#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv0 s ASN 2 N 0.00 5.76 -0.07 6.12 2.20 -1.26 -5.03 114.94 122.65 2wv0 s ASN 2 Ca 0.00 -1.54 -0.16 0.00 -0.94 0.00 0.00 52.86 50.22 2wv0 s ASN 2 Cb 0.00 -2.03 -0.05 0.00 -2.00 0.00 0.00 41.25 37.17 2wv0 s ASN 2 CO 0.00 -0.59 0.41 -0.63 -2.94 0.00 0.00 177.10 173.35 2wv0 s ILE 3 N 1.46 5.14 -0.36 0.54 1.09 -1.26 -5.05 121.20 122.76 2wv0 s ILE 3 Ca 0.04 0.83 -0.00 0.00 -1.10 0.00 0.00 60.65 60.41 2wv0 s ILE 3 Cb -0.24 -3.74 0.09 0.00 -1.06 0.00 0.00 42.46 37.52 2wv0 s ILE 3 CO 0.03 0.45 0.11 0.20 -0.10 0.00 0.00 174.94 175.63 2wv0 s ASN 4 N -0.16 5.02 0.40 3.58 0.01 -1.26 -4.99 114.94 117.53 2wv0 s ASN 4 Ca 0.23 -1.91 0.20 0.00 -0.71 0.00 0.00 52.86 50.67 2wv0 s ASN 4 Cb -0.15 -1.74 0.82 0.00 0.41 0.00 0.00 41.25 40.58 2wv0 s ASN 4 CO 0.10 -0.43 1.80 0.11 -1.51 0.00 0.00 177.10 177.17 2wv0 h LYS 5 N 7.90 0.00 -0.01 -0.60 1.57 -1.97 -2.90 116.57 120.56 2wv0 h LYS 5 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2wv0 h LYS 5 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wv0 h LYS 5 CO 0.61 0.32 -0.04 1.04 -0.57 0.00 0.00 179.45 180.80 2wv0 n GLN 6 N -3.57 1.13 -2.53 3.15 1.13 -1.26 -4.89 117.38 110.54 2wv0 n GLN 6 Ca -0.01 -0.42 -0.40 0.00 -1.94 0.00 0.00 57.00 54.23 2wv0 n GLN 6 Cb 0.45 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 2wv0 n GLN 6 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2wv0 s SER 7 N -2.16 7.33 0.63 1.08 0.15 -1.10 -4.94 113.70 114.70 2wv0 s SER 7 Ca 0.38 2.19 0.32 0.00 0.70 0.00 0.00 55.95 59.55 2wv0 s SER 7 Cb 0.21 -2.62 1.78 0.00 -1.71 0.00 0.00 66.02 63.68 2wv0 s SER 7 CO 0.39 -0.10 2.07 1.55 1.20 0.00 0.00 173.24 178.35 2wv0 h PRO 8 N 4.03 0.00 -6.29 5.44 0.13 -1.90 -3.42 132.00 129.99 2wv0 h PRO 8 Ca -0.46 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 2wv0 h PRO 8 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wv0 h PRO 8 CO 0.68 0.00 0.82 0.42 -0.23 0.00 0.00 178.00 179.69 2wv0 s ILE 9 N -4.35 4.04 0.31 -3.56 1.01 -1.26 -4.97 121.20 112.41 2wv0 s ILE 9 Ca -0.04 1.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.67 2wv0 s ILE 9 Cb 0.12 -3.87 -0.13 0.00 0.01 0.00 0.00 42.46 38.60 2wv0 s ILE 9 CO 0.42 -0.04 1.22 -2.65 0.00 0.00 0.00 174.94 173.90 2wv0 n PRO 10 N 5.74 1.86 -0.27 2.79 -0.02 -1.26 -4.78 135.00 139.05 2wv0 n PRO 10 Ca 0.13 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.34 2wv0 n PRO 10 Cb 0.45 -2.18 0.21 0.00 -0.02 0.00 0.00 33.50 31.95 2wv0 n PRO 10 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wv0 h ILE 11 N 2.46 0.33 -0.50 4.25 1.08 -1.90 -1.53 117.51 121.71 2wv0 h ILE 11 Ca -0.44 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2wv0 h ILE 11 Cb 1.30 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 2wv0 h ILE 11 CO 0.64 0.03 0.17 0.10 -0.69 0.00 0.00 178.15 178.40 2wv0 h TYR 12 N 0.15 0.73 -0.27 1.37 -0.00 -1.90 -1.04 116.97 116.01 2wv0 h TYR 12 Ca 0.47 -0.04 -0.13 0.00 0.00 0.00 0.00 58.73 59.03 2wv0 h TYR 12 Cb 0.87 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 37.38 2wv0 h TYR 12 CO -0.36 0.59 -0.32 -0.92 -0.00 0.00 0.00 178.16 177.16 2wv0 h TYR 13 N 0.72 0.84 -0.56 0.10 3.20 -1.66 -0.79 116.97 118.82 2wv0 h TYR 13 Ca 0.17 -0.27 0.08 0.00 3.14 0.00 0.00 58.73 61.85 2wv0 h TYR 13 Cb 0.19 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 2wv0 h TYR 13 CO 0.01 1.02 0.21 1.96 -1.64 0.00 0.00 178.16 179.72 2wv0 h GLN 14 N 0.43 0.38 -0.18 1.82 4.20 -0.81 -1.81 115.11 119.13 2wv0 h GLN 14 Ca 0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2wv0 h GLN 14 Cb 0.90 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2wv0 h GLN 14 CO 0.08 0.25 0.09 0.82 -0.67 0.00 0.00 178.83 179.40 2wv0 h ILE 15 N 0.39 1.12 -0.38 2.54 2.04 -0.93 -2.02 117.51 120.27 2wv0 h ILE 15 Ca 0.28 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2wv0 h ILE 15 Cb 0.32 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 2wv0 h ILE 15 CO -0.28 0.11 -0.01 0.24 0.00 0.00 0.00 178.15 178.21 2wv0 h MET 16 N 0.17 0.08 -0.11 2.37 2.86 -0.92 -1.13 114.93 118.26 2wv0 h MET 16 Ca 0.06 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 2wv0 h MET 16 Cb 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2wv0 h MET 16 CO -0.01 0.06 -0.63 0.93 1.06 0.00 0.00 176.91 178.32 2wv0 h GLU 17 N 0.09 0.39 -0.28 1.72 4.39 -1.21 -1.48 114.58 118.20 2wv0 h GLU 17 Ca 0.19 -0.28 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 2wv0 h GLU 17 Cb 0.27 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2wv0 h GLU 17 CO -0.33 0.89 -0.46 1.96 -1.16 0.00 0.00 179.01 179.92 2wv0 h GLN 18 N 0.29 0.72 -0.38 2.33 4.20 -1.17 -2.23 115.11 118.87 2wv0 h GLN 18 