#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvc n SER 3 N 0.00 0.00 -4.68 0.00 3.41 -1.26 -5.00 113.62 106.10 1wvc n SER 3 Ca 0.00 -0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.00 1wvc n SER 3 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1wvc n SER 3 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wvc s LYS 4 N 0.00 2.91 -0.10 4.33 1.02 -1.26 -3.80 119.74 122.84 1wvc s LYS 4 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1wvc s LYS 4 Cb 0.00 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1wvc s LYS 4 CO 0.00 0.68 -0.24 0.00 -0.92 0.00 0.00 175.35 174.87 1wvc s ALA 5 N -0.94 2.15 -0.23 5.17 0.00 -0.65 -0.40 121.76 126.87 1wvc s ALA 5 Ca 0.15 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1wvc s ALA 5 Cb -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1wvc s ALA 5 CO 0.05 0.27 0.07 0.08 0.00 0.00 0.00 175.76 176.22 1wvc s VAL 6 N 0.38 4.48 -0.13 0.00 1.01 0.29 -1.13 120.40 125.29 1wvc s VAL 6 Ca -0.18 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1wvc s VAL 6 Cb -0.18 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1wvc s VAL 6 CO 0.08 0.37 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 1wvc s ILE 7 N 1.25 1.69 0.12 2.22 1.01 -0.53 -1.44 121.20 125.51 1wvc s ILE 7 Ca 0.05 -0.74 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 1wvc s ILE 7 Cb -0.14 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 1wvc s ILE 7 CO 0.04 0.48 1.27 -0.76 0.00 0.00 0.00 174.94 175.96 1wvc s LEU 8 N 1.08 4.39 0.00 2.97 1.43 -1.08 -1.61 118.68 125.86 1wvc s LEU 8 Ca -0.03 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1wvc s LEU 8 Cb -0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1wvc s LEU 8 CO -0.05 -0.51 0.68 0.00 0.23 0.00 0.00 176.35 176.70 1wvc n ALA 9 N 3.44 1.74 1.26 4.21 0.00 -0.11 -2.44 120.51 128.61 1wvc n ALA 9 Ca 0.08 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1wvc n ALA 9 Cb 0.44 -0.23 0.40 0.00 0.00 0.00 0.00 19.45 20.07 1wvc n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wvc n GLY 10 N 0.00 -0.65 3.60 0.00 0.00 -1.01 -4.31 105.19 102.83 1wvc n GLY 10 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1wvc n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wvc s GLY 11 N -2.50 1.59 0.29 -0.02 0.00 -1.26 -2.61 107.32 102.81 1wvc s GLY 11 Ca 0.25 -0.01 0.16 0.00 0.00 0.00 0.00 44.72 45.11 1wvc s GLY 11 CO 0.51 0.58 1.47 1.41 0.00 0.00 0.00 173.10 177.08 1wvc h LEU 12 N -2.15 0.00 1.79 0.66 3.38 -1.94 -3.40 115.31 113.66 1wvc h LEU 12 Ca -0.55 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 1wvc h LEU 12 Cb 1.31 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1wvc h LEU 12 CO 0.51 0.48 -0.39 0.61 0.09 0.00 0.00 178.44 179.74 1wvc n GLY 13 N 1.15 0.50 0.35 0.83 0.00 -1.26 -4.86 105.19 101.90 1wvc n GLY 13 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.91 1wvc n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wvc n THR 14 N -3.39 -0.42 1.06 2.61 -2.24 -1.26 0.35 114.28 110.98 1wvc n THR 14 Ca -0.19 2.21 0.00 0.00 -2.27 0.00 0.00 64.05 63.79 1wvc n THR 14 Cb 0.62 -3.02 0.00 0.00 -2.10 0.00 0.00 70.33 65.83 1wvc n THR 14 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wvc n ARG 15 N -5.53 0.54 -1.23 -0.78 1.74 -1.26 -2.98 116.66 107.16 1wvc n ARG 15 Ca 0.14 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 1wvc n ARG 15 Cb 0.46 -1.01 -0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1wvc n ARG 15 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1wvc n LEU 16 N -0.47 0.43 -0.29 0.55 7.94 0.16 -4.21 117.00 121.11 1wvc n LEU 16 Ca 0.00 -1.83 0.34 0.00 -1.11 0.00 0.00 56.01 53.41 1wvc n LEU 16 Cb 0.01 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.65 1wvc n LEU 16 CO 0.00 0.69 1.31 0.77 -1.11 0.00 0.00 177.39 179.06 1wvc h SER 17 N 0.63 0.00 -1.04 1.96 4.64 -1.42 0.32 113.55 118.64 1wvc h SER 17 Ca -0.26 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.35 1wvc h SER 17 Cb 1.70 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.74 1wvc h SER 17 CO 0.00 0.00 0.73 -0.33 -0.87 0.00 0.00 176.83 176.37 1wvc h GLU 18 N 0.00 0.10 0.00 4.77 3.07 -1.90 -2.14 114.58 118.48 1wvc h GLU 18 Ca 0.54 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.28 1wvc h GLU 18 Cb 2.47 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 30.34 1wvc h GLU 18 CO -0.01 0.07 -1.41 0.39 -1.40 0.00 0.00 179.01 176.65 1wvc n GLU 19 N -4.32 0.17 0.02 2.33 -0.58 -0.01 -4.72 120.64 113.54 1wvc n GLU 19 Ca 0.23 0.06 0.01 0.00 -0.42 0.00 0.00 57.16 57.04 1wvc n GLU 19 Cb 1.05 -0.91 0.08 0.00 -0.57 0.00 0.00 31.44 31.08 1wvc n GLU 19 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wvc n THR 20 N -3.09 1.59 0.36 2.62 -2.24 -0.55 -1.07 114.28 111.89 1wvc n THR 20 Ca -0.14 0.54 0.14 0.00 -2.27 0.00 0.00 64.05 62.31 1wvc n THR 20 Cb 0.62 -1.54 0.43 0.00 -2.10 0.00 0.00 70.33 67.74 1wvc n THR 20 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1wvc h ILE 21 N 0.00 0.00 0.00 2.28 3.07 -1.65 -3.19 117.51 118.02 1wvc h ILE 21 Ca 0.00 -0.59 -0.03 0.00 1.55 0.00 0.00 64.86 65.78 1wvc h ILE 21 Cb 0.16 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 1wvc h ILE 21 CO 0.00 0.00 -1.61 0.52 -1.05 0.00 0.00 178.15 176.01 1wvc n VAL 22 N -2.74 0.13 -3.84 0.16 0.31 -0.24 -5.06 118.33 107.05 1wvc n VAL 22 Ca 0.03 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.95 1wvc n VAL 22 Cb 0.39 0.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.34 1wvc n VAL 22 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1wvc s LYS 23 N -2.78 1.49 0.11 5.55 -2.85 -1.14 -5.07 119.74 115.05 1wvc s LYS 23 Ca -0.05 -1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 53.61 1wvc s LYS 23 Cb 0.07 0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 36.28 1wvc s LYS 23 CO 0.52 -0.63 1.38 -1.25 0.10 0.00 0.00 175.35 175.46 1wvc s PRO 24 N -3.93 4.33 0.35 1.78 0.04 -1.26 -3.92 135.00 132.39 1wvc s PRO 24 Ca 0.13 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.48 1wvc s PRO 24 Cb -0.02 -3.27 1.19 0.00 0.04 0.00 0.00 34.50 32.45 1wvc s PRO 24 CO 0.02 -0.43 1.25 1.17 0.04 0.00 0.00 177.00 179.05 1wvc n LYS 25 N 4.02 -0.03 0.04 4.56 4.81 -1.26 0.15 118.16 130.44 1wvc n LYS 25 Ca 0.11 1.01 0.12 0.00 -0.87 0.00 0.00 58.31 58.68 1wvc n LYS 25 Cb 0.43 -1.98 0.49 0.00 0.02 0.00 0.00 35.03 33.98 1wvc n LYS 25 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1wvc n PRO 26 N -4.32 0.08 0.00 1.64 -0.02 -1.26 -2.08 135.00 129.03 1wvc n PRO 26 Ca 0.32 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1wvc n PRO 26 Cb 1.25 -1.60 0.71 0.00 -0.02 0.00 0.00 33.50 33.83 1wvc n PRO 26 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1wvc n MET 27 N -1.74 0.96 -2.45 -0.52 2.81 0.39 -2.18 117.12 114.39 1wvc n MET 27 Ca 0.05 -0.29 -0.40 0.00 -1.81 0.00 0.00 57.70 55.25 1wvc n MET 27 Cb 0.31 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.28 1wvc n MET 27 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1wvc s VAL 28 N -2.24 3.50 0.22 2.03 1.01 -0.89 -4.48 120.40 119.55 1wvc s VAL 28 Ca 0.37 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1wvc s VAL 28 Cb 0.21 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wvc s VAL 28 CO 0.41 0.33 0.17 -1.83 0.00 0.00 0.00 175.10 174.18 1wvc s GLU 29 N -1.24 2.91 -0.23 2.72 -1.05 -1.26 0.11 118.70 120.66 1wvc s GLU 29 Ca 0.46 -0.98 -0.01 0.00 -0.15 0.00 0.00 54.97 54.29 1wvc s GLU 29 Cb -0.32 -2.59 0.07 0.00 -0.44 0.00 0.00 34.13 30.84 1wvc s GLU 29 CO 0.41 0.44 0.02 0.42 0.95 0.00 0.00 175.26 177.49 1wvc s ILE 30 N -1.98 0.91 -0.45 1.83 1.09 0.03 -4.75 121.20 117.89 1wvc s ILE 30 Ca 0.32 -0.96 -0.01 0.00 -1.10 0.00 0.00 60.65 58.90 1wvc s ILE 30 Cb -0.09 -1.41 0.00 0.00 -1.06 0.00 0.00 42.46 39.90 1wvc s ILE 30 CO 0.24 -0.29 0.15 0.61 -0.10 0.00 0.00 174.94 175.55 1wvc n GLY 31 N 4.89 0.30 3.01 6.18 0.00 -1.26 -2.78 105.19 115.54 1wvc n GLY 31 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1wvc n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvc n GLY 32 N -0.97 0.40 3.25 -0.02 0.00 -1.26 -4.98 105.19 101.61 1wvc n GLY 32 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1wvc n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvc s LYS 33 N -0.70 2.67 0.45 1.61 1.02 -1.12 -4.97 119.74 118.70 1wvc s LYS 33 Ca 0.00 -0.89 -0.23 0.00 0.02 0.00 0.00 55.97 54.86 1wvc s LYS 33 Cb 0.00 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1wvc s LYS 33 CO 0.00 0.32 0.97 -2.30 -0.92 0.00 0.00 175.35 173.43 1wvc n PRO 34 N 3.11 1.24 0.28 -1.68 -0.02 -1.26 -0.79 135.00 135.89 1wvc n PRO 34 Ca -0.18 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1wvc n PRO 34 Cb 0.52 -2.03 0.81 0.00 -0.02 0.00 0.00 33.50 32.78 1wvc n PRO 34 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1wvc h ILE 