38 1.61 0.11 -1.76 -1.74 132.00 129.72 3knm h PRO 29 Ca -0.18 0.01 0.11 0.00 0.11 0.00 0.00 66.00 66.05 3knm h PRO 29 Cb 0.78 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3knm h PRO 29 CO 0.24 -0.07 0.38 0.87 -0.21 0.00 0.00 178.00 179.20 3knm h LYS 30 N -0.11 0.00 0.00 1.05 1.79 -1.87 -3.47 116.57 113.95 3knm h LYS 30 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3knm h LYS 30 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3knm h LYS 30 CO -0.34 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.44 3knm n GLY 31 N -1.50 -0.66 3.66 3.86 0.00 -0.66 -4.96 105.19 104.94 3knm n GLY 31 Ca 0.06 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3knm n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knm s GLU 32 N -1.82 3.02 -0.04 1.61 2.12 -1.26 -2.29 118.70 120.04 3knm s GLU 32 Ca 0.00 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 3knm s GLU 32 Cb 0.00 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.62 3knm s GLU 32 CO 0.00 0.66 0.09 -0.51 -0.54 0.00 0.00 175.26 174.95 3knm s LEU 33 N -0.76 1.32 -0.08 2.70 1.43 0.21 -5.01 118.68 118.48 3knm s LEU 33 Ca 0.12 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3knm s LEU 33 Cb -0.11 0.22 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 3knm s LEU 33 CO 0.02 -0.08 0.17 -1.61 0.23 0.00 0.00 176.35 175.08 3knm s GLU 34 N 0.54 3.47 -0.31 1.70 2.02 -1.26 0.14 118.70 125.00 3knm s GLU 34 Ca -0.04 -0.14 0.03 0.00 0.02 0.00 0.00 54.97 54.83 3knm s GLU 34 Cb -0.06 -3.16 0.09 0.00 0.10 0.00 0.00 34.13 31.10 3knm s GLU 34 CO -0.02 0.74 0.03 0.08 0.02 0.00 0.00 175.26 176.11 3knm s VAL 35 N -1.12 1.94 0.40 2.63 1.01 0.59 -4.95 120.40 120.89 3knm s VAL 35 Ca 0.19 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 3knm s VAL 35 Cb -0.12 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3knm s VAL 35 CO 0.09 -0.48 1.36 -0.81 0.00 0.00 0.00 175.10 175.25 3knm n PRO 36 N 4.42 2.23 -3.94 2.72 -0.04 -1.26 -2.55 135.00 136.58 3knm n PRO 36 Ca -0.01 0.79 -0.13 0.00 -0.04 0.00 0.00 63.50 64.10 3knm n PRO 36 Cb 0.42 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 3knm n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knm s VAL 37 N -1.15 0.10 -0.01 0.52 1.01 0.31 -4.90 120.40 116.28 3knm s VAL 37 Ca 0.58 -0.04 -0.33 0.00 0.00 0.00 0.00 61.98 62.18 3knm s VAL 37 Cb -0.50 -0.10 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 3knm s VAL 37 CO 0.60 0.04 1.85 -0.24 0.00 0.00 0.00 175.10 177.35 3knm n SER 38 N 3.12 3.60 0.11 3.32 2.88 -1.26 -4.51 113.62 120.89 3knm n SER 38 Ca -0.13 0.98 0.07 0.00 -1.33 0.00 0.00 58.87 58.45 3knm n SER 38 Cb 0.59 -1.43 0.37 0.00 -0.75 0.00 0.00 64.21 62.99 3knm n SER 38 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3knm n PRO 39 N 6.26 0.09 0.00 -1.46 -0.02 -1.26 -0.21 135.00 138.39 3knm n PRO 39 Ca 0.21 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.40 3knm n PRO 39 Cb 0.32 -1.83 0.81 0.00 -0.02 0.00 0.00 33.50 32.78 3knm n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3knm n GLU 40 N -1.97 0.88 0.00 -0.52 1.02 -1.26 -4.46 120.64 114.32 3knm n GLU 40 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3knm n GLU 40 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3knm n GLU 40 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3knm n MET 41 N -0.99 0.00 -2.02 3.49 2.81 0.70 -4.39 117.12 116.73 3knm n MET 41 Ca 0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3knm n MET 41 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 3knm n MET 41 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3knm n ARG 42 N -0.21 0.00 -0.94 0.03 1.74 -1.25 -4.25 116.66 111.79 3knm n ARG 42 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3knm n ARG 42 Cb 0.00 -2.23 0.06 0.00 -1.02 0.00 0.00 32.46 29.27 3knm n ARG 42 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3knm n VAL 43 N -2.33 0.00 -4.32 1.55 0.24 -1.26 -4.71 118.33 107.50 3knm n VAL 43 Ca 0.00 -0.35 -0.25 0.00 -2.04 0.00 0.00 64.34 61.70 3knm n VAL 43 Cb 0.42 -0.17 -0.13 0.00 -1.47 0.00 0.00 33.84 32.49 3knm n VAL 43 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3knm s VAL 44 N -2.10 1.82 0.00 3.34 1.01 -1.20 -4.88 120.40 118.39 3knm s VAL 44 Ca 0.44 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 3knm s VAL 44 Cb -0.14 -1.64 -0.11 0.00 0.00 0.00 0.00 36.38 34.49 3knm s VAL 44 CO 0.76 -0.02 2.27 0.52 0.00 0.00 0.00 175.10 178.63 3knm n VAL 45 N 1.08 1.97 -0.14 2.92 0.31 -1.26 -3.41 118.33 119.80 3knm n VAL 45 Ca -0.19 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 3knm n VAL 45 Cb 0.53 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3knm n VAL 45 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3knm n GLU 46 N 2.11 0.21 0.00 5.55 0.00 -1.26 -4.91 120.64 122.33 3knm n GLU 46 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.33 