Ca -0.01 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.29 2wv0 h GLN 18 Cb 1.17 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 2wv0 h GLN 18 CO 0.11 1.03 0.22 -0.07 -0.67 0.00 0.00 178.83 179.44 2wv0 h LEU 19 N 0.58 0.46 -1.29 1.46 4.07 -1.11 -1.10 115.31 118.38 2wv0 h LEU 19 Ca 0.03 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 57.96 2wv0 h LEU 19 Cb 1.01 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.59 2wv0 h LEU 19 CO 0.10 0.40 0.50 0.11 -1.08 0.00 0.00 178.44 178.47 2wv0 h LYS 20 N 0.49 0.89 -0.55 1.13 1.57 -1.22 -0.54 116.57 118.34 2wv0 h LYS 20 Ca 0.13 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2wv0 h LYS 20 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2wv0 h LYS 20 CO -0.02 0.59 0.02 1.15 -0.57 0.00 0.00 179.45 180.62 2wv0 h THR 21 N 0.92 1.26 -0.50 -0.16 2.02 -1.08 -0.57 112.91 114.81 2wv0 h THR 21 Ca 0.31 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 2wv0 h THR 21 Cb 0.08 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2wv0 h THR 21 CO -0.09 0.39 -0.10 1.56 0.37 0.00 0.00 175.52 177.65 2wv0 h GLN 22 N 0.85 0.91 -0.08 6.66 4.20 -0.39 -0.24 115.11 127.01 2wv0 h GLN 22 Ca 0.16 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 2wv0 h GLN 22 Cb 0.51 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2wv0 h GLN 22 CO 0.02 0.97 0.04 0.82 -0.67 0.00 0.00 178.83 180.01 2wv0 h ILE 23 N 0.82 1.12 -0.64 2.54 2.04 -1.06 0.16 117.51 122.48 2wv0 h ILE 23 Ca 0.13 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2wv0 h ILE 23 Cb 0.63 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2wv0 h ILE 23 CO 0.04 0.10 0.30 0.50 0.00 0.00 0.00 178.15 179.09 2wv0 h LYS 24 N 0.00 0.51 0.00 2.37 3.64 -0.66 -2.36 116.57 120.07 2wv0 h LYS 24 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wv0 h LYS 24 Cb 0.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wv0 h LYS 24 CO -0.00 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.61 2wv0 n ASN 25 N -4.91 0.59 0.00 4.20 3.02 -0.14 -4.92 115.26 113.11 2wv0 n ASN 25 Ca 0.09 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 2wv0 n ASN 25 Cb 0.25 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2wv0 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wv0 n GLY 26 N 1.18 0.51 0.18 7.41 0.00 -0.71 -4.92 105.19 108.85 2wv0 n GLY 26 Ca 0.05 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.69 2wv0 n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wv0 h GLU 27 N 0.63 0.00 -4.27 1.61 5.08 -0.98 -3.36 114.58 113.29 2wv0 h GLU 27 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2wv0 h GLU 27 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 2wv0 h GLU 27 CO 0.00 0.00 -0.74 -0.51 -1.00 0.00 0.00 179.01 176.76 2wv0 s LEU 28 N -5.30 3.57 0.37 1.33 1.02 -0.93 -4.96 118.68 113.78 2wv0 s LEU 28 Ca 0.05 -1.82 -0.26 0.00 0.02 0.00 0.00 54.13 52.12 2wv0 s LEU 28 Cb 0.09 -1.31 -0.09 0.00 0.02 0.00 0.00 46.19 44.90 2wv0 s LEU 28 CO 0.53 -0.36 1.14 0.00 0.02 0.00 0.00 176.35 177.67 2wv0 s GLN 29 N 1.22 4.24 0.45 1.70 -2.07 -1.26 -4.53 119.66 119.41 2wv0 s GLN 29 Ca 0.07 1.79 -0.25 0.00 -1.82 0.00 0.00 55.36 55.15 2wv0 s GLN 29 Cb -0.18 -2.80 -0.08 0.00 -1.09 0.00 0.00 33.01 28.85 2wv0 s GLN 29 CO -0.13 -0.14 1.35 -2.14 -1.32 0.00 0.00 175.29 172.90 2wv0 s PRO 30 N -2.09 3.73 -1.65 9.60 0.02 -1.26 -2.73 135.00 140.61 2wv0 s PRO 30 Ca 0.53 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2wv0 s PRO 30 Cb -0.30 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2wv0 s PRO 30 CO 0.38 -0.72 0.00 -0.25 -0.33 0.00 0.00 177.00 176.08 2wv0 n ASP 31 N -0.21 -5.22 -4.34 2.53 8.00 0.94 -4.93 116.55 113.32 2wv0 n ASP 31 Ca 0.05 0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.38 2wv0 n ASP 31 Cb 0.43 -4.43 -0.15 0.00 -0.02 0.00 0.00 41.12 36.96 2wv0 n ASP 31 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2wv0 s MET 32 N -4.73 2.03 0.35 -1.24 -1.94 -1.11 -4.88 119.30 107.79 2wv0 s MET 32 Ca 0.00 -0.98 -0.27 0.00 -1.71 0.00 0.00 55.69 52.73 2wv0 s MET 32 Cb 0.00 -2.05 -0.09 0.00 2.01 0.00 0.00 34.83 34.70 2wv0 s MET 32 CO 0.00 0.55 1.23 -1.25 -0.01 0.00 0.00 175.02 175.54 2wv0 s PRO 33 N -0.86 4.26 0.44 2.03 0.04 -1.26 -3.38 135.00 136.27 2wv0 s PRO 33 Ca 0.11 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 2wv0 s PRO 33 Cb -0.10 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2wv0 s PRO 33 CO 0.00 -0.20 0.73 -0.51 0.04 0.00 0.00 177.00 177.07 2wv0 s LEU 34 N -2.03 3.73 0.69 -3.56 1.02 0.12 -4.98 118.68 113.67 2wv0 s LEU 34 Ca 0.52 0.84 -0.17 0.00 0.02 0.00 0.00 54.13 55.34 2wv0 s LEU 34 Cb -0.36 -3.77 -0.01 0.00 0.02 0.00 0.00 46.19 42.07 2wv0 s LEU 34 CO 