35 N 1.34 0.70 -0.43 4.25 2.10 0.13 -1.52 117.51 124.08 1wvc h ILE 35 Ca -0.45 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.46 1wvc h ILE 35 Cb 1.34 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 1wvc h ILE 35 CO 0.56 0.01 0.24 0.25 -1.08 0.00 0.00 178.15 178.12 1wvc h LEU 36 N 0.00 0.54 -0.29 2.19 5.85 -1.67 -1.38 115.31 120.55 1wvc h LEU 36 Ca -0.00 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wvc h LEU 36 Cb 0.01 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1wvc h LEU 36 CO 0.00 0.48 0.07 -0.25 -0.34 0.00 0.00 178.44 178.40 1wvc h TRP 37 N 0.57 0.11 -0.27 1.25 7.01 -1.56 0.90 115.95 123.96 1wvc h TRP 37 Ca 0.15 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.23 1wvc h TRP 37 Cb 0.06 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.04 1wvc h TRP 37 CO -0.02 0.03 -0.15 0.45 -2.79 0.00 0.00 178.44 175.96 1wvc h HIS 38 N 0.18 -0.37 -0.94 2.65 3.86 -1.26 0.11 115.15 119.37 1wvc h HIS 38 Ca 0.13 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.48 1wvc h HIS 38 Cb 0.13 0.21 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 1wvc h HIS 38 CO -0.16 -0.22 0.58 0.82 0.86 0.00 0.00 177.93 179.80 1wvc h ILE 39 N -0.12 0.94 0.00 2.45 2.04 -0.56 0.18 117.51 122.44 1wvc h ILE 39 Ca 0.15 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1wvc h ILE 39 Cb 0.34 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1wvc h ILE 39 CO -0.35 0.17 -0.26 0.24 0.00 0.00 0.00 178.15 177.95 1wvc h MET 40 N 0.94 0.00 0.00 2.37 2.86 0.23 -1.06 114.93 120.28 1wvc h MET 40 Ca 0.45 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.01 1wvc h MET 40 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1wvc h MET 40 CO -0.25 0.26 -0.40 0.87 1.06 0.00 0.00 176.91 178.45 1wvc h LYS 41 N 0.00 0.00 -0.08 1.72 1.79 0.18 -1.58 116.57 118.59 1wvc h LYS 41 Ca -0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.22 1wvc h LYS 41 Cb 0.72 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1wvc h LYS 41 CO 0.03 0.40 -0.91 0.52 -1.08 0.00 0.00 179.45 178.42 1wvc h MET 42 N 0.00 0.75 0.66 3.15 2.86 0.35 -2.66 114.93 120.03 1wvc h MET 42 Ca -0.00 -0.70 -0.03 0.00 -2.06 0.00 0.00 59.70 56.90 1wvc h MET 42 Cb 1.09 0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.93 1wvc h MET 42 CO 0.05 1.29 -0.32 1.88 1.06 0.00 0.00 176.91 180.88 1wvc h TYR 43 N 0.47 -0.82 -0.85 -0.22 -1.99 -1.20 -3.08 116.97 109.28 1wvc h TYR 43 Ca -0.09 -0.02 0.17 0.00 2.00 0.00 0.00 58.73 60.79 1wvc h TYR 43 Cb 1.55 0.27 -0.16 0.00 2.00 0.00 0.00 36.73 40.39 1wvc h TYR 43 CO 0.09 -0.49 -0.20 1.03 -0.00 0.00 0.00 178.16 178.59 1wvc h SER 44 N -1.19 -0.77 -0.62 3.88 0.87 -0.52 1.82 113.55 117.02 1wvc h SER 44 Ca -0.09 0.25 0.18 0.00 -1.23 0.00 0.00 61.79 60.90 1wvc h SER 44 Cb 0.70 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1wvc h SER 44 CO 0.15 -0.28 0.64 0.58 -0.53 0.00 0.00 176.83 177.39 1wvc h VAL 45 N 0.00 0.30 -0.46 2.23 2.07 -1.45 0.90 116.25 119.84 1wvc h VAL 45 Ca 0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.93 1wvc h VAL 45 Cb 0.64 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1wvc h VAL 45 CO -0.87 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.13 1wvc n HIS 46 N -3.67 0.61 0.00 1.57 -0.00 0.61 -4.98 115.22 109.37 1wvc n HIS 46 Ca 0.12 -0.43 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 1wvc n HIS 46 Cb 0.87 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.84 1wvc n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wvc n GLY 47 N 1.06 0.92 3.57 -1.41 0.00 0.31 -4.69 105.19 104.96 1wvc n GLY 47 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1wvc n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wvc s ILE 48 N -2.19 4.30 -0.02 -0.61 -1.09 -1.04 -4.85 121.20 115.70 1wvc s ILE 48 Ca 0.00 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.29 1wvc s ILE 48 Cb 0.00 -4.55 0.04 0.00 -1.58 0.00 0.00 42.46 36.36 1wvc s ILE 48 CO 0.00 -1.02 0.94 0.29 -1.23 0.00 0.00 174.94 173.92 1wvc n LYS 49 N 7.63 2.21 -4.06 2.79 5.02 -1.25 -1.84 118.16 128.66 1wvc n LYS 49 Ca 0.08 -1.45 -0.33 0.00 -2.02 0.00 0.00 58.31 54.59 1wvc n LYS 49 Cb 0.49 -0.96 -0.15 0.00 -0.02 0.00 0.00 35.03 34.38 1wvc n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wvc s ASP 50 N -1.06 4.06 0.19 4.39 1.11 -1.25 -0.99 116.67 123.12 1wvc s ASP 50 Ca 0.04 -1.08 0.08 0.00 0.18 0.00 0.00 52.55 51.78 1wvc s ASP 50 Cb 0.03 -1.56 -0.04 0.00 1.07 0.00 0.00 42.92 42.42 1wvc s ASP 50 CO 0.00 -0.13 -0.17 -0.36 1.18 0.00 0.00 175.17 175.70 1wvc s PHE 51 N 1.21 1.81 -0.07 4.23 0.40 -0.23 -1.63 117.98 123.69 1wvc s PHE 51 Ca -0.03 -0.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1wvc s PHE 51 Cb -0.17 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.50 1wvc s PHE 51 CO -0.07 0.37 -0.14 0.42 0.70 0.00 0.00 175.22 176.50 1wvc s ILE 52 N -2.39 1.26 -0.17 0.64 1.09 -0.29 -0.53 121.20 120.81 1wvc s ILE 52 Ca 0.19 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1wvc s ILE 52 Cb -0.04 -1.14 0.00 0.00 -1.06 0.00 0.00 42.46 40.22 1wvc s ILE 52 CO 0.07 0.38 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.51 1wvc s ILE 53 N 0.65 2.53 -0.75 2.92 -1.09 0.36 -1.46 121.20 124.37 1wvc s ILE 53 Ca -0.15 -0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 57.25 1wvc s ILE 53 Cb -0.16 -2.07 0.07 0.00 -1.58 0.00 0.00 42.46 38.72 1wvc s ILE 53 CO 0.04 0.51 1.09 0.00 -1.23 0.00 0.00 174.94 175.35 1wvc n GLY 56 N -2.36 -0.66 3.67 0.00 0.00 -1.26 0.22 105.19 104.80 1wvc n GLY 56 Ca 0.03 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.22 1wvc n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wvc s TYR 57 N 1.24 1.66 -1.46 1.61 5.04 -1.07 -2.95 117.35 121.43 1wvc s TYR 57 Ca 0.00 -0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.33 1wvc s TYR 57 Cb 0.00 -4.18 0.03 0.00 0.35 0.00 0.00 41.96 38.17 1wvc s TYR 57 CO 0.00 -5.09 0.67 1.63 -1.34 0.00 0.00 175.55 171.42 1wvc n LYS 58 N 6.86 -4.83 -0.33 4.97 5.02 -1.26 -4.52 118.16 124.07 1wvc n LYS 58 Ca 0.19 0.74 0.06 0.00 -2.02 0.00 0.00 58.31 57.27 1wvc n LYS 58 Cb 0.40 -5.58 0.21 0.00 -0.02 0.00 0.00 35.03 30.04 1wvc n LYS 58 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1wvc h GLY 59 N -1.47 1.47 -0.09 0.72 0.00 -1.89 -2.26 103.07 99.55 1wvc h GLY 59 Ca -0.51 -0.36 0.29 0.00 0.00 0.00 0.00 47.33 46.75 1wvc h GLY 59 CO 0.57 0.12 0.76 -1.82 0.00 0.00 0.00 176.54 176.17 1wvc h TYR 60 N 0.87 0.00 -0.70 5.60 3.20 -1.91 0.51 116.97 124.53 1wvc h TYR 60 Ca 0.46 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.34 1wvc h TYR 60 Cb 0.46 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1wvc h TYR 60 CO -0.04 0.00 0.46 0.28 -1.64 0.00 0.00 178.16 177.23 1wvc h VAL 61 N 0.00 1.16 0.13 1.81 2.07 -1.80 0.33 116.25 119.94 1wvc h VAL 61 Ca 0.48 -0.31 -0.28 0.00 0.82 0.00 0.00 66.70 67.41 1wvc h VAL 61 Cb 1.99 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1wvc h VAL 61 CO -0.01 0.17 -1.23 0.40 0.02 0.00 0.00 177.57 176.92 1wvc h ILE 62 N 0.92 1.44 0.19 4.57 2.04 -0.21 -1.78 117.51 124.68 1wvc h ILE 62 Ca 0.26 -2.88 0.01 0.00 1.00 0.00 0.00 64.86 63.25 1wvc h ILE 62 Cb -0.06 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1wvc h ILE 62 CO -0.06 0.85 -0.29 0.11 0.00 0.00 0.00 178.15 178.76 1wvc h LYS 63 N 0.12 -0.52 -0.77 2.37 1.57 -0.48 -1.82 116.57 117.04 1wvc h LYS 63 Ca -0.15 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1wvc h LYS 63 Cb 1.93 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 34.32 1wvc h LYS 63 CO 0.21 -0.35 0.48 1.49 -0.57 0.00 0.00 179.45 180.71 1wvc h GLU 64 N -0.54 1.03 0.17 3.15 4.22 -0.43 -0.21 114.58 121.96 1wvc h GLU 64 Ca 0.01 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.39 1wvc h GLU 64 Cb 0.54 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1wvc h GLU 64 CO -0.12 0.71 -0.45 -0.92 -2.18 0.00 0.00 179.01 176.04 1wvc h TYR 65 N 1.05 -1.28 -0.02 0.92 3.20 -0.52 -1.28 116.97 119.04 1wvc h TYR 65 Ca 0.28 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.10 1wvc h TYR 65 Cb -0.07 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1wvc h TYR 65 CO 0.00 -0.56 -0.34 0.74 -1.64 0.00 0.00 178.16 176.37 1wvc h PHE 66 N -0.72 0.04 0.00 -3.82 -1.00 -1.15 -1.05 116.94 109.24 1wvc h PHE 66 Ca 0.00 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 1wvc h PHE 66 Cb 0.72 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1wvc h PHE 66 CO -0.37 0.37 -0.21 0.00 -1.61 0.00 0.00 178.31 176.49 1wvc h ALA 67 N 1.63 1.50 -0.27 2.45 0.00 -0.53 -3.19 119.26 120.85 1wvc h ALA 67 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.49 1wvc h ALA 67 Cb 0.61 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.07 1wvc h ALA 67 CO 0.05 0.26 -0.88 0.09 0.00 0.00 0.00 179.25 178.77 1wvc n ASN 68 N -4.06 2.19 -0.03 0.00 3.02 -0.53 -4.94 115.26 110.91 1wvc n ASN 68 Ca -0.02 -2.87 -0.13 0.00 -0.03 0.00 0.00 54.58 51.53 1wvc n ASN 68 Cb 0.28 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 1wvc n ASN 68 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wvc h TYR 69 N 1.66 -1.41 -0.89 3.10 3.20 -1.19 0.84 116.97 122.28 1wvc h TYR 69 Ca -0.02 0.06 0.24 0.00 3.14 0.00 0.00 58.73 62.15 1wvc h TYR 69 Cb 1.44 0.63 -0.15 0.00 1.54 0.00 0.00 36.73 40.19 1wvc h TYR 69 CO 0.55 -0.46 0.16 0.74 -1.64 0.00 0.00 178.16 177.51 1wvc h PHE 70 N -0.47 0.21 0.52 -3.82 0.04 -1.89 0.63 116.94 112.16 1wvc h PHE 70 Ca 0.03 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1wvc h PHE 70 Cb 0.57 0.05 0.01 0.00 2.20 0.00 0.00 35.95 38.78 1wvc h PHE 70 CO -0.60 -0.29 -0.25 1.25 -0.60 0.00 0.00 178.31 177.83 1wvc h LEU 71 N 0.13 -0.59 -1.47 1.54 5.85 -1.61 0.19 115.31 119.35 1wvc h LEU 71 Ca 0.56 -0.02 0.34 0.00 0.84 0.00 0.00 57.88 59.59 1wvc h LEU 71 Cb 1.13 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 1wvc h LEU 71 CO -0.73 -0.36 0.77 0.45 -0.34 0.00 0.00 178.44 178.22 1wvc h HIS 72 N -0.78 0.52 0.00 1.25 3.86 0.23 -2.19 115.15 118.03 1wvc h HIS 72 Ca -0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1wvc h HIS 72 Cb 0.57 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1wvc h HIS 72 CO -0.02 -0.04 -1.14 -1.33 0.86 0.00 0.00 177.93 176.27 1wvc n MET 73 N -4.58 0.61 -4.33 2.45 2.81 0.17 -5.02 117.12 109.23 1wvc n MET 73 Ca 0.30 0.10 -0.18 0.00 -1.81 0.00 0.00 57.70 56.11 1wvc n MET 73 Cb 1.13 -1.80 -0.10 0.00 -0.71 0.00 0.00 33.22 31.74 1wvc n MET 73 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1wvc s SER 74 N -5.32 1.45 1.09 7.83 0.15 0.58 -4.94 113.70 114.55 1wvc s SER 74 Ca -0.01 -1.50 -0.16 0.00 0.70 0.00 0.00 55.95 54.98 1wvc s SER 74 Cb 0.10 0.31 0.23 0.00 -1.71 0.00 0.00 66.02 64.95 1wvc s SER 74 CO 0.80 -0.83 1.12 -1.81 1.20 0.00 0.00 173.24 173.72 1wvc s ASP 75 N -3.36 1.90 0.03 5.45 1.01 -1.26 -4.80 116.67 115.63 1wvc s ASP 75 Ca 0.36 0.81 -0.27 0.00 0.71 0.00 0.00 52.55 54.16 1wvc s ASP 75 Cb 0.06 -1.21 0.09 0.00 1.01 0.00 0.00 42.92 42.87 1wvc s ASP 75 CO 0.16 -3.54 0.77 0.54 0.21 0.00 0.00 175.17 173.31 1wvc s VAL 76 N -3.09 0.00 -0.01 -1.27 0.11 -1.26 -0.91 120.40 113.96 1wvc s VAL 76 Ca 0.69 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.78 1wvc s VAL 76 Cb -0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1wvc s VAL 76 CO 0.56 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.30 1wvc s THR 77 N -2.84 1.14 -0.18 5.04 2.01 -0.07 -4.93 115.64 115.81 1wvc s THR 77 Ca 0.01 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1wvc s THR 77 Cb -0.01 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1wvc s THR 77 CO -0.07 0.33 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.69 1wvc s PHE 78 N -0.27 2.83 -0.93 4.92 0.40 -1.26 0.91 117.98 124.57 1wvc s PHE 78 Ca 0.04 -1.15 -0.01 0.00 -0.60 0.00 0.00 56.93 55.22 1wvc s PHE 78 Cb -0.06 -1.95 0.29 0.00 0.51 0.00 0.00 43.02 41.81 1wvc s PHE 78 CO -0.00 -0.56 1.24 0.72 0.70 0.00 0.00 175.22 177.31 1wvc n HIS 79 N 4.36 2.74 -0.28 0.36 8.25 0.45 -4.85 115.22 126.26 1wvc n HIS 79 Ca -0.19 -3.12 0.21 0.00 -0.26 0.00 0.00 57.72 54.36 1wvc n HIS 79 Cb 0.51 -1.03 0.52 0.00 1.12 0.00 0.00 29.99 31.11 1wvc n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wvc h MET 80 N 5.03 0.38 -0.16 -0.41 -0.00 -1.93 0.12 114.93 117.98 1wvc h MET 80 Ca 0.20 -0.02 0.05 0.00 -0.00 0.00 0.00 59.70 59.92 1wvc h MET 80 Cb 0.63 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.14 1wvc h MET 80 CO 1.17 0.25 0.14 0.00 -0.00 0.00 0.00 176.91 178.47 1wvc h ALA 81 N 1.60 1.92 -0.03 -3.00 0.00 -1.94 0.59 119.26 118.41 1wvc h ALA 81 Ca 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1wvc h ALA 81 Cb 1.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wvc h ALA 81 CO -0.22 -0.22 -0.02 -0.85 0.00 0.00 0.00 179.25 177.95 1wvc n GLU 82 N -4.10 1.47 -4.30 0.00 0.00 0.31 -4.98 120.64 109.04 1wvc n GLU 82 Ca 0.01 -2.63 -0.33 0.00 0.00 0.00 0.00 57.16 54.21 1wvc n GLU 82 Cb 0.26 -1.54 -0.08 0.00 0.00 0.00 0.00 31.44 30.08 1wvc n GLU 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1wvc n ASN 83 N -1.33 0.09 -4.41 -1.84 5.15 0.20 -4.93 115.26 108.20 1wvc n ASN 83 Ca 0.17 -1.22 -0.32 0.00 -0.60 0.00 0.00 54.58 52.60 1wvc n ASN 83 Cb 0.67 -1.86 -0.14 0.00 -0.53 0.00 0.00 39.78 37.92 1wvc n ASN 83 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1wvc s ARG 84 N -7.22 2.60 -0.18 1.20 0.52 -0.47 -4.94 118.95 110.45 1wvc s ARG 84 Ca 0.18 -0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 1wvc s ARG 84 Cb -0.10 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 1wvc s ARG 84 CO 0.99 0.52 -0.09 1.41 0.02 0.00 0.00 175.30 178.14 1wvc s MET 85 N -0.47 3.33 -0.37 3.54 -2.45 -1.26 0.17 119.30 121.79 1wvc s MET 85 Ca 0.06 -0.67 0.03 0.00 -1.25 0.00 0.00 55.69 53.86 1wvc s MET 85 Cb -0.12 -2.82 0.11 0.00 1.25 0.00 0.00 34.83 33.24 1wvc s MET 85 CO 0.02 -0.06 0.10 -1.83 1.05 0.00 0.00 175.02 174.30 1wvc s GLU 86 N 1.08 1.38 -0.03 4.11 -1.05 0.26 -4.99 118.70 119.46 1wvc s GLU 86 Ca 0.00 -1.83 -0.30 0.00 -0.15 0.00 0.00 54.97 52.69 1wvc s GLU 86 Cb -0.15 -2.92 -0.05 0.00 -0.44 0.00 0.00 34.13 30.58 1wvc s GLU 86 CO -0.02 -0.99 1.33 0.08 0.95 0.00 0.00 175.26 176.61 1wvc s VAL 87 N 0.84 3.92 0.07 1.83 1.01 -1.26 -0.89 120.40 125.92 1wvc s VAL 87 Ca 0.12 1.28 -0.36 0.00 0.00 0.00 0.00 61.98 63.01 1wvc s VAL 87 Cb -0.20 -3.82 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 1wvc s VAL 87 CO -0.10 -0.01 1.58 0.45 0.00 0.00 0.00 175.10 177.02 1wvc h HIS 88 N 7.73 -1.26 -3.48 5.22 -0.00 -1.34 -3.40 115.15 118.63 1wvc h HIS 88 Ca -0.36 -0.01 -0.67 0.00 -0.00 0.00 0.00 60.37 59.33 1wvc h HIS 88 Cb 1.17 0.45 -0.30 0.00 -0.00 0.00 0.00 27.41 28.73 1wvc h HIS 88 CO 0.75 -0.70 -0.73 -1.01 -0.00 0.00 0.00 177.93 176.24 1wvc s HIS 89 N -5.95 3.04 -1.13 2.45 3.76 -1.26 -4.99 115.29 111.21 1wvc s HIS 89 Ca -0.19 -1.36 -0.08 0.00 -0.15 0.00 0.00 55.06 53.28 1wvc s HIS 89 Cb 0.03 -2.09 0.27 0.00 1.11 0.00 0.00 32.58 31.90 1wvc s HIS 89 CO 0.61 -0.68 1.35 1.63 -0.85 0.00 0.00 174.74 176.80 1wvc n LYS 90 N 4.72 3.86 -2.79 1.40 5.02 -1.26 -4.24 118.16 124.86 1wvc n LYS 90 Ca -0.17 -4.34 -0.42 0.00 -2.02 0.00 0.00 58.31 51.36 1wvc n LYS 90 Cb 0.48 -2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 1wvc n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wvc s ARG 91 N -1.33 4.41 -0.04 1.97 0.52 -1.26 -5.03 118.95 118.18 1wvc s ARG 91 Ca 0.33 1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 56.65 1wvc s ARG 91 Cb -0.02 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 1wvc s ARG 91 CO 0.00 -0.24 0.32 0.08 0.02 0.00 0.00 175.30 175.48 1wvc s VAL 92 N 1.77 5.19 -0.17 3.52 1.01 -1.26 -4.90 120.40 125.56 1wvc s VAL 92 Ca 0.45 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 1wvc s VAL 92 Cb -0.18 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1wvc s VAL 92 CO 0.18 0.58 -0.04 -1.61 0.00 0.00 0.00 175.10 174.21 1wvc s GLU 93 N -0.99 3.60 0.00 2.72 0.41 -1.26 -4.96 118.70 118.22 1wvc s GLU 93 Ca 0.21 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.22 1wvc s GLU 93 Cb -0.15 -2.92 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1wvc s GLU 93 CO 0.10 0.15 1.47 -0.35 -0.49 0.00 0.00 175.26 176.14 1wvc n PRO 94 N 3.80 0.78 -3.15 0.39 -0.04 -1.26 -4.81 135.00 130.70 1wvc n PRO 94 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1wvc n PRO 94 Cb 0.52 -1.11 0.03 0.00 -0.04 0.00 0.00 33.50 32.91 1wvc n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1wvc s TRP 95 N 0.42 1.89 -0.05 0.54 0.51 -1.26 -4.80 118.94 116.19 1wvc s TRP 95 Ca 0.00 -0.63 -0.02 0.00 -2.12 0.00 0.00 56.10 53.33 1wvc s TRP 95 Cb 0.00 -2.22 0.04 0.00 -0.81 0.00 0.00 33.47 30.47 1wvc s TRP 95 CO 0.00 -0.82 0.09 -0.80 -0.51 0.00 0.00 176.95 174.91 1wvc s ASN 96 N -4.51 0.37 -0.13 2.95 0.01 -0.16 -5.00 114.94 108.47 1wvc s ASN 96 Ca 0.56 0.16 -0.01 0.00 -0.71 0.00 0.00 52.86 52.87 1wvc s ASN 96 Cb -0.06 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.67 1wvc s ASN 96 CO 0.35 -0.18 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.03 1wvc s VAL 97 N 1.54 0.88 -0.23 1.60 1.01 -1.26 -1.06 120.40 122.88 1wvc s VAL 97 Ca -0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1wvc s VAL 97 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1wvc s VAL 97 CO -0.04 0.21 0.00 -0.89 0.00 0.00 0.00 175.10 174.38 1wvc s THR 98 N 1.75 3.75 -0.34 3.92 2.01 0.31 -5.01 115.64 122.02 1wvc s THR 98 Ca 0.03 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 1wvc s THR 98 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1wvc s THR 98 CO -0.07 0.38 0.30 -0.76 -0.69 0.00 0.00 174.62 173.78 1wvc s LEU 99 N 1.53 4.48 -0.12 4.42 1.43 -1.26 