3knm n GLU 46 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.00 3knm n GLU 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3knm n GLU 47 N -0.58 0.00 -0.45 3.44 4.71 -1.26 -3.82 120.64 122.68 3knm n GLU 47 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 3knm n GLU 47 Cb 0.00 0.00 0.23 0.00 -1.01 0.00 0.00 31.44 30.66 3knm n GLU 47 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knm n GLY 48 N 0.00 2.03 3.64 0.62 0.00 -1.26 -4.76 105.19 105.46 3knm n GLY 48 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3knm n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knm s VAL 49 N -1.88 0.00 -0.28 1.61 -7.23 -1.25 -4.78 120.40 106.59 3knm s VAL 49 Ca 0.31 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 3knm s VAL 49 Cb 0.22 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.16 3knm s VAL 49 CO 0.12 0.00 1.21 -0.69 -0.31 0.00 0.00 175.10 175.43 3knm s VAL 50 N 0.32 4.30 0.62 1.32 1.01 -1.26 -4.60 120.40 122.11 3knm s VAL 50 Ca 0.02 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.56 3knm s VAL 50 Cb -0.05 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.20 3knm s VAL 50 CO -0.08 -0.41 0.86 -0.13 0.00 0.00 0.00 175.10 175.33 3knm s ARG 51 N 3.85 2.11 -0.18 2.72 0.52 -1.22 -3.73 118.95 123.03 3knm s ARG 51 Ca 0.52 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3knm s ARG 51 Cb -0.16 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 3knm s ARG 51 CO 0.18 -1.04 0.01 0.08 0.02 0.00 0.00 175.30 174.55 3knm s VAL 52 N -2.84 4.24 0.00 3.52 1.01 -1.26 -3.24 120.40 121.83 3knm s VAL 52 Ca 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3knm s VAL 52 Cb -0.06 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3knm s VAL 52 CO 0.41 0.46 0.00 -0.62 0.00 0.00 0.00 175.10 175.35 3knm n GLU 53 N 3.75 0.00 -0.36 2.72 -0.58 -1.26 -4.92 120.64 119.99 3knm n GLU 53 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3knm n GLU 53 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 3knm n GLU 53 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3knm n ARG 54 N 0.00 0.00 0.00 3.49 3.00 -1.26 -5.00 116.66 116.89 3knm n ARG 54 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3knm n ARG 54 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.25 3knm n ARG 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3knm n PRO 55 N 1.58 0.01 -1.18 -0.14 -0.04 -1.26 -5.01 135.00 128.96 3knm n PRO 55 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 3knm n PRO 55 Cb 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.48 3knm n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3knm n SER 56 N 0.00 -4.23 -1.67 3.54 3.41 -1.26 -4.81 113.62 108.59 3knm n SER 56 Ca 0.00 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.02 3knm n SER 56 Cb 0.00 -0.84 0.04 0.00 -0.26 0.00 0.00 64.21 63.15 3knm n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3knm n ASP 57 N 2.67 5.25 -4.76 4.04 8.00 -1.26 -4.56 116.55 125.93 3knm n ASP 57 Ca 0.05 -2.78 -0.41 0.00 0.71 0.00 0.00 54.79 52.36 3knm n ASP 57 Cb 0.50 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 3knm n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3knm s GLU 58 N -1.27 4.44 0.17 -1.24 2.02 -1.26 -4.80 118.70 116.76 3knm s GLU 58 Ca 0.22 2.07 -0.15 0.00 0.02 0.00 0.00 54.97 57.12 3knm s GLU 58 Cb 0.17 -3.13 0.15 0.00 0.10 0.00 0.00 34.13 31.42 3knm s GLU 58 CO 0.01 -0.09 1.20 -2.13 0.02 0.00 0.00 175.26 174.27 3knm n ARG 59 N 1.27 -0.21 -0.15 1.61 3.00 -1.26 0.51 116.66 121.43 3knm n ARG 59 Ca 0.01 1.19 -0.04 0.00 -0.00 0.00 0.00 57.85 59.01 3knm n ARG 59 Cb 0.43 -1.76 0.16 0.00 0.00 0.00 0.00 32.46 31.28 3knm n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knm h ARG 60 N 0.00 0.89 0.74 -0.14 3.08 -1.97 -3.15 114.38 113.83 3knm h ARG 60 Ca 0.25 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3knm h ARG 60 Cb 0.44 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3knm h ARG 60 CO -0.76 0.81 -0.35 0.45 -1.07 0.00 0.00 179.97 179.04 3knm h HIS 61 N 0.85 -0.92 -0.67 3.04 3.86 -0.24 -2.91 115.15 118.16 3knm h HIS 61 Ca 0.18 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.44 3knm h HIS 61 Cb 0.34 0.30 -0.10 0.00 1.06 0.00 0.00 27.41 29.01 3knm h HIS 61 CO 0.02 -0.55 -0.55 0.87 0.86 0.00 0.00 177.93 178.58 3knm h LYS 62 N -1.13 -0.21 -0.61 2.45 1.57 -1.49 0.35 116.57 117.51 3knm h LYS 62 Ca -0.10 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.84 3knm h LYS 62 Cb 0.78 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.02 3knm h LYS 62 CO 0.17 -0.14 -0.06 0.43 -0.57 0.00 0.00 179.45 179.28 3knm n SER 63 N -5.34 -0.13 -0.01 0.86 7.64 -1.18 0.90 113.62 116.36 3knm n SER 63 Ca -0.00 1.04 -0.16 0.00 1.01 0.00 0.00 58.87 60.76 3knm n SER 63 Cb 0.31 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 63.05 3knm