0.46 -0.50 0.96 -2.65 0.02 0.00 0.00 176.35 174.64 2wv0 n PRO 35 N -2.06 0.62 -1.08 1.29 -0.02 -1.26 -4.66 135.00 127.82 2wv0 n PRO 35 Ca -0.00 0.26 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 2wv0 n PRO 35 Cb 0.55 -2.21 0.12 0.00 -0.02 0.00 0.00 33.50 31.94 2wv0 n PRO 35 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wv0 s SER 36 N -1.53 3.90 0.19 2.55 1.04 -1.26 -4.81 113.70 113.78 2wv0 s SER 36 Ca 0.74 2.01 -0.18 0.00 0.48 0.00 0.00 55.95 59.00 2wv0 s SER 36 Cb -0.36 -2.54 0.16 0.00 0.10 0.00 0.00 66.02 63.37 2wv0 s SER 36 CO 0.49 -2.45 1.60 -0.08 0.98 0.00 0.00 173.24 173.78 2wv0 h GLU 37 N -1.31 -0.12 -0.51 4.02 4.81 -1.95 -1.84 114.58 117.68 2wv0 h GLU 37 Ca -0.44 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2wv0 h GLU 37 Cb 1.25 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2wv0 h GLU 37 CO 0.48 -0.08 0.29 0.00 -0.73 0.00 0.00 179.01 178.97 2wv0 h ARG 38 N -0.12 0.70 0.22 1.92 3.08 -1.93 -1.84 114.38 116.41 2wv0 h ARG 38 Ca 0.25 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2wv0 h ARG 38 Cb 0.53 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wv0 h ARG 38 CO -0.66 0.51 -0.11 0.93 -1.07 0.00 0.00 179.97 179.57 2wv0 h GLU 39 N 0.71 -0.29 -0.77 0.04 5.08 -1.71 -2.10 114.58 115.54 2wv0 h GLU 39 Ca 0.18 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2wv0 h GLU 39 Cb 0.00 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2wv0 h GLU 39 CO -0.03 0.01 0.46 1.88 -1.00 0.00 0.00 179.01 180.33 2wv0 h TYR 40 N -0.60 0.85 -0.08 4.33 0.05 -1.34 -1.49 116.97 118.69 2wv0 h TYR 40 Ca -0.03 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.81 2wv0 h TYR 40 Cb 0.44 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2wv0 h TYR 40 CO 0.02 0.42 -0.13 0.00 -1.05 0.00 0.00 178.16 177.42 2wv0 h ALA 41 N 1.38 -0.08 -0.24 3.88 0.00 -1.22 -1.58 119.26 121.40 2wv0 h ALA 41 Ca 0.34 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 2wv0 h ALA 41 Cb 0.18 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wv0 h ALA 41 CO -0.18 -0.60 -0.43 1.05 0.00 0.00 0.00 179.25 179.10 2wv0 h GLU 42 N -0.18 0.58 0.27 0.00 -0.00 -1.21 0.41 114.58 114.46 2wv0 h GLU 42 Ca 0.07 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.36 59.11 2wv0 h GLU 42 Cb 0.28 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 2wv0 h GLU 42 CO -0.19 0.91 -0.13 -0.56 -0.00 0.00 0.00 179.01 179.04 2wv0 h GLN 43 N 0.47 -0.34 0.00 1.06 3.07 -1.05 -3.11 115.11 115.21 2wv0 h GLN 43 Ca 0.03 0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 2wv0 h GLN 43 Cb 0.95 0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.58 2wv0 h GLN 43 CO 0.08 -0.12 -0.07 0.74 0.09 0.00 0.00 178.83 179.55 2wv0 h PHE 44 N -0.52 0.00 -3.58 0.06 0.04 -1.30 -3.48 116.94 108.15 2wv0 h PHE 44 Ca -0.04 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 2wv0 h PHE 44 Cb 0.39 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.61 2wv0 h PHE 44 CO -0.01 0.07 -0.32 0.41 -0.60 0.00 0.00 178.31 177.86 2wv0 n GLY 45 N 0.80 0.11 3.31 -1.45 0.00 0.13 -5.06 105.19 103.02 2wv0 n GLY 45 Ca 0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 2wv0 n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 46 N -3.15 0.29 0.33 -0.61 -4.36 -0.05 -5.02 121.20 108.63 2wv0 s ILE 46 Ca 0.04 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 2wv0 s ILE 46 Cb -0.00 -2.53 -0.10 0.00 1.25 0.00 0.00 42.46 41.08 2wv0 s ILE 46 CO 0.30 0.00 1.35 -0.55 0.24 0.00 0.00 174.94 176.28 2wv0 s SER 47 N -3.34 6.69 0.56 4.36 0.15 -1.26 -4.59 113.70 116.27 2wv0 s SER 47 Ca 0.37 2.75 0.28 0.00 0.70 0.00 0.00 55.95 60.05 2wv0 s SER 47 Cb 0.05 -2.65 1.65 0.00 -1.71 0.00 0.00 66.02 63.36 2wv0 s SER 47 CO 0.17 -0.61 2.17 0.08 1.20 0.00 0.00 173.24 176.25 2wv0 h ARG 48 N 3.51 0.00 0.00 5.44 -0.00 -1.92 -2.23 114.38 119.18 2wv0 h ARG 48 Ca -0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.39 2wv0 h ARG 48 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.18 2wv0 h ARG 48 CO 0.67 0.05 -0.49 0.52 -0.00 0.00 0.00 179.97 180.72 2wv0 h MET 49 N 0.00 0.00 -0.12 0.08 2.86 -1.95 -0.30 114.93 115.49 2wv0 h MET 49 Ca -0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 2wv0 h MET 49 Cb 0.