0.14 118.68 129.30 1wvc s LEU 99 Ca 0.06 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1wvc s LEU 99 Cb -0.15 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.83 1wvc s LEU 99 CO -0.00 -0.29 -0.20 -0.69 0.23 0.00 0.00 176.35 175.40 1wvc s VAL 100 N 1.87 2.37 -0.60 -1.59 1.01 0.42 -4.92 120.40 118.96 1wvc s VAL 100 Ca 0.09 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 1wvc s VAL 100 Cb -0.17 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1wvc s VAL 100 CO 0.11 0.54 1.49 -0.62 0.00 0.00 0.00 175.10 176.63 1wvc s ASP 101 N 0.49 5.95 -0.03 3.32 -1.08 -1.26 0.16 116.67 124.21 1wvc s ASP 101 Ca -0.13 0.19 0.09 0.00 -0.52 0.00 0.00 52.55 52.18 1wvc s ASP 101 Cb -0.17 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.08 1wvc s ASP 101 CO 0.05 -1.87 1.21 0.35 0.52 0.00 0.00 175.17 175.43 1wvc n THR 102 N 6.86 0.71 0.00 1.71 -2.24 0.13 -4.89 114.28 116.56 1wvc n THR 102 Ca 0.13 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wvc n THR 102 Cb 0.50 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1wvc n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wvc n GLY 103 N 0.83 2.14 0.21 3.38 0.00 -1.25 -4.50 105.19 106.01 1wvc n GLY 103 Ca 0.12 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1wvc n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wvc h ASP 104 N 0.00 0.76 -0.18 1.61 3.45 -1.89 -3.35 116.42 116.82 1wvc h ASP 104 Ca 0.00 -0.47 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1wvc h ASP 104 Cb 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 1wvc h ASP 104 CO 0.00 1.24 0.00 -1.54 -1.57 0.00 0.00 179.24 177.37 1wvc n SER 105 N -3.92 2.90 -4.77 6.45 3.41 -1.26 -4.64 113.62 111.80 1wvc n SER 105 Ca -0.05 -1.87 -0.33 0.00 -0.26 0.00 0.00 58.87 56.36 1wvc n SER 105 Cb 0.69 -0.11 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 1wvc n SER 105 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wvc s SER 106 N -1.46 5.10 0.43 4.04 0.01 -1.26 -4.83 113.70 115.74 1wvc s SER 106 Ca 0.28 2.05 0.05 0.00 1.31 0.00 0.00 55.95 59.64 1wvc s SER 106 Cb 0.18 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.92 1wvc s SER 106 CO 0.25 -1.64 0.56 0.23 0.41 0.00 0.00 173.24 173.05 1wvc n MET 107 N -2.31 0.62 -0.13 12.44 0.00 0.34 -4.85 117.12 123.22 1wvc n MET 107 Ca 0.11 -2.02 -0.05 0.00 0.00 0.00 0.00 57.70 55.74 1wvc n MET 107 Cb 0.52 -0.22 0.04 0.00 0.00 0.00 0.00 33.22 33.56 1wvc n MET 107 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1wvc h THR 108 N -0.05 0.85 0.72 2.03 1.35 -1.70 -0.27 112.91 115.84 1wvc h THR 108 Ca -0.19 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1wvc h THR 108 Cb 0.83 0.53 0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1wvc h THR 108 CO 0.25 0.05 -0.34 1.23 -0.25 0.00 0.00 175.52 176.46 1wvc h GLY 109 N 0.29 -1.01 -0.56 5.82 0.00 0.33 -2.24 103.07 105.71 1wvc h GLY 109 Ca 0.20 0.37 0.27 0.00 0.00 0.00 0.00 47.33 48.17 1wvc h GLY 109 CO -0.21 -0.37 0.28 -1.33 0.00 0.00 0.00 176.54 174.91 1wvc h GLY 110 N -1.20 1.52 0.66 4.60 0.00 -1.14 0.50 103.07 108.00 1wvc h GLY 110 Ca -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1wvc h GLY 110 CO 0.16 -0.44 -0.10 3.21 0.00 0.00 0.00 176.54 179.38 1wvc h ARG 111 N 0.19 -0.26 0.03 4.80 3.08 -1.07 -1.60 114.38 119.54 1wvc h ARG 111 Ca 0.61 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.69 1wvc h ARG 111 Cb 1.29 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1wvc h ARG 111 CO -0.69 0.07 -0.15 1.25 -1.07 0.00 0.00 179.97 179.38 1wvc h LEU 112 N -0.62 -0.42 -1.70 3.04 5.85 -0.58 0.10 115.31 120.98 1wvc h LEU 112 Ca -0.03 0.06 0.28 0.00 0.84 0.00 0.00 57.88 59.04 1wvc h LEU 112 Cb 0.45 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 1wvc h LEU 112 CO 0.05 -0.21 0.72 0.50 -0.34 0.00 0.00 178.44 179.15 1wvc h LYS 113 N -0.26 0.19 -0.42 1.25 3.64 -0.06 0.07 116.57 120.97 1wvc h LYS 113 Ca 0.04 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1wvc h LYS 113 Cb 0.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1wvc h LYS 113 CO -0.13 0.12 0.22 0.00 -2.27 0.00 0.00 179.45 177.40 1wvc h ARG 114 N 0.19 0.44 -1.06 1.90 2.47 0.25 -3.11 114.38 115.46 1wvc h ARG 114 Ca 0.54 -0.03 -0.28 0.00 -1.26 0.00 0.00 59.98 58.96 1wvc h ARG 114 Cb 1.76 -0.10 -0.16 0.00 -1.65 0.00 0.00 29.97 29.83 1wvc h ARG 114 CO -0.14 0.29 0.35 1.33 0.56 0.00 0.00 179.97 182.37 1wvc n VAL 115 N -4.89 2.22 0.08 2.04 0.24 0.01 -4.66 118.33 113.36 1wvc n VAL 115 Ca 0.02 -1.08 -0.05 0.00 -2.04 0.00 0.00 64.34 61.19 1wvc n VAL 115 Cb 0.09 -0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 31.62 1wvc n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wvc h ALA 116 N 1.49 -0.84 -1.22 2.33 0.00 -1.57 -2.89 119.26 116.57 1wvc h ALA 116 Ca 0.32 -0.05 0.36 0.00 0.00 0.00 0.00 54.91 55.55 1wvc h ALA 116 Cb 1.82 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 1wvc h ALA 116 CO 0.60 -0.85 0.86 0.39 0.00 0.00 0.00 179.25 180.25 1wvc n GLU 117 N -3.21 -0.01 0.06 0.00 1.02 -1.26 0.23 120.64 117.48 1wvc n GLU 117 Ca -0.03 0.74 -0.02 0.00 -0.02 0.00 0.00 57.16 57.83 1wvc n GLU 117 Cb 0.13 -1.64 0.24 0.00 -0.02 0.00 0.00 31.44 30.15 1wvc n GLU 117 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1wvc h TYR 118 N 0.00 0.39 0.00 -0.32 -1.99 -1.88 -3.32 116.97 109.85 1wvc h TYR 118 Ca 0.61 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 61.26 1wvc h TYR 118 Cb 2.35 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.99 1wvc h TYR 118 CO -0.00 0.61 -0.05 1.33 -0.00 0.00 0.00 178.16 180.05 1wvc n VAL 119 N -4.11 0.84 0.03 -2.88 0.24 0.62 -4.89 118.33 108.18 1wvc n VAL 119 Ca -0.01 -0.91 -0.10 0.00 -2.04 0.00 0.00 64.34 61.28 1wvc n VAL 119 Cb 0.41 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 1wvc n VAL 119 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1wvc h LYS 120 N 0.00 -0.25 -0.00 7.34 2.10 -1.33 -2.33 116.57 122.10 1wvc h LYS 120 Ca 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1wvc h LYS 120 Cb 0.80 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1wvc h LYS 120 CO 0.00 -0.17 0.00 -0.25 -2.00 0.00 0.00 179.45 177.03 1wvc n ASP 121 N -5.32 0.05 -4.77 7.07 8.00 -1.26 -4.84 116.55 115.49 1wvc n ASP 121 Ca -0.04 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 53.93 1wvc n ASP 121 Cb 0.24 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1wvc n ASP 121 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1wvc s ASP 122 N -1.88 6.88 0.14 -2.24 1.11 -0.88 -4.90 116.67 114.90 1wvc s ASP 122 Ca 0.42 2.51 -0.18 0.00 0.18 0.00 0.00 52.55 55.48 1wvc s ASP 122 Cb 0.19 -2.64 -0.00 0.00 1.07 0.00 0.00 42.92 41.54 1wvc s ASP 122 CO 0.33 -0.44 1.75 1.05 1.18 0.00 0.00 175.17 179.03 1wvc h GLU 123 N 3.39 0.20 -2.37 8.23 9.09 -1.89 -3.42 114.58 127.80 1wvc h GLU 123 Ca -0.48 -0.01 0.09 0.00 0.05 0.00 0.00 59.36 59.01 1wvc h GLU 123 Cb 1.22 -0.04 -0.15 0.00 -1.65 0.00 0.00 28.75 28.13 1wvc h GLU 123 CO 0.65 0.13 0.46 0.00 0.05 0.00 0.00 179.01 180.30 1wvc s ALA 124 N -6.17 -1.79 0.21 1.06 0.00 -1.26 -4.65 121.76 109.16 1wvc s ALA 124 Ca -0.13 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1wvc s ALA 124 Cb 0.10 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1wvc s ALA 124 CO 0.70 -0.70 0.10 -0.59 0.00 0.00 0.00 175.76 175.27 1wvc s PHE 125 N -3.20 1.27 -0.05 0.00 -0.12 0.17 -3.85 117.98 112.20 1wvc s PHE 125 Ca 0.05 -1.27 -0.01 0.00 -0.05 0.00 0.00 56.93 55.65 1wvc s PHE 125 Cb -0.01 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.66 1wvc s PHE 125 CO -0.09 -0.49 0.01 -0.51 -0.05 0.00 0.00 175.22 174.09 1wvc s LEU 126 N -3.21 3.60 -0.02 -1.99 1.02 0.47 0.03 118.68 118.58 1wvc s LEU 126 Ca 0.36 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.62 1wvc s LEU 126 Cb 0.07 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.39 1wvc s LEU 126 CO 0.11 0.34 0.02 0.12 0.02 0.00 0.00 176.35 176.96 1wvc s PHE 127 N -0.97 0.13 0.21 0.29 5.36 -0.04 0.10 117.98 123.05 1wvc s PHE 127 Ca 0.16 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.19 1wvc s PHE 127 Cb -0.11 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1wvc s PHE 127 CO 0.06 -0.11 0.32 -2.37 -1.46 0.00 0.00 175.22 171.66 1wvc n THR 128 N 4.20 0.00 -3.66 0.12 5.66 -0.52 0.62 114.28 120.69 1wvc n THR 128 Ca -0.27 -0.88 -0.31 0.00 -3.05 0.00 0.00 64.05 59.54 1wvc n THR 128 Cb 0.50 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 69.84 1wvc n THR 128 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1wvc s TYR 129 N -4.22 3.47 -1.83 1.09 1.51 -1.26 -2.65 117.35 113.46 1wvc s TYR 129 Ca 0.14 0.53 0.06 0.00 -1.01 0.00 0.00 57.07 56.79 1wvc s TYR 129 Cb -0.01 -1.99 0.18 0.00 -0.11 0.00 0.00 41.96 40.04 1wvc s TYR 129 CO 0.10 0.41 1.11 0.41 -1.11 0.00 0.00 175.55 176.47 1wvc n GLY 130 N -0.07 0.21 0.34 0.71 0.00 -1.02 -3.80 105.19 101.56 1wvc n GLY 130 Ca -0.03 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.81 1wvc n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wvc n ASP 131 N 0.10 1.74 -4.06 1.61 5.75 -1.26 -4.45 116.55 115.98 1wvc n ASP 131 Ca 0.07 -1.38 -0.21 0.00 -0.01 0.00 0.00 54.79 53.26 1wvc n ASP 131 Cb 0.22 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.15 1wvc n ASP 131 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wvc s GLY 132 N -0.71 0.58 0.16 6.12 0.00 -1.25 -0.40 107.32 111.82 1wvc s GLY 132 Ca 0.10 -0.48 0.10 0.00 0.00 0.00 0.00 44.72 44.44 1wvc s GLY 132 CO 0.10 -0.36 -0.19 -1.34 0.00 0.00 0.00 173.10 171.31 1wvc s VAL 133 N -0.19 2.71 0.06 1.40 -7.23 -0.28 -4.85 120.40 112.02 1wvc s VAL 133 Ca 0.03 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 1wvc s VAL 133 Cb -0.05 -2.28 0.09 0.00 0.56 0.00 0.00 36.38 34.69 1wvc s VAL 133 CO -0.00 -0.03 0.92 0.00 -0.31 0.00 0.00 175.10 175.68 1wvc s ALA 134 N -1.46 -1.76 -0.59 1.32 0.00 -1.26 -0.09 121.76 117.92 1wvc s ALA 134 Ca 0.20 0.64 0.07 0.00 0.00 0.00 0.00 51.96 52.87 1wvc s ALA 134 Cb -0.09 0.51 0.41 0.00 0.00 0.00 0.00 23.12 23.95 1wvc s ALA 134 CO 0.11 -0.84 1.15 -0.40 0.00 0.00 0.00 175.76 175.78 1wvc n ASP 135 N -0.34 3.38 -4.46 0.00 5.75 -0.91 -4.40 116.55 115.57 1wvc n ASP 135 Ca -0.08 -2.49 -0.43 0.00 -0.01 0.00 0.00 54.79 51.77 1wvc n ASP 135 Cb 0.61 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 1wvc n ASP 135 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1wvc n LEU 136 N 0.27 -0.06 -4.23 -2.12 7.94 -1.26 -4.90 117.00 112.63 1wvc n LEU 136 Ca 0.15 1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.64 1wvc n LEU 136 Cb 0.76 -1.10 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1wvc n LEU 136 CO 0.17 -2.68 0.67 -0.67 -1.11 0.00 0.00 177.39 173.77 1wvc n ASP 137 N 1.47 5.15 -0.20 1.96 -0.08 -1.26 -4.88 116.55 118.71 1wvc n ASP 137 Ca 0.12 -3.10 0.01 0.00 -1.51 0.00 0.00 54.79 50.31 1wvc n ASP 137 Cb 0.35 -1.26 0.11 0.00 2.34 0.00 0.00 41.12 42.66 1wvc n ASP 137 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1wvc h ILE 138 N 3.74 0.58 -0.38 5.18 2.04 -1.91 -1.91 117.51 124.86 1wvc h ILE 138 Ca 0.18 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1wvc h ILE 138 Cb 0.83 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.19 1wvc h ILE 138 CO 0.99 0.04 -0.46 0.11 0.00 0.00 0.00 178.15 178.82 1wvc h LYS 139 N 0.20 -0.35 -0.83 2.37 1.57 -1.90 -0.68 116.57 116.96 1wvc h LYS 139 Ca 0.32 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.32 1wvc h LYS 139 Cb 0.50 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.77 1wvc h LYS 139 CO -0.45 -0.23 0.27 0.00 -0.57 0.00 0.00 179.45 178.46 1wvc h ALA 140 N 0.28 1.20 -0.28 3.86 0.00 -1.84 0.27 119.26 122.76 1wvc h ALA 140 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1wvc h ALA 140 Cb 0.60 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1wvc h ALA 140 CO -0.56 -0.36 0.18 1.79 0.00 0.00 0.00 179.25 180.29 1wvc h THR 141 N 0.31 1.08 -0.98 0.00 1.35 -0.42 -1.74 112.91 112.51 1wvc h THR 141 Ca 0.50 -0.17 0.07 0.00 -0.55 0.00 0.00 66.41 66.25 1wvc h THR 141 Cb 0.92 0.70 -0.07 0.00 -1.73 0.00 0.00 68.15 67.98 1wvc h THR 141 CO -0.55 0.08 0.63 0.40 -0.25 0.00 0.00 175.52 175.83 1wvc h ILE 142 N 0.37 1.07 0.00 6.82 2.04 0.73 0.13 117.51 128.67 1wvc h ILE 142 Ca 0.10 -0.39 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 1wvc h ILE 142 Cb -0.02 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 1wvc h ILE 142 CO -0.02 0.21 -0.67 0.44 0.00 0.00 0.00 178.15 178.10 1wvc h ASP 143 N 1.13 0.00 -0.18 1.72 3.32 -0.80 -2.17 116.42 119.44 1wvc h ASP 143 Ca 0.43 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.40 1wvc h ASP 143 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1wvc h ASP 143 CO -0.18 0.67 -0.20 0.15 -1.72 0.00 0.00 179.24 177.97 1wvc h PHE 144 N 0.00 0.54 0.00 4.55 3.57 -0.62 1.18 116.94 126.16 1wvc h PHE 144 Ca -0.01 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1wvc h PHE 144 Cb 1.31 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1wvc h PHE 144 CO 0.00 0.83 -0.12 1.25 -2.23 0.00 0.00 178.31 178.04 1wvc h HIS 145 N 0.10 0.00 0.08 0.41 2.76 -0.69 -1.22 115.15 116.60 1wvc h HIS 145 Ca 0.03 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1wvc h HIS 145 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1wvc h HIS 145 CO 0.08 0.12 -0.04 0.87 -1.30 0.00 0.00 177.93 177.67 1wvc h LYS 146 N 0.00 -0.11 -0.63 5.26 1.79 -0.90 -1.96 116.57 120.02 1wvc h LYS 146 Ca -0.00 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1wvc h LYS 146 Cb 0.25 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.83 1wvc h LYS 146 CO 0.02 -0.07 -0.30 0.00 -1.08 0.00 0.00 179.45 178.02 1wvc n ALA 147 N -2.27 -0.22 0.19 3.86 0.00 0.40 0.04 120.51 122.52 1wvc n ALA 147 Ca -0.01 0.59 0.06 0.00 0.00 0.00 0.00 53.44 54.07 1wvc n ALA 147 Cb 0.04 -0.20 0.38 0.00 0.00 0.00 0.00 19.45 19.67 1wvc n ALA 147 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1wvc h HIS 148 N 0.00 0.00 0.00 0.00 2.07 -1.35 -3.48 115.15 112.40 1wvc h HIS 148 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1wvc h HIS 148 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 1wvc h HIS 148 CO -0.59 0.36 0.00 0.41 -3.07 0.00 0.00 177.93 175.04 1wvc n GLY 149 N 0.02 0.61 3.74 6.13 0.00 0.11 -4.97 105.19 110.82 1wvc n GLY 149 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wvc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvc s LYS 150 N -0.30 1.80 0.30 1.61 1.02 -1.26 -4.95 119.74 117.97 1wvc s LYS 150 Ca 0.00 1.09 0.01 0.00 0.02 0.00 0.00 55.97 57.09 1wvc s LYS 150 Cb 0.00 -1.85 0.56 0.00 -0.52 0.00 0.00 37.83 36.01 1wvc s LYS 150 CO 0.00 -1.94 1.90 0.87 -0.92 0.00 0.00 175.35 175.26 1wvc h LYS 151 N -1.34 0.97 -4.65 1.68 1.57 -1.94 -3.45 116.57 109.41 1wvc h LYS 151 Ca -0.46 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 57.95 1wvc h LYS 151 Cb 1.25 -0.22 -0.24 0.00 0.08 0.00 0.00 32.23 33.11 1wvc h LYS 151 CO 0.51 0.64 -0.75 0.00 -0.57 0.00 0.00 179.45 179.29 1wvc s ALA 152 N -5.89 0.66 -0.01 3.86 0.00 -1.17 0.10 121.76 119.31 1wvc s ALA 152 Ca -0.11 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1wvc s ALA 152 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1wvc s ALA 152 CO 0.80 0.06 -0.09 0.99 0.00 0.00 0.00 175.76 177.52 1wvc s THR 153 N -0.96 0.70 0.13 0.00 2.01 -0.11 -1.42 115.64 115.99 1wvc s THR 153 Ca -0.05 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1wvc s THR 153 Cb -0.08 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1wvc s THR 153 CO 0.00 0.20 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.56 1wvc s LEU 154 N -0.21 2.52 -0.24 4.42 0.05 -0.86 0.02 118.68 124.37 1wvc s LEU 154 Ca 0.03 -1.00 -0.09 0.00 0.05 0.00 0.00 54.13 53.12 1wvc s LEU 154 Cb -0.03 -0.25 -0.04 0.00 -2.05 0.00 0.00 46.19 43.81 1wvc s LEU 154 CO -0.00 -0.37 0.13 -0.89 -0.55 0.00 0.00 176.35 174.66 1wvc s THR 155 N -3.40 5.02 -0.07 5.48 2.01 -0.93 0.29 115.64 124.04 1wvc s THR 155 Ca 0.15 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 1wvc s THR 155 Cb 0.03 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1wvc s THR 155 CO -0.01 0.34 0.40 0.00 -0.69 0.00 0.00 174.62 174.65 1wvc s ALA 156 N 1.25 3.61 0.26 7.40 0.00 0.40 -0.98 121.76 133.70 1wvc s ALA 156 Ca 0.06 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1wvc s ALA 156 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1wvc s ALA 156 CO 0.05 0.26 0.17 0.95 0.00 0.00 0.00 175.76 177.19 1wvc s THR 157 N -0.24 0.09 0.03 0.00 -4.23 0.35 -0.27 115.64 111.37 1wvc s THR 157 Ca 0.23 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 1wvc s THR 157 Cb -0.15 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1wvc s THR 157 CO 0.10 0.00 0.29 -0.36 -0.54 0.00 0.00 174.62 174.12 1wvc s PHE 158 N -3.85 3.57 0.65 3.99 0.40 -1.25 0.19 117.98 121.67 1wvc s PHE 158 Ca 0.39 0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 57.23 1wvc s PHE 158 Cb 0.06 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.61 1wvc s PHE 158 CO 0.17 0.58 0.98 -1.25 0.70 0.00 0.00 175.22 176.41 1wvc s PRO 159 N -1.89 2.68 -0.09 0.24 0.04 -1.26 -4.81 135.00 129.91 1wvc s PRO 159 Ca 0.30 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 61.26 1wvc s PRO 159 Cb -0.13 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1wvc s PRO 159 CO 0.18 -0.95 0.28 -2.14 0.04 0.00 0.00 177.00 174.41 1wvc s PRO 160 N -5.16 3.84 -0.21 0.56 0.02 -1.26 -4.89 135.00 127.89 1wvc s PRO 160 Ca 0.57 0.13 -0.06 0.00 0.02 0.00 0.00 61.00 61.65 1wvc s PRO 160 Cb -0.11 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 1wvc s PRO 160 CO 0.47 0.60 0.03 0.20 -0.33 0.00 0.00 177.00 177.97 1wvc s GLY 161 N -0.65 1.77 -0.02 0.52 0.00 -1.26 -5.08 107.32 102.59 1wvc s GLY 161 Ca 0.18 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.97 1wvc s GLY 161 CO 0.07 0.28 1.00 0.54 0.00 0.00 0.00 173.10 174.99 1wvc n ARG 162 N 4.28 1.55 0.00 2.90 3.00 -1.26 -4.95 116.66 122.19 1wvc n ARG 162 Ca -0.17 -0.63 0.00 0.00 -0.01 0.00 0.00 57.85 57.04 1wvc n ARG 162 Cb 0.52 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.66 1wvc n ARG 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wvc n GLY 164 N 0.54 -0.17 3.70 -0.13 0.00 -1.26 -5.28 105.19 102.59 1wvc n GLY 164 Ca 0.06 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1wvc n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvc s ALA 165 N 0.00 3.60 0.32 4.61 0.00 -1.26 -4.96 121.76 124.07 1wvc s ALA 165 Ca 0.00 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1wvc s ALA 165 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1wvc s ALA 165 CO 0.00 -0.88 0.09 -0.51 0.00 0.00 0.00 175.76 174.47 1wvc s LEU 166 N 2.12 3.21 -0.47 0.00 1.43 -1.26 0.42 118.68 124.13 1wvc s LEU 166 Ca 0.66 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1wvc s LEU 166 Cb -0.34 -1.68 0.12 0.00 0.03 0.00 0.00 46.19 44.32 1wvc s LEU 166 CO 0.29 -0.22 0.27 -0.62 0.23 0.00 0.00 176.35 176.29 1wvc s ASP 167 N -3.79 5.29 -0.15 2.29 2.15 0.47 -4.87 116.67 118.06 1wvc s ASP 167 Ca 0.36 -2.22 0.02 0.00 0.43 0.00 0.00 52.55 51.13 1wvc s ASP 167 Cb -0.03 -1.85 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 1wvc s ASP 167 CO 0.22 -0.51 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.88 1wvc s ILE 168 N 0.86 1.96 -0.08 4.11 1.01 -1.26 0.27 121.20 128.06 1wvc s ILE 168 Ca 0.10 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1wvc s ILE 168 Cb -0.22 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1wvc s ILE 168 CO -0.04 0.53 -0.06 -1.10 0.00 0.00 0.00 174.94 174.26 1wvc s GLN 169 N 1.09 1.27 -1.47 2.79 -0.21 -0.77 -4.84 119.66 117.52 1wvc s GLN 169 Ca -0.01 -0.19 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 1wvc s GLN 169 Cb -0.14 -1.31 0.06 0.00 1.00 0.00 0.00 33.01 32.62 1wvc s GLN 169 CO -0.07 -0.19 0.82 0.00 -2.12 0.00 0.00 175.29 173.73 1wvc n ALA 170 N 4.62 -1.57 -1.06 6.09 0.00 -1.26 -1.38 120.51 125.96 1wvc n ALA 170 Ca -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1wvc n ALA 170 Cb 0.50 -3.35 -0.01 0.00 0.00 0.00 0.00 19.45 16.59 1wvc n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wvc n GLY 171 N -1.67 0.38 3.32 0.00 0.00 -1.26 -4.99 105.19 100.98 1wvc n GLY 171 Ca -0.09 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1wvc n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wvc s GLN 172 N -1.47 3.36 -0.32 1.61 0.74 -0.48 -5.06 119.66 118.05 1wvc s GLN 172 Ca 0.00 -0.66 -0.29 0.00 0.05 0.00 0.00 55.36 54.47 1wvc s GLN 172 Cb 0.00 -2.84 -0.00 0.00 1.10 0.00 0.00 33.01 31.27 1wvc s GLN 172 CO 0.00 -0.04 1.45 0.08 -0.55 0.00 0.00 175.29 176.23 1wvc s VAL 173 N 1.02 3.91 0.02 1.34 1.01 -1.26 -1.84 120.40 124.60 1wvc s VAL 173 Ca -0.00 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.92 1wvc s VAL 173 Cb -0.15 -4.03 -0.29 0.00 0.00 0.00 0.00 36.38 31.92 1wvc s VAL 173 CO -0.01 -0.51 0.92 -0.09 0.00 0.00 0.00 175.10 175.41 1wvc h ARG 174 N 10.32 0.29 -1.75 2.72 2.43 0.33 -3.49 114.38 125.24 1wvc h ARG 174 Ca -0.29 -0.49 0.23 0.00 -0.81 0.00 0.00 59.98 58.62 1wvc h ARG 174 Cb 1.12 0.18 -0.15 0.00 -0.42 0.00 0.00 29.97 30.70 1wvc h ARG 174 CO 1.04 1.18 0.71 -1.54 -1.51 0.00 0.00 179.97 179.85 1wvc s SER 175 N -7.09 -0.17 -0.38 -3.80 1.04 -1.15 -5.00 113.70 97.14 1wvc s SER 175 Ca -0.08 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1wvc s SER 175 Cb 0.07 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1wvc s SER 175 CO 0.87 -0.41 0.25 -0.36 0.98 0.00 0.00 173.24 174.56 1wvc s PHE 176 N -2.68 3.24 0.00 5.02 0.40 -1.26 -0.39 117.98 122.31 1wvc s PHE 176 Ca 0.10 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1wvc s PHE 176 Cb 0.00 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 41.03 1wvc s PHE 176 CO -0.05 -0.60 0.00 1.04 0.70 0.00 0.00 175.22 176.32 1wvc n GLN 177 N 5.07 0.00 -0.82 0.44 6.02 0.17 -5.01 117.38 123.25 1wvc n GLN 177 Ca -0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.60 1wvc n GLN 177 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.72 1wvc n GLN 177 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1wvc n LYS 181 N 0.00 0.00 0.00 -1.09 -0.00 -1.26 -4.82 118.16 110.99 1wvc n LYS 181 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wvc n LYS 181 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.42 1wvc n LYS 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wvc n GLY 182 N 1.34 -0.04 0.58 2.58 0.00 -1.26 -5.03 105.19 103.36 1wvc n GLY 182 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1wvc n GLY 182 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wvc n ASP 183 N -2.29 1.33 -1.70 1.61 5.68 -1.26 -4.79 116.55 115.12 1wvc n ASP 183 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1wvc n ASP 183 Cb 0.00 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.04 1wvc n ASP 183 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wvc n GLY 184 N 2.50 6.11 1.66 6.12 0.00 -1.26 -4.75 105.19 115.58 1wvc n GLY 184 Ca 0.00 -2.35 -0.16 0.00 0.00 0.00 0.00 46.02 43.50 1wvc n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvc n ALA 185 N -0.81 4.96 -2.49 4.61 0.00 -1.26 -5.05 120.51 120.48 1wvc n ALA 185 Ca 0.39 -3.37 -0.24 0.00 0.00 0.00 0.00 53.44 50.22 1wvc n ALA 185 Cb 0.91 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 1wvc n ALA 185 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wvc s MET 186 N -3.45 2.26 0.31 0.00 -1.94 -1.26 -4.62 119.30 110.60 1wvc s MET 186 Ca 0.51 -1.69 0.03 0.00 -1.71 0.00 0.00 55.69 52.83 1wvc s MET 186 Cb 0.43 -2.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 1wvc s MET 186 CO 0.01 0.04 0.14 0.96 -0.01 0.00 0.00 175.02 176.16 1wvc s ILE 187 N -2.50 0.45 -0.31 2.53 -4.36 0.50 -4.87 121.20 112.64 1wvc s ILE 187 Ca 0.38 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.52 1wvc s ILE 187 Cb 0.00 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.19 1wvc s ILE 187 CO 0.22 0.00 0.91 0.21 0.24 0.00 0.00 174.94 176.51 1wvc s ASN 188 N -3.40 6.77 -0.16 4.36 2.47 -1.26 0.13 114.94 123.84 1wvc s ASN 188 Ca 0.34 0.80 0.16 0.00 0.42 0.00 0.00 52.86 54.58 1wvc s ASN 188 Cb 0.05 -2.46 0.61 0.00 -1.45 0.00 0.00 41.25 38.01 1wvc s ASN 188 CO 0.17 -0.73 1.53 0.61 -3.72 0.00 0.00 177.10 174.95 1wvc n GLY 189 N 4.08 3.40 6.64 1.21 0.00 -0.16 -4.90 105.19 115.46 1wvc n GLY 189 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1wvc n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvc n GLY 190 N 0.19 0.88 3.81 -0.02 0.00 -1.26 -4.89 105.19 103.90 1wvc n GLY 190 Ca 0.23 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 1wvc n GLY 190 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wvc n PHE 191 N 11.38 -1.74 -3.69 1.61 3.01 -1.23 -2.20 117.46 124.60 1wvc n PHE 191 Ca 0.00 0.60 -0.32 0.00 1.01 0.00 0.00 57.45 58.73 1wvc n PHE 191 Cb 0.00 -2.56 -0.05 0.00 -0.01 0.00 0.00 39.48 36.86 1wvc n PHE 191 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1wvc s PHE 192 N -3.09 3.51 -0.18 1.38 0.40 0.20 -2.69 117.98 117.51 1wvc s PHE 192 Ca 0.11 0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1wvc s PHE 192 Cb -0.06 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.46 1wvc s PHE 192 CO 0.86 0.48 -0.11 0.08 0.70 0.00 0.00 175.22 177.23 1wvc s VAL 193 N -1.56 2.99 0.09 -0.44 1.01 0.10 -0.86 120.40 121.74 1wvc s VAL 193 Ca 0.37 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1wvc s VAL 193 Cb -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1wvc s VAL 193 CO 0.23 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 175.08 1wvc s LEU 194 N 0.99 2.07 -0.28 3.92 1.43 0.10 -0.93 118.68 125.98 1wvc s LEU 194 Ca -0.01 -1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 51.85 1wvc s LEU 194 Cb -0.15 0.31 -0.03 0.00 0.03 0.00 0.00 46.19 46.35 1wvc s LEU 194 CO -0.01 -0.67 0.39 0.21 0.23 0.00 0.00 176.35 176.49 1wvc s ASN 195 N -2.98 6.26 0.35 2.29 2.47 0.12 -0.66 114.94 122.79 1wvc s ASN 195 Ca 0.15 0.25 0.16 0.00 0.42 0.00 0.00 52.86 53.84 1wvc s ASN 195 Cb 0.07 -2.22 1.18 0.00 -1.45 0.00 0.00 41.25 38.84 1wvc s ASN 195 CO -0.04 -0.22 1.59 -0.65 -3.72 0.00 0.00 177.10 174.06 1wvc h PRO 196 N 8.20 0.05 -0.62 0.43 0.11 -1.82 2.89 132.00 141.23 1wvc h PRO 196 Ca -0.31 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.98 1wvc h PRO 196 Cb 1.16 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1wvc h PRO 196 CO 0.66 0.03 0.73 0.66 -0.21 0.00 0.00 178.00 179.87 1wvc h SER 197 N 0.05 0.00 0.73 -2.05 4.64 -1.92 -0.27 113.55 114.73 1wvc h SER 197 Ca 0.78 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.08 1wvc h SER 197 Cb 1.