n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3knm h LEU 64 N 0.00 0.38 -0.05 -3.43 3.38 -0.17 -3.19 115.31 112.23 3knm h LEU 64 Ca 0.34 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3knm h LEU 64 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3knm h LEU 64 CO -0.60 1.10 -0.03 1.57 0.09 0.00 0.00 178.44 180.57 3knm n HIS 65 N -4.36 -0.02 -0.15 1.13 -0.00 0.26 -0.94 115.22 111.14 3knm n HIS 65 Ca -0.10 0.07 -0.04 0.00 0.46 0.00 0.00 57.72 58.11 3knm n HIS 65 Cb 0.59 -0.45 0.03 0.00 -0.12 0.00 0.00 29.99 30.04 3knm n HIS 65 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3knm h GLY 66 N 0.00 0.34 -0.20 1.57 0.00 -1.61 0.38 103.07 103.55 3knm h GLY 66 Ca 0.01 0.15 0.22 0.00 0.00 0.00 0.00 47.33 47.71 3knm h GLY 66 CO -0.05 -0.18 0.88 -2.00 0.00 0.00 0.00 176.54 175.20 3knm h LEU 67 N 0.00 0.00 0.00 3.11 5.85 -1.02 0.34 115.31 123.59 3knm h LEU 67 Ca 0.23 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.62 3knm h LEU 67 Cb 0.34 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3knm h LEU 67 CO -0.48 0.00 -2.23 0.41 -0.34 0.00 0.00 178.44 175.80 3knm n THR 68 N -3.43 1.24 -0.45 1.05 -1.04 0.06 -3.06 114.28 108.66 3knm n THR 68 Ca 0.16 -0.51 0.34 0.00 -2.04 0.00 0.00 64.05 62.01 3knm n THR 68 Cb 1.14 -1.19 0.54 0.00 -1.82 0.00 0.00 70.33 69.00 3knm n THR 68 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3knm n ARG 69 N -3.08 -0.01 0.00 -2.82 0.63 0.11 -2.33 116.66 109.17 3knm n ARG 69 Ca -0.37 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 3knm n ARG 69 Cb 0.93 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 32.11 3knm n ARG 69 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3knm n THR 70 N -3.54 0.00 0.00 5.15 -2.24 -0.89 -4.60 114.28 108.17 3knm n THR 70 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3knm n THR 70 Cb 1.31 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3knm n THR 70 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3knm n LEU 71 N 0.00 0.00 0.25 3.22 7.94 -0.99 0.29 117.00 127.71 3knm n LEU 71 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3knm n LEU 71 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3knm n LEU 71 CO 0.00 0.00 0.36 0.40 -1.11 0.00 0.00 177.39 177.04 3knm h ILE 72 N 0.00 0.00 -0.99 1.96 2.04 -1.79 -2.93 117.51 115.79 3knm h ILE 72 Ca 0.00 -0.23 0.36 0.00 1.00 0.00 0.00 64.86 65.99 3knm h ILE 72 Cb 0.00 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 35.91 3knm h ILE 72 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.65 3knm h ALA 73 N -1.47 1.96 -0.65 1.87 0.00 0.40 0.19 119.26 121.55 3knm h ALA 73 Ca -0.07 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3knm h ALA 73 Cb 0.50 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3knm h ALA 73 CO 0.11 -0.75 0.36 -0.91 0.00 0.00 0.00 179.25 178.07 3knm h ASN 74 N 0.14 0.54 -0.39 0.00 2.35 -1.37 -1.49 115.58 115.36 3knm h ASN 74 Ca 0.77 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 56.40 3knm h ASN 74 Cb 1.88 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 3knm h ASN 74 CO -0.71 0.35 -0.32 0.00 -1.65 0.00 0.00 177.43 175.10 3knm h ALA 75 N 1.34 0.64 -0.04 -0.83 0.00 -0.47 -1.91 119.26 117.98 3knm h ALA 75 Ca 0.29 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3knm h ALA 75 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3knm h ALA 75 CO -0.18 0.68 -0.11 0.28 0.00 0.00 0.00 179.25 179.92 3knm h VAL 76 N 0.78 0.00 -0.17 0.00 2.07 -0.76 1.13 116.25 119.29 3knm h VAL 76 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3knm h VAL 76 Cb 0.91 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3knm h VAL 76 CO 0.08 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.19 3knm h LYS 77 N -0.10 0.00 -0.32 1.57 1.79 -1.33 0.41 116.57 118.58 3knm h LYS 77 Ca 0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 3knm h LYS 77 Cb 0.13 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3knm h LYS 77 CO -0.10 0.00 -0.07 0.78 -1.08 0.00 0.00 179.45 178.98 3knm h GLY 78 N 0.00 0.56 -3.31 3.86 0.00 0.21 -2.10 103.07 102.30 3knm h GLY 78 Ca 0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 3knm h GLY 78 CO -0.00 0.34 0.13 -0.62 0.00 0.00 0.00 176.54 176.39 3knm n VAL 79 N -4.23 2.49 -3.20 4.60 0.31 0.14 -4.25 118.33 114.19 3knm n VAL 79 Ca 0.01 -1.30 -0.24 0.00 -0.01 0.00 0.00 64.34 62.80 3knm n VAL 79 Cb 0.29 -0.