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.81 2wv0 h MET 49 CO 0.01 0.49 -0.58 1.15 1.06 0.00 0.00 176.91 179.04 2wv0 h THR 50 N 0.00 1.34 -0.66 2.22 2.02 -1.79 -1.67 112.91 114.37 2wv0 h THR 50 Ca -0.00 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.30 2wv0 h THR 50 Cb 0.95 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 69.44 2wv0 h THR 50 CO 0.06 0.57 0.35 0.58 0.37 0.00 0.00 175.52 177.46 2wv0 h VAL 51 N 0.25 1.21 0.35 3.16 2.07 -1.40 -2.82 116.25 119.07 2wv0 h VAL 51 Ca -0.04 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2wv0 h VAL 51 Cb 1.21 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2wv0 h VAL 51 CO 0.12 0.24 -0.17 -0.09 0.02 0.00 0.00 177.57 177.69 2wv0 h ARG 52 N 0.91 -0.45 -0.91 1.57 2.43 -1.03 -0.16 114.38 116.73 2wv0 h ARG 52 Ca 0.23 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.60 2wv0 h ARG 52 Cb 0.06 0.10 -0.16 0.00 -0.42 0.00 0.00 29.97 29.54 2wv0 h ARG 52 CO -0.04 -0.24 -0.29 0.37 -1.51 0.00 0.00 179.97 178.26 2wv0 h GLN 53 N -0.55 -0.02 0.20 0.20 4.15 -1.31 0.22 115.11 118.00 2wv0 h GLN 53 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2wv0 h GLN 53 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2wv0 h GLN 53 CO 0.08 -0.01 -0.10 0.00 -1.93 0.00 0.00 178.83 176.87 2wv0 h ALA 54 N 1.65 -0.27 -0.49 3.38 0.00 -1.16 -0.83 119.26 121.54 2wv0 h ALA 54 Ca 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2wv0 h ALA 54 Cb 0.64 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2wv0 h ALA 54 CO -0.94 -0.57 0.22 -0.07 0.00 0.00 0.00 179.25 177.89 2wv0 h LEU 55 N -0.42 0.66 -0.97 0.00 3.38 -0.50 -1.62 115.31 115.84 2wv0 h LEU 55 Ca -0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wv0 h LEU 55 Cb 0.32 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2wv0 h LEU 55 CO 0.04 0.62 0.30 -1.28 0.09 0.00 0.00 178.44 178.21 2wv0 h SER 56 N 0.65 0.96 -0.43 -0.43 0.87 -0.58 -1.43 113.55 113.15 2wv0 h SER 56 Ca 0.17 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2wv0 h SER 56 Cb 0.15 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2wv0 h SER 56 CO -0.02 0.84 0.18 0.78 -0.53 0.00 0.00 176.83 178.09 2wv0 h ASN 57 N 1.03 0.59 -0.49 6.23 -0.26 -0.90 -2.50 115.58 119.28 2wv0 h ASN 57 Ca 0.24 -0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 2wv0 h ASN 57 Cb 0.17 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 2wv0 h ASN 57 CO -0.02 0.58 0.19 -0.07 -1.06 0.00 0.00 177.43 177.04 2wv0 h LEU 58 N 0.55 0.72 -0.63 1.61 3.38 -0.88 0.18 115.31 120.24 2wv0 h LEU 58 Ca 0.15 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2wv0 h LEU 58 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2wv0 h LEU 58 CO -0.01 0.67 -0.36 -0.37 0.09 0.00 0.00 178.44 178.45 2wv0 h VAL 59 N 0.77 1.29 0.00 1.22 -1.51 -1.24 0.16 116.25 116.94 2wv0 h VAL 59 Ca 0.18 -1.52 -0.12 0.00 -1.23 0.00 0.00 66.70 64.02 2wv0 h VAL 59 Cb 0.20 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2wv0 h VAL 59 CO -0.01 0.49 -0.56 0.78 -1.23 0.00 0.00 177.57 177.03 2wv0 h ASN 60 N 0.56 0.00 0.60 4.19 2.35 -0.92 -0.39 115.58 121.96 2wv0 h ASN 60 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2wv0 h ASN 60 Cb 0.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.25 2wv0 h ASN 60 CO 0.08 0.56 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.04 2wv0 h GLU 61 N 0.00 0.00 0.00 0.81 5.08 -0.61 -3.47 114.58 116.39 2wv0 h GLU 61 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wv0 h GLU 61 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wv0 h GLU 61 CO 0.07 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 2wv0 n GLY 62 N -0.41 0.77 0.14 -3.84 0.00 -0.16 -4.96 105.19 96.74 2wv0 n GLY 62 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2wv0 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wv0 h LEU 63 N 0.00 0.00 -9.17 0.99 4.07 -0.89 -3.44 115.31 106.87 2wv0 h LEU 63 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.45 2wv0 h LEU 63 Cb 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.60 2wv0 h LEU 63 CO 0.00 0.20 -0.68 -0.76 -1.08 0.00 0.00 178.44 176.12 2wv0 s LEU 64 N -5.85 2.53 0.09 1.67 1.43 -0.82 -2.27 118.68 115.47 2wv0 s LEU 64 Ca 0.02 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 2wv0 s LEU 64 Cb 0.08 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.56 2wv0 s LEU 64 CO 0.76 -0.29 0.08 -0.72 0.23 0.00 0.00 176.35 176.40 2wv0 s TYR 65 N -2.93 0.49 0.09 0.29 -0.85 -0.05 -4.20 117.35 110.19 2wv0 s TYR 65 Ca 0.29 -0.95 0.07 0.00 -0.52 0.00 0.00 57.07 55.96 2wv0 s TYR 65 Cb 0.03 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 2wv0 s TYR 65 CO 0.12 -0.49 -0.09 1.03 -1.52 0.00 0.00 175.55 174.60 2wv0 s ARG 66 N -3.94 2.19 0.04 -3.49 0.52 -1.26 -0.89 118.95 112.12 2wv0 s ARG 66 Ca 0.12 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.38 2wv0 s ARG 66 Cb 0.07 -2.34 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 2wv0 s ARG 66 CO -0.06 0.52 -0.11 -0.51 0.02 0.00 0.00 175.30 175.16 2wv0 s LEU 67 N -2.12 2.19 0.12 2.53 1.43 -1.15 -5.01 118.68 116.67 2wv0 s LEU 67 Ca 0.21 -0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 