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1wvc h SER 197 CO -0.78 0.00 -0.10 0.58 -0.87 0.00 0.00 176.83 175.66 1wvc h VAL 198 N 0.00 0.32 -0.04 0.95 2.07 0.49 -3.01 116.25 117.03 1wvc h VAL 198 Ca 0.29 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1wvc h VAL 198 Cb 1.75 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1wvc h VAL 198 CO -0.00 0.10 0.05 0.40 0.02 0.00 0.00 177.57 178.14 1wvc h ILE 199 N 0.00 0.41 -0.01 4.57 2.04 -1.19 -0.61 117.51 122.72 1wvc h ILE 199 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1wvc h ILE 199 Cb 0.49 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1wvc h ILE 199 CO 0.01 0.00 0.08 0.44 0.00 0.00 0.00 178.15 178.68 1wvc h ASP 200 N 0.00 0.00 1.34 1.72 3.32 -1.74 0.31 116.42 121.37 1wvc h ASP 200 Ca 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1wvc h ASP 200 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1wvc h ASP 200 CO -0.00 0.00 -0.61 -0.07 -1.72 0.00 0.00 179.24 176.84 1wvc h LEU 201 N 0.00 0.00 -9.08 1.55 3.38 -1.33 -3.43 115.31 106.40 1wvc h LEU 201 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.40 1wvc h LEU 201 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1wvc h LEU 201 CO -0.00 0.61 0.84 -0.63 0.09 0.00 0.00 178.44 179.35 1wvc s ILE 202 N -2.94 4.54 0.09 1.22 1.01 0.11 -4.57 121.20 120.65 1wvc s ILE 202 Ca 0.03 1.84 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 1wvc s ILE 202 Cb 0.08 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 38.08 1wvc s ILE 202 CO 0.76 -0.22 1.20 0.44 0.00 0.00 0.00 174.94 177.13 1wvc h ASP 203 N 7.79 0.60 -5.85 3.58 3.32 -1.85 -3.50 116.42 120.52 1wvc h ASP 203 Ca -0.21 -0.54 0.35 0.00 0.02 0.00 0.00 57.03 56.65 1wvc h ASP 203 Cb 1.07 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.37 1wvc h ASP 203 CO 0.99 1.37 0.92 0.54 -1.72 0.00 0.00 179.24 181.34 1wvc s ASN 204 N -7.20 0.01 0.48 6.45 2.20 -1.26 -5.00 114.94 110.62 1wvc s ASN 204 Ca -0.06 -0.18 0.28 0.00 -0.94 0.00 0.00 52.86 51.96 1wvc s ASN 204 Cb 0.07 0.13 1.35 0.00 -2.00 0.00 0.00 41.25 40.81 1wvc s ASN 204 CO 0.89 -0.26 1.81 0.44 -2.94 0.00 0.00 177.10 177.04 1wvc h ASP 205 N 2.00 0.19 0.29 3.54 3.32 -1.92 0.72 116.42 124.55 1wvc h ASP 205 Ca -0.21 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1wvc h ASP 205 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1wvc h ASP 205 CO 0.31 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1wvc n ALA 206 N -2.64 2.10 -2.37 3.45 0.00 -1.26 0.13 120.51 119.92 1wvc n ALA 206 Ca 0.24 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1wvc n ALA 206 Cb 1.04 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1wvc n ALA 206 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wvc s THR 207 N -2.45 3.97 -0.57 0.00 2.01 0.25 -4.66 115.64 114.20 1wvc s THR 207 Ca 0.21 1.37 -0.16 0.00 0.31 0.00 0.00 61.69 63.42 1wvc s THR 207 Cb 0.14 -3.88 0.13 0.00 0.01 0.00 0.00 72.50 68.90 1wvc s THR 207 CO 0.29 0.04 0.54 -0.89 -0.69 0.00 0.00 174.62 173.92 1wvc s THR 208 N 1.77 5.20 0.54 -0.82 2.01 -1.26 0.26 115.64 123.33 1wvc s THR 208 Ca 0.59 -1.52 0.46 0.00 0.31 0.00 0.00 61.69 61.53 1wvc s THR 208 Cb -0.29 -4.37 0.69 0.00 0.01 0.00 0.00 72.50 68.54 1wvc s THR 208 CO 0.26 -0.91 1.59 -0.25 -0.69 0.00 0.00 174.62 174.62 1wvc h TRP 209 N 8.84 0.10 -0.19 4.92 2.91 -1.91 0.25 115.95 130.86 1wvc h TRP 209 Ca -0.27 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1wvc h TRP 209 Cb 1.09 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1wvc h TRP 209 CO 0.76 -0.05 0.00 0.39 -1.03 0.00 0.00 178.44 178.52 1wvc n GLU 210 N -4.10 1.57 0.00 2.65 4.71 -1.26 -1.53 120.64 122.69 1wvc n GLU 210 Ca 0.43 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.84 1wvc n GLU 210 Cb 1.89 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 31.06 1wvc n GLU 210 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1wvc n GLN 211 N 0.10 0.00 -0.13 3.49 1.13 0.89 -4.61 117.38 118.24 1wvc n GLN 211 Ca 0.07 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.86 1wvc n GLN 211 Cb 0.23 -0.18 -0.10 0.00 0.11 0.00 0.00 30.24 30.30 1wvc n GLN 211 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1wvc n GLU 212 N -2.11 0.58 0.00 -1.09 4.71 -1.26 -3.11 120.64 118.37 1wvc n GLU 212 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.48 1wvc n GLU 212 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1wvc n GLU 212 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1wvc n PRO 213 N -4.30 0.00 -0.06 3.49 -0.02 -1.25 0.60 135.00 133.46 1wvc n PRO 213 Ca -0.48 0.76 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 1wvc n PRO 213 Cb 0.82 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.83 1wvc n PRO 213 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1wvc h LEU 214 N 0.00 -0.44 -0.13 2.45 3.38 -1.50 -0.94 115.31 118.12 1wvc h LEU 214 Ca 0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wvc h LEU 214 Cb 0.00 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1wvc h LEU 214 CO 0.00 -0.17 -0.08 0.24 0.09 0.00 0.00 178.44 178.52 1wvc h MET 215 N -0.11 -0.08 -0.83 1.13 2.86 -1.37 -0.62 114.93 115.91 1wvc h MET 215 Ca 0.14 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1wvc h MET 215 Cb 0.31 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 1wvc h MET 215 CO -0.32 -0.05 0.51 1.15 1.06 0.00 0.00 176.91 179.26 1wvc h THR 216 N -0.08 1.02 -0.88 2.22 2.02 0.43 0.28 112.91 117.92 1wvc h THR 216 Ca 0.08 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1wvc h THR 216 Cb 0.20 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1wvc h THR 216 CO -0.19 0.17 0.49 -0.07 0.37 0.00 0.00 175.52 176.29 1wvc h LEU 217 N 0.92 1.10 0.38 2.58 3.38 -0.21 0.77 115.31 124.24 1wvc h LEU 217 Ca 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1wvc h LEU 217 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wvc h LEU 217 CO -0.18 0.88 -0.18 0.00 0.09 0.00 0.00 178.44 179.05 1wvc h ALA 218 N 1.26 -0.51 -0.61 1.53 0.00 -0.22 0.35 119.26 121.06 1wvc h ALA 218 Ca 0.31 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.20 1wvc h ALA 218 Cb 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1wvc h ALA 218 CO -0.05 -0.64 0.43 0.37 0.00 0.00 0.00 179.25 179.36 1wvc h GLN 219 N -0.81 0.10 0.00 0.00 5.75 -0.09 0.35 115.11 120.42 1wvc h GLN 219 Ca -0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1wvc h GLN 219 Cb 0.53 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1wvc h GLN 219 CO 0.09 0.07 0.00 1.04 -2.65 0.00 0.00 178.83 177.37 1wvc n GLN 220 N -4.40 0.77 -1.29 1.69 6.02 0.26 -4.85 117.38 115.58 1wvc n GLN 220 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1wvc n GLN 220 Cb 0.61 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.33 1wvc n GLN 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wvc n GLY 221 N 1.00 1.09 0.96 1.08 0.00 0.12 -4.81 105.19 104.64 1wvc n GLY 221 Ca 0.20 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1wvc n GLY 221 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wvc n GLU 222 N -1.82 2.37 -3.83 1.61 -0.58 0.11 -4.93 120.64 113.57 1wvc n GLU 222 Ca -0.10 -2.14 -0.36 0.00 -0.42 0.00 0.00 57.16 54.14 1wvc n GLU 222 Cb 0.44 -1.42 -0.13 0.00 -0.57 0.00 0.00 31.44 29.76 1wvc n GLU 222 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1wvc s LEU 223 N -1.20 3.67 0.11 -4.62 2.96 -0.40 -3.06 118.68 116.15 1wvc s LEU 223 Ca 0.33 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1wvc s LEU 223 Cb 0.19 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1wvc s LEU 223 CO 0.25 -0.18 0.24 -0.04 -1.32 0.00 0.00 176.35 175.30 1wvc s MET 224 N 1.42 3.38 -0.14 1.98 -1.94 -0.51 -4.86 119.30 118.63 1wvc s MET 224 Ca 0.01 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1wvc s MET 224 Cb -0.17 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 33.72 1wvc s MET 224 CO 0.00 0.56 -0.14 0.00 -0.01 0.00 0.00 175.02 175.43 1wvc s ALA 225 N -1.63 1.77 -0.29 3.03 0.00 -1.26 -2.03 121.76 121.34 1wvc s ALA 225 Ca 0.34 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1wvc s ALA 225 Cb -0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 1wvc s ALA 225 CO 0.28 -0.32 0.62 0.12 0.00 0.00 0.00 175.76 176.45 1wvc s PHE 226 N 1.41 3.24 -0.22 0.00 5.36 0.15 -4.85 117.98 123.07 1wvc s PHE 226 Ca 0.03 0.65 -0.26 0.00 -0.96 0.00 0.00 56.93 56.39 1wvc s PHE 226 Cb -0.13 -2.92 -0.00 0.00 -0.34 0.00 0.00 43.02 39.62 1wvc s PHE 226 CO -0.09 -0.42 0.88 -1.21 -1.46 0.00 0.00 175.22 172.93 1wvc s GLU 227 N 2.55 4.24 -0.23 10.12 2.02 -1.26 0.15 118.70 136.29 1wvc s GLU 227 Ca 0.25 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1wvc s GLU 227 Cb -0.15 -3.62 0.03 0.00 0.10 0.00 0.00 34.13 30.49 1wvc s GLU 227 CO 0.11 -0.48 -0.11 -1.58 0.02 0.00 0.00 175.26 173.21 1wvc s HIS 228 N 2.70 3.02 -0.00 1.61 5.65 0.63 -4.93 115.29 123.97 1wvc s HIS 228 Ca 0.38 -1.74 0.10 0.00 0.25 0.00 0.00 55.06 54.05 1wvc s HIS 228 Cb -0.16 -1.99 -0.23 0.00 -1.18 0.00 0.00 32.58 29.02 1wvc s HIS 228 CO 0.09 -0.78 0.83 -1.00 -0.65 0.00 0.00 174.74 173.22 1wvc h PRO 229 N 7.94 0.02 0.00 2.88 0.13 -1.96 -3.33 132.00 137.68 1wvc h PRO 229 Ca -0.34 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1wvc h PRO 229 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1wvc h PRO 229 CO 0.57 0.68 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 1wvc n GLY 230 N 1.52 -3.32 3.70 1.56 0.00 -1.26 -4.83 105.19 102.56 1wvc n GLY 230 Ca -0.13 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1wvc n GLY 230 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wvc s PHE 231 N 0.00 3.00 -0.21 1.61 5.36 -1.26 -4.81 117.98 121.67 1wvc s PHE 231 Ca 0.00 0.91 -0.13 0.00 -0.96 0.00 0.00 56.93 56.75 1wvc s PHE 231 Cb 0.00 -3.63 0.07 0.00 -0.34 0.00 0.00 43.02 39.12 1wvc s PHE 231 CO 0.00 -2.26 0.52 -0.46 -1.46 0.00 0.00 175.22 171.56 1wvc s TRP 232 N 2.01 -0.77 -0.21 10.12 -0.00 -1.26 -2.14 118.94 126.69 1wvc s TRP 232 Ca 0.63 1.61 -0.14 0.00 -0.00 0.00 0.00 56.10 58.20 1wvc s TRP 232 Cb -0.32 0.39 0.06 0.00 -0.00 0.00 0.00 33.47 33.60 1wvc s TRP 232 CO 0.27 -0.40 0.53 -1.14 -0.00 0.00 0.00 176.95 176.21 1wvc s GLN 233 N 1.35 0.55 0.55 5.86 2.00 0.88 -4.81 119.66 126.03 1wvc s GLN 233 Ca -0.09 0.91 0.08 0.00 -2.00 0.00 0.00 55.36 54.27 1wvc s GLN 233 Cb -0.07 0.11 0.06 0.00 0.80 0.00 0.00 33.01 33.91 1wvc s GLN 233 CO -0.14 -0.13 0.65 -1.25 -0.50 0.00 0.00 175.29 173.91 1wvc s PRO 234 N 1.19 2.34 -0.24 1.67 0.04 -1.26 -1.12 135.00 137.62 1wvc s PRO 234 Ca -0.07 -1.71 -0.03 0.00 0.04 0.00 0.00 61.00 59.23 1wvc s PRO 234 Cb -0.06 -2.49 0.08 0.00 0.04 0.00 0.00 34.50 32.07 1wvc s PRO 234 CO -0.12 -0.71 0.09 1.41 0.04 0.00 0.00 177.00 177.71 1wvc s MET 235 N -4.51 0.40 -0.00 4.56 1.75 0.46 -4.86 119.30 117.11 1wvc s MET 235 Ca 0.53 -0.51 0.01 0.00 -1.25 0.00 0.00 55.69 54.47 1wvc s MET 235 Cb -0.05 -1.75 -0.01 0.00 2.84 0.00 0.00 34.83 35.86 1wvc s MET 235 CO 0.33 -0.83 0.01 -0.25 -0.65 0.00 0.00 175.02 173.63 1wvc n ASP 236 N 5.12 4.87 -4.13 1.11 8.00 -1.26 -4.85 116.55 125.41 1wvc n ASP 236 Ca -0.06 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.20 1wvc n ASP 236 Cb 0.45 0.83 -0.09 0.00 -0.02 0.00 0.00 41.12 42.29 1wvc n ASP 236 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wvc s THR 237 N -2.03 0.63 0.10 -3.53 -4.23 -1.26 -3.58 115.64 101.74 1wvc s THR 237 Ca -0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1wvc s THR 237 Cb 0.00 -2.43 -0.11 0.00 1.34 0.00 0.00 72.50 71.30 1wvc s THR 237 CO 0.02 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.09 1wvc h LEU 238 N 1.90 0.01 -1.41 4.79 5.85 -1.94 -2.02 115.31 122.48 1wvc h LEU 238 Ca -0.36 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.46 1wvc h LEU 238 Cb 1.27 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1wvc h LEU 238 CO 0.57 0.02 0.48 0.03 -0.34 0.00 0.00 178.44 179.20 1wvc h ARG 239 N 0.05 0.66 -0.71 1.25 2.47 -1.97 0.12 114.38 116.25 1wvc h ARG 239 Ca 0.03 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1wvc h ARG 239 Cb 0.02 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.15 1wvc h ARG 239 CO -0.04 0.44 0.46 -0.44 0.56 0.00 0.00 179.97 180.95 1wvc h ASP 240 N 0.68 0.76 0.43 7.04 3.32 -1.72 -1.88 116.42 125.05 1wvc h ASP 240 Ca 0.33 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1wvc h ASP 240 Cb 0.38 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1wvc h ASP 240 CO -0.11 0.54 -0.21 0.50 -1.72 0.00 0.00 179.24 178.24 1wvc h LYS 241 N 0.91 -0.56 -0.98 3.56 3.64 -0.61 -2.78 116.57 119.76 1wvc h LYS 241 Ca 0.28 0.04 0.33 0.00 -1.27 0.00 0.00 60.65 60.03 1wvc h LYS 241 Cb -0.03 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 31.75 1wvc h LYS 241 CO -0.09 -0.37 0.41 0.28 -2.27 0.00 0.00 179.45 177.41 1wvc h VAL 242 N -0.63 0.15 -0.09 2.00 2.07 -1.19 1.52 116.25 120.09 1wvc h VAL 242 Ca -0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1wvc h VAL 242 Cb 0.44 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1wvc h VAL 242 CO 0.10 0.03 0.02 0.22 0.02 0.00 0.00 177.57 177.95 1wvc h TYR 243 N 0.14 0.15 -0.57 1.57 3.20 -1.38 0.54 116.97 120.61 1wvc h TYR 243 Ca 0.72 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.48 1wvc h TYR 243 Cb 1.70 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.91 1wvc h TYR 243 CO -0.14 0.33 0.01 -0.07 -1.64 0.00 0.00 178.16 176.66 1wvc h LEU 244 N -0.08 0.98 -0.24 2.82 3.38 -0.28 0.55 115.31 122.44 1wvc h LEU 244 Ca 0.03 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1wvc h LEU 244 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1wvc h LEU 244 CO 0.00 1.04 0.09 -0.33 0.09 0.00 0.00 178.44 179.33 1wvc h GLU 245 N 0.89 0.19 -0.12 1.13 4.39 0.22 -0.67 114.58 120.62 1wvc h GLU 245 Ca 0.16 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 1wvc h GLU 245 Cb 0.53 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1wvc h GLU 245 CO 0.03 0.13 0.07 0.78 -1.16 0.00 0.00 179.01 178.86 1wvc h GLY 246 N 0.20 0.17 0.36 -3.84 0.00 0.48 0.26 103.07 100.71 1wvc h GLY 246 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.43 1wvc h GLY 246 CO -0.10 0.07 -0.04 1.41 0.00 0.00 0.00 176.54 177.87 1wvc h LEU 247 N 0.13 -0.23 -0.06 3.11 3.38 0.46 -2.76 115.31 119.35 1wvc h LEU 247 Ca 0.04 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1wvc h LEU 247 Cb 0.02 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1wvc h LEU 247 CO -0.01 -0.07 -0.07 -0.25 0.09 0.00 0.00 178.44 178.13 1wvc h TRP 248 N 0.05 -0.16 -0.33 1.13 2.91 -0.77 0.45 115.95 119.22 1wvc h TRP 248 Ca 0.17 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.24 1wvc h TRP 248 Cb 0.25 0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.91 1wvc h TRP 248 CO -0.28 -0.10 -0.50 1.05 -1.03 0.00 0.00 178.44 177.57 1wvc h GLU 249 N -0.09 -0.37 -0.08 2.65 4.11 -0.66 -1.01 114.58 119.12 1wvc h GLU 249 Ca 0.05 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1wvc h GLU 249 Cb 0.15 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1wvc h GLU 249 CO -0.11 -0.25 0.00 1.63 0.07 0.00 0.00 179.01 180.36 1wvc n LYS 250 N -5.10 0.13 -3.75 1.06 5.02 -1.13 -4.74 118.16 109.65 1wvc n LYS 250 Ca -0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1wvc n LYS 250 Cb 0.31 -1.04 0.04 0.00 -0.02 0.00 0.00 35.03 34.32 1wvc n LYS 250 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wvc n GLY 251 N 0.15 -0.52 2.41 0.72 0.00 -0.38 -4.91 105.19 102.66 1wvc n GLY 251 Ca 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1wvc n GLY 251 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvc n LYS 252 N -4.72 1.71 -3.47 1.61 5.02 0.16 -4.97 118.16 113.49 1wvc n LYS 252 Ca 0.02 -3.91 -0.30 0.00 -2.02 0.00 0.00 58.31 52.10 1wvc n LYS 252 Cb 0.54 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 1wvc n LYS 252 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wvc n ALA 253 N 0.53 4.09 -0.19 7.82 0.00 -1.25 -4.14 120.51 127.37 1wvc n ALA 253 Ca 0.26 -4.72 0.06 0.00 0.00 0.00 0.00 53.44 49.04 1wvc n ALA 253 Cb 0.52 -1.20 0.12 0.00 0.00 0.00 0.00 19.45 18.90 1wvc n ALA 253 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wvc n PRO 254 N 1.24 -0.05 0.13 0.00 -0.02 -1.26 0.40 135.00 135.45 1wvc n PRO 254 Ca 0.27 0.83 0.19 0.00 -2.02 0.00 0.00 63.50 62.77 1wvc n PRO 254 Cb 0.38 -1.28 0.77 0.00 -0.02 0.00 0.00 33.50 33.35 1wvc n PRO 254 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1wvc h TRP 255 N 0.00 0.00 -0.52 6.00 0.09 -1.91 -3.37 115.95 116.23 1wvc h TRP 255 Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 58.89 59.11 1wvc h TRP 255 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.77 1wvc h TRP 255 CO -0.34 0.00 0.44 0.21 0.09 0.00 0.00 178.44 178.84 1wvc s LYS 256 N -4.64 2.10 -0.12 0.12 2.20 1.33 -4.66 119.74 116.08 1wvc s LYS 256 Ca -0.04 -0.06 0.18 0.00 -0.36 0.00 0.00 55.97 55.69 1wvc s LYS 256 Cb 0.15 -4.96 0.73 0.00 -1.51 0.00 0.00 37.83 32.24 1wvc s LYS 256 CO 0.55 -3.96 1.64 0.25 -0.36 0.00 0.00 175.35 173.47 1wvc n THR 257 N 8.30 1.86 -4.38 3.43 -2.24 -1.26 -4.98 114.28 115.01 1wvc n THR 257 Ca 0.43 -1.21 -0.22 0.00 -2.27 0.00 0.00 64.05 60.79 1wvc n THR 257 Cb 0.45 0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1wvc n THR 257 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1wvc n TRP 258 N 1.14 -0.32 1.92 4.78 2.14 -1.26 -4.98 117.44 120.86 1wvc n TRP 258 Ca 0.26 -2.63 0.15 0.00 2.07 0.00 0.00 57.50 57.36 1wvc n TRP 258 Cb 0.90 0.14 0.91 0.00 -0.81 0.00 0.00 31.31 32.46 1wvc n TRP 258 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85