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.78 3knm n VAL 79 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3knm n SER 80 N 0.21 0.22 0.00 4.52 7.64 -0.79 -3.00 113.62 122.42 3knm n SER 80 Ca 0.30 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.48 3knm n SER 80 Cb 1.17 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3knm n SER 80 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3knm n GLU 81 N 1.42 0.00 0.00 1.43 4.71 -1.25 -4.87 120.64 122.08 3knm n GLU 81 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.36 3knm n GLU 81 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 3knm n GLU 81 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knm n GLY 82 N 1.94 -1.55 3.09 0.62 0.00 -1.26 -4.51 105.19 103.53 3knm n GLY 82 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3knm n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knm s TYR 83 N 0.00 -0.71 0.00 1.61 2.02 -1.09 -4.62 117.35 114.56 3knm s TYR 83 Ca 0.00 0.35 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 3knm s TYR 83 Cb 0.00 0.12 0.00 0.00 -0.40 0.00 0.00 41.96 41.68 3knm s TYR 83 CO 0.00 -0.43 0.00 0.43 -1.57 0.00 0.00 175.55 173.98 3knm n SER 84 N 4.89 0.00 -2.48 2.29 7.64 -1.26 -4.34 113.62 120.35 3knm n SER 84 Ca 0.08 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 3knm n SER 84 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 3knm n SER 84 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3knm n LYS 85 N 0.00 -3.02 -3.76 1.43 4.81 -1.26 -4.17 118.16 112.18 3knm n LYS 85 Ca 0.00 2.47 -0.13 0.00 -0.87 0.00 0.00 58.31 59.79 3knm n LYS 85 Cb 0.00 -4.57 -0.13 0.00 0.02 0.00 0.00 35.03 30.35 3knm n LYS 85 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3knm s GLU 86 N -1.25 0.20 0.08 1.64 -1.05 -1.26 0.64 118.70 117.70 3knm s GLU 86 Ca -0.03 0.39 0.03 0.00 -0.15 0.00 0.00 54.97 55.21 3knm s GLU 86 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.63 3knm s GLU 86 CO 0.65 -0.10 0.06 -0.51 0.95 0.00 0.00 175.26 176.30 3knm s LEU 87 N 0.72 3.72 0.46 1.83 1.43 0.17 -4.61 118.68 122.41 3knm s LEU 87 Ca -0.05 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 3knm s LEU 87 Cb -0.06 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.77 3knm s LEU 87 CO -0.04 0.17 0.61 -0.76 0.23 0.00 0.00 176.35 176.56 3knm s LEU 88 N -2.36 3.48 -0.01 1.79 2.01 0.31 -0.67 118.68 123.23 3knm s LEU 88 Ca 0.28 -0.57 0.02 0.00 0.01 0.00 0.00 54.13 53.87 3knm s LEU 88 Cb -0.12 -2.33 -0.02 0.00 0.01 0.00 0.00 46.19 43.73 3knm s LEU 88 CO 0.21 -0.91 0.01 2.30 1.01 0.00 0.00 176.35 178.98 3knm n ILE 89 N -1.93 0.09 -1.76 -0.59 -6.64 -1.11 -3.00 119.36 104.42 3knm n ILE 89 Ca 0.09 -0.07 0.03 0.00 -1.77 0.00 0.00 62.75 61.04 3knm n ILE 89 Cb 0.60 -0.66 -0.01 0.00 -1.44 0.00 0.00 39.64 38.13 3knm n ILE 89 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3knm n LYS 90 N -1.96 -0.44 -1.71 6.28 4.76 -1.26 -3.72 118.16 120.12 3knm n LYS 90 Ca -0.02 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3knm n LYS 90 Cb 0.45 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 3knm n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knm n GLY 91 N -0.72 -4.99 0.00 0.72 0.00 -1.26 -4.47 105.19 94.46 3knm n GLY 91 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3knm n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3knm n ILE 92 N 1.34 0.00 0.37 -0.61 5.41 -1.26 -1.59 119.36 123.03 3knm n ILE 92 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3knm n ILE 92 Cb 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3knm n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knm n GLY 93 N 0.00 0.37 3.69 7.39 0.00 -1.26 -4.78 105.19 110.61 3knm n GLY 93 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3knm n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knm s TYR 94 N -1.14 3.51 0.15 1.61 1.51 -0.62 -4.77 117.35 117.60 3knm s TYR 94 Ca 0.00 1.30 -0.16 0.00 -1.01 0.00 0.00 57.07 57.19 3knm s TYR 94 Cb 0.00 -2.94 0.03 0.00 -0.11 0.00 0.00 41.96 38.94 3knm s TYR 94 CO 0.00 -0.09 0.44 -0.98 -1.11 0.00 0.00 175.55 173.82 3knm s ARG 95 N 1.49 1.19 -0.15 -0.62 1.70 -1.06 -4.86 118.95 116.64 3knm s ARG 95 Ca 0.39 -0.79 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 3knm s ARG 95 Cb -0.18 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.71 3knm s ARG 95 CO 0.16 -0.48 -0.16 0.00 -1.08 0.00 0.00 175.30 173.74 3knm s ALA 96 N -3.84 1.95 0.04 7.88 0.00 -0.34 -1.79 121.76 125.66 3knm s ALA 96 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3knm s ALA 96 Cb 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3knm s ALA 96 CO -0.08 -0.33 -0.07 0.50 0.00 0.00 0.00 175.76 175.78 3knm s ARG 97 N 1.36 2.42 -0.26 0.00 3.52 -0.60 -4.72 118.95 120.66 3knm s ARG 97 Ca 0.03 -0.83 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 3knm s ARG 97 Cb -0.13 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 3knm s ARG 97 CO -0.10 0.57 0.10 -1.17 -0.81 0.00 0.00 175.30 173.89 3knm s LEU 98 N -1.72 3.64 -0.91 -0.88 2.96 -1.26 -1.59 118.68 118.92 3knm s LEU 98 Ca 0.19 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 3knm s LEU 98 Cb -0.11 -1.97 0.23 0.00 0.50 0.00 0.00 46.19 44.84 3knm s LEU 98 CO 0.10 -0.06 0.83 -0.69 -1.32 0.00 0.00 176.35 175.21 3knm s VAL 99 N 1.64 5.08 0.00 1.68 1.01 -0.20 -4.91 120.40 124.69 3knm s VAL 