52.53 2wv0 s LEU 67 Cb -0.11 -0.39 -0.12 0.00 0.03 0.00 0.00 46.19 45.59 2wv0 s LEU 67 CO 0.13 -0.05 1.72 2.29 0.23 0.00 0.00 176.35 180.66 2wv0 n LYS 68 N 1.85 2.40 -3.82 1.70 -0.00 -1.26 -3.18 118.16 115.86 2wv0 n LYS 68 Ca -0.19 0.87 -0.28 0.00 -0.00 0.00 0.00 58.31 58.71 2wv0 n LYS 68 Cb 0.55 -2.70 0.04 0.00 -0.00 0.00 0.00 35.03 32.93 2wv0 n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wv0 n GLY 69 N 3.87 -0.51 0.00 2.58 0.00 -1.26 -4.78 105.19 105.09 2wv0 n GLY 69 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2wv0 n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wv0 n ARG 70 N -4.77 0.00 0.00 1.61 1.85 -1.19 -5.18 116.66 108.98 2wv0 n ARG 70 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2wv0 n ARG 70 Cb 0.54 -0.34 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 2wv0 n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wv0 n GLY 71 N 0.39 0.30 3.87 2.89 0.00 -1.23 -4.96 105.19 106.45 2wv0 n GLY 71 Ca 0.00 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 2wv0 n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wv0 s THR 72 N 0.00 5.26 0.11 2.61 2.01 -1.26 -2.91 115.64 121.46 2wv0 s THR 72 Ca 0.00 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.41 2wv0 s THR 72 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2wv0 s THR 72 CO 0.00 0.46 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 2wv0 s PHE 73 N -1.20 1.25 -0.14 4.92 0.08 -0.07 0.12 117.98 122.94 2wv0 s PHE 73 Ca 0.24 -0.61 -0.22 0.00 0.12 0.00 0.00 56.93 56.47 2wv0 s PHE 73 Cb -0.14 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2wv0 s PHE 73 CO 0.13 0.08 0.66 0.54 -0.10 0.00 0.00 175.22 176.53 2wv0 s VAL 74 N -2.34 5.03 0.38 -0.44 0.11 -1.22 -0.87 120.40 121.05 2wv0 s VAL 74 Ca 0.08 1.30 -0.26 0.00 -2.93 0.00 0.00 61.98 60.17 2wv0 s VAL 74 Cb -0.04 -3.99 -0.09 0.00 -1.53 0.00 0.00 36.38 30.74 2wv0 s VAL 74 CO 0.02 0.17 1.20 -0.44 -3.33 0.00 0.00 175.10 172.72 2wv0 s SER 75 N 1.00 6.58 -0.40 3.54 0.01 -0.96 -0.04 113.70 123.42 2wv0 s SER 75 Ca 0.32 2.43 -0.17 0.00 1.31 0.00 0.00 55.95 59.85 2wv0 s SER 75 Cb -0.16 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.46 2wv0 s SER 75 CO 0.13 -0.64 0.41 -1.59 0.41 0.00 0.00 173.24 171.95 2wv0 s LYS 76 N -2.16 3.18 0.56 12.44 -2.85 -1.26 -4.80 119.74 124.86 2wv0 s LYS 76 Ca 0.55 -0.72 -0.19 0.00 -1.00 0.00 0.00 55.97 54.61 2wv0 s LYS 76 Cb -0.33 -3.93 -0.05 0.00 -2.06 0.00 0.00 37.83 31.46 2wv0 s LYS 76 CO 0.42 -0.77 1.17 -2.14 0.10 0.00 0.00 175.35 174.13 2wv0 s PRO 77 N 2.06 3.18 -0.02 1.78 0.02 -1.26 -4.96 135.00 135.80 2wv0 s PRO 77 Ca 0.11 1.72 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 2wv0 s PRO 77 Cb -0.17 -1.98 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 2wv0 s PRO 77 CO 0.13 -1.01 1.58 -1.59 -0.33 0.00 0.00 177.00 175.78 2wv0 s LYS 78 N -3.29 4.21 -0.01 5.54 0.00 -1.26 -4.91 119.74 120.02 2wv0 s LYS 78 Ca 0.75 2.15 0.10 0.00 0.00 0.00 0.00 55.97 58.96 2wv0 s LYS 78 Cb -0.27 -3.80 -0.13 0.00 0.00 0.00 0.00 37.83 33.63 2wv0 s LYS 78 CO 0.30 -0.76 0.29 -1.33 0.00 0.00 0.00 175.35 173.85 2wv0 n MET 79 N 6.41 1.86 0.11 1.78 2.81 -1.26 -4.75 117.12 124.08 2wv0 n MET 79 Ca 0.16 -0.05 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 2wv0 n MET 79 Cb 0.43 -1.10 -0.07 0.00 -0.71 0.00 0.00 33.22 31.76 2wv0 n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wv0 h GLU 80 N 0.00 -0.60 -0.58 0.03 3.07 -1.98 -0.79 114.58 113.73 2wv0 h GLU 80 Ca 0.00 0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.98 2wv0 h GLU 80 Cb 0.35 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 2wv0 h GLU 80 CO 0.00 -0.40 0.24 0.37 -1.40 0.00 0.00 179.01 177.81 2wv0 h GLN 81 N -0.63 0.42 -0.73 2.33 5.75 -1.92 0.27 115.11 120.61 2wv0 h GLN 81 Ca 0.03 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2wv0 h GLN 81 Cb 0.66 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2wv0 h GLN 81 CO -0.24 0.28 0.34 0.00 -2.65 0.00 0.00 178.83 176.56 2wv0 h ALA 82 N 1.37 0.94 0.00 3.38 0.00 -1.68 0.14 119.26 123.42 2wv0 h ALA 82 Ca 0.28 -0.15 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 2wv0 h ALA 82 Cb 0.30 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2wv0 h ALA 82 CO -0.26 0.51 -2.05 1.28 0.00 0.00 0.00 179.25 178.73 2wv0 n LEU 83 N -4.40 0.42 -0.00 0.00 4.32 -0.37 -4.58 117.00 112.39 2wv0 n LEU 83 Ca 0.06 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 2wv0 n LEU 83 Cb 0.14 0.33 -0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2wv0 n LEU 83 CO 0.39 0.43 0.06 0.00 -1.22 0.00 0.00 177.39 177.05 2wv0 n GLN 84 N -2.88 5.11 0.00 3.23 3.00 0.95 -0.38 117.38 126.40 2wv0 n GLN 84 Ca -0.25 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 2wv0 n GLN 84 Cb 1.10 -0.62 0.00 0.00 0.00 0.00 0.00 30.24 30.72 2wv0 n GLN 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wv0 n GLY 85 N 0.77 5.26 2.87 1.08 0.00 0.49 -4.95 105.19 110.71 2wv0 n GLY 85 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 2wv0 n GLY 85 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wv0 s LEU 86 N 0.00 1.08 0.12 0.99 2.96 -1.15 -4.80 118.68 117.88 2wv0 s LEU 86 Ca 0.00 -0.17 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 2wv0 s LEU 86 Cb 0.00 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 2wv0 s LEU 86 CO 0.00 -0.11 -0.27 0.42 -1.32 0.00 0.00 176.35 175.07 2wv0 s THR 87 N 1.41 2.24 1.00 3.68 -4.23 -1.26 -4.93 115.64 113.55 2wv0 s THR 87 Ca -0.03 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 2wv0 s THR 87 Cb -0.13 -1.97 0.19 0.00 1.34 0.00 0.00 72.50 71.92 2wv0 s THR 87 CO -0.03 0.13 1.08 -0.94 -0.54 0.00 0.00 174.62 174.32 2wv0 s SER 88 N -1.94 2.54 0.19 3.99 1.04 -1.26 -4.84 113.70 113.41 2wv0 s SER 88 Ca 0.14 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.76 2wv0 s SER 88 Cb -0.10 -1.99 0.18 0.00 0.10 0.00 0.00 66.02 64.21 2wv0 s SER 88 CO 0.05 -3.20 1.81 0.15 0.98 0.00 0.00 173.24 173.03 2wv0 h PHE 89 N -1.94 0.61 -0.17 5.02 3.04 -2.00 -0.13 116.94 121.37 2wv0 h PHE 89 Ca -0.54 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.48 2wv0 h PHE 89 Cb 1.32 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.59 2wv0 h PHE 89 CO 0.32 0.31 -0.19 1.15 -2.02 0.00 0.00 178.31 177.87 2wv0 h THR 90 N 0.63 0.50 -0.25 4.41 2.02 -1.98 0.50 112.91 118.76 2wv0 h THR 90 Ca 0.26 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 2wv0 h THR 90 Cb 0.13 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2wv0 h THR 90 CO -0.15 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.22 2wv0 h GLU 91 N -0.22 0.44 -0.37 6.66 5.08 -1.89 -2.26 114.58 122.02 2wv0 h GLU 91 Ca 0.11 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2wv0 h GLU 91 Cb 0.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2wv0 h GLU 91 CO -0.30 0.61 -0.17 0.22 -1.00 0.00 0.00 179.01 178.37 2wv0 h ASP 92 N 0.40 0.79 -0.06 1.42 3.58 -0.44 -1.54 116.42 120.56 2wv0 h ASP 92 Ca 0.07 -0.40 -0.03 0.00 0.42 0.00 0.00 57.03 57.09 2wv0 h ASP 92 Cb 0.56 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2wv0 h ASP 92 CO 0.04 1.02 -0.06 0.24 -2.88 0.00 0.00 179.24 177.59 2wv0 h MET 93 N 0.56 0.16 -0.95 0.28 2.86 -0.83 -2.97 114.93 114.03 2wv0 h MET 93 Ca 0.08 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 2wv0 h MET 93 Cb 0.71 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.29 2wv0 h MET 93 CO 0.05 0.60 0.61 0.87 1.06 0.00 0.00 176.91 180.10 2wv0 h LYS 94 N -0.28 0.62 0.00 1.72 1.57 -1.29 0.69 116.57 119.60 2wv0 h LYS 94 Ca 0.01 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2wv0 h LYS 94 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2wv0 h LYS 94 CO 0.02 0.41 -0.33 0.66 -0.57 0.00 0.00 179.45 179.63 2wv0 h SER 95 N 0.63 0.00 -0.01 0.86 4.64 -1.23 -2.33 113.55 116.12 2wv0 h SER 95 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2wv0 h SER 95 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2wv0 h SER 95 CO -0.27 0.33 -0.00 0.54 -0.87 0.00 0.00 176.83 176.56 2wv0 n ARG 96 N -3.85 1.47 -1.17 4.77 1.74 0.06 -4.79 116.66 114.89 2wv0 n ARG 96 Ca -0.01 -0.70 -0.02 0.00 -0.77 0.00 0.00 57.85 56.35 2wv0 n ARG 96 Cb 0.41 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2wv0 n ARG 96 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wv0 n GLY 97 N 1.13 0.53 3.76 -0.13 0.00 -0.88 -5.01 105.19 104.59 2wv0 n GLY 97 Ca 0.20 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 2wv0 n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wv0 s MET 98 N -2.40 2.80 -0.38 1.61 1.00 -0.20 -4.98 119.30 116.74 2wv0 s MET 98 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 55.69 54.69 2wv0 s MET 98 Cb 0.00 -2.62 0.01 0.00 0.00 0.00 0.00 34.83 32.22 2wv0 s MET 98 CO 0.00 0.51 0.28 0.99 0.00 0.00 0.00 175.02 176.79 2wv0 s THR 99 N -1.62 5.26 0.56 2.05 2.01 -1.26 -2.95 115.64 119.69 2wv0 s THR 99 Ca 0.30 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 2wv0 s THR 99 Cb -0.11 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2wv0 s THR 99 CO 0.22 -0.20 1.01 -2.16 -0.69 0.00 0.00 174.62 172.79 2wv0 s PRO 100 N 1.69 3.76 0.16 4.92 0.04 -1.26 0.11 135.00 144.42 2wv0 s PRO 100 Ca 0.05 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 61.77 2wv0 s PRO 100 Cb -0.18 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.32 2wv0 s PRO 100 CO 0.10 -0.43 0.98 0.20 0.04 0.00 0.00 