99 Ca 0.06 -3.28 0.00 0.00 0.00 0.00 0.00 61.98 58.76 3knm s VAL 99 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3knm s VAL 99 CO 0.05 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.69 3knm n GLY 100 N 2.99 2.16 0.00 4.51 0.00 -1.26 -2.25 105.19 111.34 3knm n GLY 100 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3knm n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 101 N 0.00 1.64 -4.17 1.61 1.74 -1.26 -5.06 116.66 111.15 3knm n ARG 101 Ca 0.00 -1.05 -0.30 0.00 -0.77 0.00 0.00 57.85 55.73 3knm n ARG 101 Cb 0.00 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 3knm n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knm s ALA 102 N -0.57 3.22 0.40 7.54 0.00 -0.95 -4.33 121.76 127.08 3knm s ALA 102 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 3knm s ALA 102 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3knm s ALA 102 CO 0.00 0.68 0.68 -1.17 0.00 0.00 0.00 175.76 175.95 3knm s LEU 103 N -2.19 3.83 -0.27 0.00 2.96 -0.64 -1.04 118.68 121.33 3knm s LEU 103 Ca 0.24 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 3knm s LEU 103 Cb -0.12 -3.68 0.15 0.00 0.50 0.00 0.00 46.19 43.05 3knm s LEU 103 CO 0.16 -0.42 0.42 -0.70 -1.32 0.00 0.00 176.35 174.50 3knm s GLU 104 N -4.33 0.41 0.26 1.98 -6.30 -0.62 -0.56 118.70 109.53 3knm s GLU 104 Ca 0.45 0.38 -0.16 0.00 -2.50 0.00 0.00 54.97 53.14 3knm s GLU 104 Cb -0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 34.13 33.68 3knm s GLU 104 CO 0.38 -0.85 0.69 -0.51 0.02 0.00 0.00 175.26 174.99 3knm s LEU 105 N 2.59 4.20 -0.45 2.70 2.01 0.59 -1.56 118.68 128.76 3knm s LEU 105 Ca 0.12 1.26 0.03 0.00 0.01 0.00 0.00 54.13 55.55 3knm s LEU 105 Cb -0.14 -3.77 0.15 0.00 0.01 0.00 0.00 46.19 42.44 3knm s LEU 105 CO -0.24 -0.07 0.29 -0.89 1.01 0.00 0.00 176.35 176.45 3knm s THR 106 N -1.75 1.08 -0.39 5.49 2.01 -0.74 -1.58 115.64 119.77 3knm s THR 106 Ca 0.48 -2.64 0.02 0.00 0.31 0.00 0.00 61.69 59.86 3knm s THR 106 Cb -0.13 -1.75 0.12 0.00 0.01 0.00 0.00 72.50 70.75 3knm s THR 106 CO 0.19 -1.01 0.16 0.68 -0.69 0.00 0.00 174.62 173.95 3knm s VAL 107 N 0.19 1.49 0.00 3.82 -7.23 -1.26 -2.57 120.40 114.83 3knm s VAL 107 Ca 0.22 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 3knm s VAL 107 Cb -0.14 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3knm s VAL 107 CO -0.07 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 3knm n GLY 108 N 4.07 0.00 3.76 2.32 0.00 -1.26 -4.90 105.19 109.18 3knm n GLY 108 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3knm n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3knm s PHE 109 N 0.00 3.43 0.25 1.61 0.08 -1.26 -4.95 117.98 117.15 3knm s PHE 109 Ca 0.00 1.66 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 3knm s PHE 109 Cb 0.00 -3.29 0.47 0.00 -0.57 0.00 0.00 43.02 39.63 3knm s PHE 109 CO 0.00 -0.73 1.77 0.66 -0.10 0.00 0.00 175.22 176.82 3knm h SER 110 N 3.41 0.52 -3.48 1.36 4.64 -2.03 -3.33 113.55 114.63 3knm h SER 110 Ca -0.47 0.08 -0.72 0.00 -0.47 0.00 0.00 61.79 60.21 3knm h SER 110 Cb 1.22 -0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.04 3knm h SER 110 CO 0.65 0.25 -0.47 -1.00 -0.87 0.00 0.00 176.83 175.39 3knm s HIS 111 N -6.00 3.29 0.06 4.77 3.76 -1.26 -5.06 115.29 114.85 3knm s HIS 111 Ca -0.12 -1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 53.23 3knm s HIS 111 Cb 0.21 -2.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.02 3knm s HIS 111 CO 0.78 -0.77 1.87 -1.25 -0.85 0.00 0.00 174.74 174.52 3knm s PRO 112 N 1.50 4.15 -0.03 8.40 0.04 -1.25 -4.95 135.00 142.85 3knm s PRO 112 Ca 0.03 2.56 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 3knm s PRO 112 Cb -0.22 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 3knm s PRO 112 CO 0.04 -0.89 1.85 0.08 0.04 0.00 0.00 177.00 178.12 3knm s VAL 113 N 3.67 3.26 -0.11 -0.36 1.01 -0.62 -4.82 120.40 122.43 3knm s VAL 113 Ca 0.84 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.10 3knm s VAL 113 Cb -0.43 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3knm s VAL 113 CO 0.38 -0.04 -0.02 -0.69 0.00 0.00 0.00 175.10 174.73 3knm s VAL 114 N 4.59 4.07 -0.20 2.92 1.01 -1.26 0.22 120.40 131.75 3knm s VAL 114 Ca 0.83 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3knm s VAL 114 Cb -0.38 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.33 3knm s VAL 114 CO 0.36 0.56 0.01 -0.69 0.00 0.00 0.00 175.10 175.35 3knm s VAL 115 N -0.44 0.76 0.86 2.92 1.01 0.27 -4.96 120.40 120.82 3knm s VAL 115 Ca 0.07 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 3knm s VAL 115 Cb -0.12 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.18 3knm s VAL 115 CO 0.02 -0.15 1.13 -0.70 0.00 0.00 0.00 175.10 175.40 3knm s GLU 116 N 1.75 1.49 -0.30 2.72 -6.30 -1.26 -1.61 118.70 115.18 3knm s GLU 116 Ca -0.02 1.42 -0.16 0.00 -2.50 0.00 0.00 54.97 