177.00 177.89 2wv0 s GLY 101 N -3.35 -0.18 0.06 0.56 0.00 -0.17 -4.92 107.32 99.32 2wv0 s GLY 101 Ca 0.58 0.06 0.01 0.00 0.00 0.00 0.00 44.72 45.37 2wv0 s GLY 101 CO 0.38 0.29 -0.05 -0.56 0.00 0.00 0.00 173.10 173.16 2wv0 s SER 102 N -3.01 0.76 -0.07 1.64 0.01 -1.26 0.59 113.70 112.37 2wv0 s SER 102 Ca 0.14 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 2wv0 s SER 102 Cb -0.01 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.36 2wv0 s SER 102 CO 0.03 -0.44 -0.00 -0.60 0.41 0.00 0.00 173.24 172.63 2wv0 s ARG 103 N -3.16 0.66 0.03 12.44 3.52 0.08 -4.89 118.95 127.63 2wv0 s ARG 103 Ca 0.03 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.40 2wv0 s ARG 103 Cb 0.01 -0.98 -0.06 0.00 -1.56 0.00 0.00 34.95 32.36 2wv0 s ARG 103 CO -0.05 -0.28 1.36 -1.17 -0.81 0.00 0.00 175.30 174.34 2wv0 s LEU 104 N 1.88 4.33 -0.23 -0.88 2.96 -1.26 -0.82 118.68 124.66 2wv0 s LEU 104 Ca 0.04 2.13 -0.04 0.00 -0.22 0.00 0.00 54.13 56.04 2wv0 s LEU 104 Cb -0.12 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 2wv0 s LEU 104 CO -0.05 -0.66 -0.09 -0.38 -1.32 0.00 0.00 176.35 173.86 2wv0 n ILE 105 N 4.39 1.57 -3.63 6.68 5.41 0.39 -4.92 119.36 129.24 2wv0 n ILE 105 Ca 0.12 -0.54 -0.13 0.00 1.00 0.00 0.00 62.75 63.20 2wv0 n ILE 105 Cb 0.44 -1.59 -0.07 0.00 -0.71 0.00 0.00 39.64 37.71 2wv0 n ILE 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2wv0 s ASP 106 N -6.80 -0.77 -0.06 4.38 2.15 -0.69 -5.02 116.67 109.86 2wv0 s ASP 106 Ca -0.32 1.44 0.03 0.00 0.43 0.00 0.00 52.55 54.13 2wv0 s ASP 106 Cb 0.09 1.44 0.01 0.00 -0.30 0.00 0.00 42.92 44.16 2wv0 s ASP 106 CO 0.62 -0.25 -0.16 -0.47 -0.17 0.00 0.00 175.17 174.75 2wv0 s TYR 107 N 0.55 1.72 -0.04 -5.34 6.14 -1.26 -0.53 117.35 118.58 2wv0 s TYR 107 Ca -0.01 -0.61 0.00 0.00 0.64 0.00 0.00 57.07 57.09 2wv0 s TYR 107 Cb -0.05 -1.20 0.02 0.00 0.42 0.00 0.00 41.96 41.15 2wv0 s TYR 107 CO -0.02 -0.27 -0.02 -0.65 0.64 0.00 0.00 175.55 175.24 2wv0 s GLN 108 N 0.41 0.56 -0.57 4.97 -0.21 -0.09 -5.01 119.66 119.73 2wv0 s GLN 108 Ca -0.12 0.01 -0.23 0.00 0.02 0.00 0.00 55.36 55.05 2wv0 s GLN 108 Cb -0.15 -0.71 0.05 0.00 1.00 0.00 0.00 33.01 33.21 2wv0 s GLN 108 CO 0.04 -0.14 0.88 -1.17 -2.12 0.00 0.00 175.29 172.78 2wv0 s LEU 109 N 1.15 4.38 0.22 2.90 2.96 -1.26 0.52 118.68 129.55 2wv0 s LEU 109 Ca -0.08 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2wv0 s LEU 109 Cb -0.14 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2wv0 s LEU 109 CO -0.02 -1.22 0.28 0.27 -1.32 0.00 0.00 176.35 174.34 2wv0 s ILE 110 N 3.70 4.97 0.46 6.68 -4.36 0.62 -4.88 121.20 128.39 2wv0 s ILE 110 Ca 0.25 -1.05 -0.20 0.00 -0.26 0.00 0.00 60.65 59.39 2wv0 s ILE 110 Cb -0.15 -3.65 -0.10 0.00 1.25 0.00 0.00 42.46 39.80 2wv0 s ILE 110 CO 0.15 -0.26 0.97 -1.81 0.24 0.00 0.00 174.94 174.22 2wv0 s ASP 111 N -3.70 6.80 0.32 4.36 -0.00 -1.26 -0.30 116.67 122.88 2wv0 s ASP 111 Ca 0.33 1.68 -0.27 0.00 -0.00 0.00 0.00 52.55 54.29 2wv0 s ASP 111 Cb -0.09 -2.53 -0.09 0.00 -0.00 0.00 0.00 42.92 40.20 2wv0 s ASP 111 CO 0.27 -0.46 1.05 -0.94 -0.00 0.00 0.00 175.17 175.09 2wv0 s SER 112 N -2.41 7.14 0.42 0.27 1.04 -0.73 -4.82 113.70 114.62 2wv0 s SER 112 Ca 0.62 2.12 0.08 0.00 0.48 0.00 0.00 55.95 59.25 2wv0 s SER 112 Cb -0.10 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2wv0 s SER 112 CO 0.19 -0.22 0.40 0.42 0.98 0.00 0.00 173.24 175.01 2wv0 s THR 113 N -1.37 2.65 0.28 2.02 -4.23 -1.26 -4.83 115.64 108.90 2wv0 s THR 113 Ca 0.49 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2wv0 s THR 113 Cb -0.27 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 70.86 2wv0 s THR 113 CO 0.34 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.29 2wv0 h GLU 114 N 0.97 1.19 -0.00 3.99 4.57 -1.99 -2.37 114.58 120.94 2wv0 h GLU 114 Ca -0.41 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wv0 h GLU 114 Cb 1.27 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 2wv0 h GLU 114 CO 0.56 0.80 -0.02 0.93 -1.18 0.00 0.00 179.01 180.10 2wv0 h GLU 115 N 1.23 0.02 -0.58 1.92 4.39 -2.00 -2.90 114.58 116.65 2wv0 h GLU 115 Ca 0.33 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2wv0 h GLU 115 Cb -0.13 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2wv0 h GLU 115 CO -0.07 0.69 0.33 -0.07 -1.16 0.00 0.00 179.01 178.72 2wv0 h LEU 116 N -0.65 0.72 -1.33 1.33 -0.00 -1.98 -2.01 115.31 111.40 2wv0 h LEU 116 Ca -0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2wv0 h LEU 116 Cb 0.69 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 2wv0 h LEU 116 CO 0.00 0.60 0.26 0.00 -0.00 0.00 0.00 178.44 179.30 2wv0 h ALA 117 N 1.15 1.48 -0.32 1.53 0.00 -1.51 0.43 119.26 122.03 2wv0 h ALA 117 