53.72 3knm s GLU 116 Cb -0.17 -1.79 -0.02 0.00 0.00 0.00 0.00 34.13 32.14 3knm s GLU 116 CO -0.07 -2.26 0.41 -1.25 0.02 0.00 0.00 175.26 172.11 3knm s PRO 117 N -4.72 3.85 0.63 4.30 0.04 -1.26 -4.83 135.00 133.02 3knm s PRO 117 Ca 0.65 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 3knm s PRO 117 Cb -0.21 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.60 3knm s PRO 117 CO 0.57 -0.41 1.30 -1.25 0.04 0.00 0.00 177.00 177.25 3knm s PRO 118 N 2.15 2.65 -0.36 0.56 0.04 -1.26 -4.79 135.00 133.99 3knm s PRO 118 Ca 0.16 2.09 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 3knm s PRO 118 Cb -0.16 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3knm s PRO 118 CO 0.11 -1.53 2.32 -1.91 0.04 0.00 0.00 177.00 176.04 3knm n GLU 119 N -1.76 1.48 0.00 4.56 2.13 -1.26 -1.55 120.64 124.24 3knm n GLU 119 Ca 0.15 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.24 3knm n GLU 119 Cb 0.48 -3.30 0.00 0.00 0.27 0.00 0.00 31.44 28.89 3knm n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knm n GLY 120 N 5.92 1.16 3.16 8.31 0.00 -1.26 -5.12 105.19 117.36 3knm n GLY 120 Ca 0.34 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 3knm n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knm s ILE 121 N -1.72 0.90 -0.06 -0.61 1.01 -0.59 -4.23 121.20 115.90 3knm s ILE 121 Ca 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 60.65 59.11 3knm s ILE 121 Cb 0.00 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3knm s ILE 121 CO 0.00 -0.47 0.16 -0.89 0.00 0.00 0.00 174.94 173.73 3knm s THR 122 N -2.08 -0.02 0.12 2.92 2.01 -1.12 -4.70 115.64 112.77 3knm s THR 122 Ca 0.02 0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 3knm s THR 122 Cb -0.05 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.16 3knm s THR 122 CO 0.00 0.04 0.41 -0.36 -0.69 0.00 0.00 174.62 174.02 3knm s PHE 123 N 0.66 3.52 0.00 4.92 0.40 -1.26 -2.43 117.98 123.79 3knm s PHE 123 Ca -0.05 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.03 3knm s PHE 123 Cb -0.06 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.34 3knm s PHE 123 CO -0.03 0.46 -0.08 -1.21 0.70 0.00 0.00 175.22 175.05 3knm s GLU 124 N -2.29 0.61 -0.48 0.44 2.02 -0.14 -4.93 118.70 113.93 3knm s GLU 124 Ca 0.38 -0.36 0.08 0.00 0.02 0.00 0.00 54.97 55.09 3knm s GLU 124 Cb -0.13 -0.56 0.29 0.00 0.10 0.00 0.00 34.13 33.83 3knm s GLU 124 CO 0.21 0.15 0.70 0.28 0.02 0.00 0.00 175.26 176.62 3knm n VAL 125 N 2.65 0.81 -2.71 2.63 0.31 -1.26 -0.54 118.33 120.22 3knm n VAL 125 Ca -0.15 -4.72 -0.42 0.00 -0.01 0.00 0.00 64.34 59.04 3knm n VAL 125 Cb 0.57 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.02 3knm n VAL 125 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3knm s PRO 126 N -2.22 3.27 0.00 5.55 0.04 -1.19 -4.45 135.00 136.00 3knm s PRO 126 Ca 0.40 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.15 3knm s PRO 126 Cb 0.23 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.65 3knm s PRO 126 CO -0.08 -1.80 0.00 0.39 0.04 0.00 0.00 177.00 175.54 3knm n GLU 127 N 8.28 0.00 0.00 4.56 1.02 -1.26 -4.33 120.64 128.91 3knm n GLU 127 Ca 0.02 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3knm n GLU 127 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 3knm n GLU 127 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3knm n PRO 128 N 1.93 0.05 -0.30 3.49 -0.04 -1.26 -1.66 135.00 137.21 3knm n PRO 128 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 3knm n PRO 128 Cb 0.00 -1.00 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 3knm n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3knm n THR 129 N -0.47 1.53 -3.55 0.52 -2.24 -1.26 -1.20 114.28 107.61 3knm n THR 129 Ca 0.00 -1.99 -0.11 0.00 -2.27 0.00 0.00 64.05 59.68 3knm n THR 129 Cb 0.00 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.07 3knm n THR 129 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3knm s ARG 130 N -2.32 0.27 0.03 -0.78 0.52 -0.66 -2.76 118.95 113.25 3knm s ARG 130 Ca 0.28 0.73 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 3knm s ARG 130 Cb 0.25 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 3knm s ARG 130 CO -0.00 -0.41 0.05 0.08 0.02 0.00 0.00 175.30 175.03 3knm s VAL 131 N 2.51 4.42 -0.03 3.52 1.01 0.15 -3.19 120.40 128.80 3knm s VAL 131 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3knm s VAL 131 Cb -0.13 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 3knm s VAL 131 CO -0.12 0.27 0.01 -0.60 0.00 0.00 0.00 175.10 174.65 3knm s ARG 132 N -1.94 0.22 -0.28 2.72 3.52 0.30 0.44 118.95 123.93 3knm s ARG 132 Ca 0.24 0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 55.90 3knm s ARG 132 Cb -0.12 -0.43 0.02 0.00 -1.56 0.00 0.00 34.95 32.85 3knm s ARG 132 CO 0.16 -0.15 0.02 0.08 -0.81 0.00 0.00 175.30 174.60 3knm s VAL 133 N 1.06 3.49 0.07 7.11 1.01 0.21 -0.96 120.40 132.38 3knm s VAL 133 Ca -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3knm s VAL 133 Cb -0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 3knm s VAL 133 CO -0.02 0.12 -0.04 -0.44 0.00 0.00 0.00 175.10 174.71 3knm s SER 134 N 1.42 4.78 0.08 3.32 0.01 -1.02 -4.25 113.70 118.04 3knm s SER 134 Ca 0.01 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 56.78 3knm s SER 134 Cb -0.17 -1.08 0.09 0.00 0.21 0.00 0.00 66.02 65.06 3knm s SER 134 CO -0.00 0.20 1.09 -0.83 0.41 0.00 0.00 173.24 174.11 3knm s GLY 135 N -2.06 -0.31 0.08 3.44 0.00 -1.26 -2.79 107.32 104.42 3knm s GLY 135 Ca 0.22 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.39 3knm s GLY 135 CO 0.14 0.06 1.12 -2.22 0.00 0.00 0.00 173.10 172.21 3knm h ILE 136 N 2.00 1.50 0.00 0.90 2.04 -1.81 -2.89 117.51 119.24 3knm h ILE 136 Ca -0.26 -3.22 0.00 0.00 1.00 0.00 0.00 64.86 62.38 3knm h ILE 136 Cb 1.22 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 3knm h ILE 136 CO 0.27 0.87 0.00 -0.67 0.00 0.00 0.00 178.15 178.62 3knm n ASP 137 N -3.32 0.00 0.00 1.72 -0.08 -1.26 -4.52 116.55 109.08 3knm n ASP 137 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 3knm n ASP 137 Cb 0.98 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.44 3knm n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3knm n LYS 138 N 0.00 0.00 -0.17 -0.67 3.00 -1.26 -4.76 118.16 114.30 3knm n LYS 138 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 3knm n LYS 138 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.26 3knm n LYS 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 3knm h GLN 139 N 0.00 0.90 -0.61 1.64 -0.00 -1.98 -0.47 115.11 114.59 3knm h GLN 139 Ca 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 58.65 58.57 3knm h GLN 139 Cb 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.48 27.27 3knm h GLN 139 CO 0.00 0.69 0.37 -0.22 -0.00 0.00 0.00 178.83 179.67 3knm h LYS 140 N 0.90 0.70 0.57 0.06 3.64 -1.99 0.15 116.57 120.59 3knm h LYS 140 Ca 0.22 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3knm h LYS 140 Cb 0.08 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3knm h LYS 140 CO -0.03 0.46 -0.27 0.28 -2.27 0.00 0.00 179.45 177.62 3knm h VAL 141 N 0.72 0.00 -1.23 2.00 2.07 -1.70 -2.25 116.25 115.86 3knm h VAL 141 Ca 0.25 -0.08 0.44 0.00 0.82 0.00 0.00 66.70 68.13 3knm h VAL 141 Cb 0.05 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.68 3knm h VAL 141 CO -0.12 0.00 0.77 0.61 0.02 0.00 0.00 177.57 178.86 3knm n GLY 142 N -1.03 -0.77 0.00 2.17 0.00 -0.27 -0.54 105.19 104.75 3knm n GLY 142 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3knm n GLY 142 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knm n GLN 143 N -4.67 0.00 -0.34 1.61 -0.06 0.47 -3.23 117.38 111.16 3knm n GLN 143 Ca 0.37 0.46 0.35 0.00 -2.00 0.00 0.00 57.00 56.18 3knm n GLN 143 Cb 1.42 -1.23 0.55 0.00 -4.06 0.00 0.00 30.24 26.93 3knm n GLN 143 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3knm h VAL 144 N 0.00 0.02 0.43 1.69 2.07 -0.21 0.90 116.25 121.16 3knm h VAL 144 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3knm h VAL 144 Cb 0.00 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3knm h VAL 144 CO 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.38 3knm h ALA 145 N 0.70 -0.83 -0.76 1.67 0.00 -1.40 -0.34 119.26 118.30 3knm h ALA 145 Ca 0.60 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.48 3knm h ALA 145 Cb 3.09 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 20.99 3knm h ALA 145 CO -0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 179.25 178.08 3knm n ALA 146 N -2.45 -0.29 0.05 0.00 0.00 0.31 0.38 120.51 118.51 3knm n ALA 146 Ca -0.07 0.71 -0.05 0.00 0.00 0.00 0.00 53.44 54.03 3knm n ALA 146 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 3knm n ALA 146 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3knm h ASN 147 N 0.00 -0.41 -1.24 0.00 -0.26 -1.33 1.52 115.58 113.85 3knm h ASN 147 Ca 0.20 0.04 0.36 0.00 -0.56 0.00 0.00 56.30 56.33 3knm h ASN 147 Cb 0.39 0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.73 3knm h ASN 147 CO -0.74 -0.17 0.88 0.40 -1.06 0.00 0.00 177.43 176.74 3knm h ILE 148 N -0.24 0.37 0.00 2.81 1.08 0.98 0.90 117.51 123.41 3knm h ILE 148 Ca -0.01 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 3knm h ILE 148 Cb 0.22 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3knm h ILE 148 CO -0.05 0.01 -1.02 -2.11 -0.69 0.00 0.00 178.15 174.29 3knm n ARG 149 N -4.24 0.21 0.21 2.37 1.85 0.16 -3.75 116.66 113.47 3knm n ARG 149 Ca 0.28 -0.02 0.07 0.00 -1.00 0.00 0.00 57.85 57.18 3knm n ARG 149 Cb 1.28 -1.55 0.48 0.00 -1.05 0.00 0.00 32.46 31.61 3knm n ARG 149 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knm h ALA 150 N 2.67 1.27 -0.87 2.89 0.00 0.97 -2.66 119.26 123.54 3knm h ALA 150 Ca 0.00 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.87 3knm h ALA 150 Cb 0.66 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 3knm h ALA 150 CO 0.00 0.35 0.35 0.82 0.00 0.00 0.00 179.25 180.77 3knm h ILE 151 N 0.00 0.48 -3.24 0.00 1.08 -1.57 -3.32 117.51 110.93 3knm h ILE 151 Ca -0.00 -0.13 -0.53 0.00 -0.39 0.00 0.00 64.86 63.81 3knm h ILE 151 Cb 0.59 0.07 -0.40 0.00 -3.07 0.00 0.00 36.82 34.01 3knm h ILE 151 CO 0.04 0.07 -0.76 -0.13 -0.69 0.00 0.00 178.15 176.67 3knm s ARG 152 N -5.91 0.68 0.78 2.37 1.81 -1.00 -5.08 118.95 112.59 3knm s ARG 152 Ca -0.12 -0.55 -0.14 0.00 -1.72 0.00 0.00 55.73 53.20 3knm s ARG 152 Cb 0.25 -2.07 0.07 0.00 -0.45 0.00 0.00 34.95 32.75 3knm s ARG 152 CO 0.78 -0.71 1.22 -1.59 -0.68 0.00 0.00 175.30 174.31 3knm s LYS 153 N 1.81 1.77 0.00 3.54 -2.85 -1.25 -2.65 119.74 120.11 3knm s LYS 153 Ca 0.01 1.80 0.00 0.00 -1.00 0.00 0.00 55.97 56.78 3knm s LYS 153 Cb -0.17 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 3knm s LYS 153 CO -0.12 -2.13 0.00 -2.30 0.10 0.00 0.00 175.35 170.90 3knm n PRO 154 N -3.10 0.00 -0.21 1.78 -0.02 -1.26 -4.02 135.00 128.17 3knm n PRO 154 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3knm n PRO 154 Cb 0.50 -0.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 3knm n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3knm n SER 155 N 0.00 -0.56 0.00 2.55 2.88 -1.26 -4.34 113.62 112.89 3knm n SER 155 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3knm n SER 155 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3knm n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3knm n ALA 156 N -0.84 0.00 -2.90 -1.46 0.00 -1.26 -4.81 120.51 109.24 3knm n ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knm n ALA 156 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knm n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3knm n TYR 157 N 0.00 0.00 -1.31 0.00 9.36 -1.26 -4.14 117.16 119.82 3knm n TYR 157 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3knm n TYR 157 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3knm n TYR 157 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3knm n HIS 158 N -0.65 -2.26 0.00 2.98 8.25 -1.26 -5.06 115.22 117.22 3knm n HIS 158 Ca 0.00 1.22 0.00 0.00 -0.26 0.00 0.00 57.72 58.68 3knm n HIS 158 Cb 0.00 -1.89 0.00 0.00 1.12 0.00 0.00 29.99 29.22 3knm n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3knm n GLU 159 N -2.37 0.00 -0.28 -0.41 4.07 -1.26 -5.04 120.64 115.35 3knm n GLU 159 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3knm n GLU 159 Cb 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.64 3knm n GLU 159 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3knm n LYS 160 N 0.00 0.42 0.00 5.31 2.85 -1.26 -4.30 118.16 121.18 3knm n LYS 160 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knm n LYS 160 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3knm n LYS 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3knm n GLY 161 N 5.00 0.50 2.71 2.58 0.00 -1.24 -4.29 105.19 110.45 3knm n GLY 161 Ca 0.00 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 3knm n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knm s ILE 162 N -0.71 0.70 0.22 -0.61 1.01 -1.08 -4.28 121.20 116.43 3knm s ILE 162 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 60.65 59.45 3knm s ILE 162 Cb 0.00 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.96 3knm s ILE 162 CO 0.00 -0.58 0.47 -0.31 0.00 0.00 0.00 174.94 174.52 3knm s TYR 163 N 1.72 3.47 -0.04 3.97 1.51 -1.16 -4.57 117.35 122.25 3knm s TYR 163 Ca 0.07 0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 56.70 3knm s TYR 163 Cb -0.17 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3knm s TYR 163 CO -0.23 0.30 0.30 1.88 -1.11 0.00 0.00 175.55 176.69 3knm h TYR 164 N 2.26 -0.16 0.00 2.71 0.99 -1.86 0.90 116.97 121.82 3knm h TYR 164 Ca -0.47 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3knm h TYR 164 Cb 1.18 0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.96 3knm h TYR 164 CO 0.59 -0.10 0.00 0.00 -0.00 0.00 0.00 178.16 178.65 3knm n ALA 165 N -2.42 0.00 -2.76 3.88 0.00 -1.26 -4.07 120.51 113.87 3knm n ALA 165 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3knm n ALA 165 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 3knm n ALA 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knm s GLY 166 N 0.00 1.92 0.24 0.00 0.00 -1.26 -5.06 107.32 103.15 3knm s GLY 166 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.69 3knm s GLY 166 CO 0.00 -0.40 0.57 1.18 0.00 0.00 0.00 173.10 174.46 3knm n GLU 167 N 2.43 0.26 0.00 2.90 -0.58 -1.26 -5.06 120.64 119.33 3knm n GLU 167 Ca -0.18 0.09 0.13 0.00 -0.42 0.00 0.00 57.16 56.78 3knm n GLU 167 Cb 0.54 -1.17 0.26 0.00 -0.57 0.00 0.00 31.44 30.49 3knm n GLU 167 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30