Ca 0.21 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2wv0 h ALA 117 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wv0 h ALA 117 CO -0.03 0.42 -0.44 0.00 0.00 0.00 0.00 179.25 179.20 2wv0 h ALA 118 N 1.56 0.61 0.23 0.00 0.00 -1.28 0.09 119.26 120.46 2wv0 h ALA 118 Ca 0.18 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2wv0 h ALA 118 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2wv0 h ALA 118 CO -0.03 0.68 -0.11 0.82 0.00 0.00 0.00 179.25 180.61 2wv0 h ILE 119 N 0.67 0.84 0.00 0.00 2.04 -0.59 -3.30 117.51 117.16 2wv0 h ILE 119 Ca 0.04 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2wv0 h ILE 119 Cb 1.02 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2wv0 h ILE 119 CO 0.10 0.15 -0.11 -0.07 0.00 0.00 0.00 178.15 178.22 2wv0 h LEU 120 N -0.69 0.00 0.80 1.44 3.38 -0.24 -3.47 115.31 116.53 2wv0 h LEU 120 Ca -0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.68 2wv0 h LEU 120 Cb 0.48 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 2wv0 h LEU 120 CO 0.05 0.11 -0.25 0.61 0.09 0.00 0.00 178.44 179.05 2wv0 n GLY 121 N 0.65 1.10 2.70 0.83 0.00 0.01 -4.23 105.19 106.24 2wv0 n GLY 121 Ca 0.02 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2wv0 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 s GLY 123 N -3.97 1.71 -0.09 0.00 0.00 -1.26 -4.82 107.32 98.87 2wv0 s GLY 123 Ca 0.43 0.18 -0.03 0.00 0.00 0.00 0.00 44.72 45.30 2wv0 s GLY 123 CO 0.28 0.50 0.15 -1.58 0.00 0.00 0.00 173.10 172.45 2wv0 s HIS 124 N -2.95 -0.15 0.63 1.90 5.04 -1.26 -4.14 115.29 114.37 2wv0 s HIS 124 Ca 0.60 0.51 -0.11 0.00 -1.54 0.00 0.00 55.06 54.52 2wv0 s HIS 124 Cb -0.15 -0.31 -0.03 0.00 0.04 0.00 0.00 32.58 32.13 2wv0 s HIS 124 CO 0.54 -0.30 1.04 -2.14 -2.34 0.00 0.00 174.74 171.54 2wv0 s PRO 125 N 2.28 3.45 0.14 2.88 0.02 -1.26 -5.17 135.00 137.34 2wv0 s PRO 125 Ca 0.04 0.82 -0.24 0.00 0.02 0.00 0.00 61.00 61.63 2wv0 s PRO 125 Cb -0.12 -2.06 0.08 0.00 0.02 0.00 0.00 34.50 32.42 2wv0 s PRO 125 CO -0.06 -0.69 1.09 -1.54 -0.33 0.00 0.00 177.00 175.47 2wv0 s SER 126 N -4.02 -0.01 -0.16 2.53 1.04 -1.26 -5.00 113.70 106.82 2wv0 s SER 126 Ca 0.56 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.42 2wv0 s SER 126 Cb -0.12 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 2wv0 s SER 126 CO 0.53 -0.82 -0.05 -0.44 0.98 0.00 0.00 173.24 173.43 2wv0 s SER 127 N -3.41 4.58 -0.11 7.02 0.01 -1.26 -1.78 113.70 118.75 2wv0 s SER 127 Ca 0.22 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.30 2wv0 s SER 127 Cb -0.02 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 2wv0 s SER 127 CO 0.03 0.13 -0.20 -0.63 0.41 0.00 0.00 173.24 172.99 2wv0 s ILE 128 N 0.57 2.42 0.12 1.44 1.01 0.58 -0.10 121.20 127.23 2wv0 s ILE 128 Ca -0.04 -0.89 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 2wv0 s ILE 128 Cb -0.15 -1.96 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 2wv0 s ILE 128 CO 0.03 0.55 1.53 -1.00 0.00 0.00 0.00 174.94 176.05 2wv0 s HIS 129 N 0.29 2.94 -0.33 3.97 3.76 0.30 -0.27 115.29 125.94 2wv0 s HIS 129 Ca -0.15 0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 2wv0 s HIS 129 Cb -0.17 -3.86 0.07 0.00 1.11 0.00 0.00 32.58 29.74 2wv0 s HIS 129 CO 0.07 -3.20 0.06 0.21 -0.85 0.00 0.00 174.74 171.03 2wv0 s LYS 130 N 1.58 2.17 -0.22 1.40 2.20 0.19 -0.82 119.74 126.23 2wv0 s LYS 130 Ca 0.69 -1.51 -0.05 0.00 -0.36 0.00 0.00 55.97 54.74 2wv0 s LYS 130 Cb -0.40 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2wv0 s LYS 130 CO 0.31 -0.79 -0.01 0.42 -0.36 0.00 0.00 175.35 174.92 2wv0 s ILE 131 N 1.16 3.69 -0.25 5.43 1.01 0.64 -0.91 121.20 131.98 2wv0 s ILE 131 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2wv0 s ILE 131 Cb -0.21 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.61 2wv0 s ILE 131 CO -0.03 0.41 -0.09 -0.89 0.00 0.00 0.00 174.94 174.33 2wv0 s THR 132 N 1.41 2.52 0.07 2.92 2.01 0.31 -0.10 115.64 124.78 2wv0 s THR 132 Ca 0.05 -1.27 0.07 0.00 0.31 0.00 0.00 61.69 60.85 2wv0 s THR 132 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2wv0 s THR 132 CO -0.01 0.13 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.73 2wv0 s ARG 133 N 1.23 1.19 -0.24 4.92 0.52 -0.44 -0.46 118.95 125.68 2wv0 s ARG 133 Ca -0.03 -1.00 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 2wv0 s ARG 133 Cb -0.18 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 33.95 2wv0 s ARG 133 CO -0.06 0.33 0.93 0.08 0.02 0.00 0.00 175.30 176.60 2wv0 s VAL 134 N -0.97 4.76 -0.08 3.52 1.01 -0.00 -0.93 120.40 127.70 2wv0 s VAL 134 Ca 0.06 1.77 -0.21 0.00 0.00 0.00 0.00 61.98 63.59 2wv0 s VAL 134 Cb -0.09 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2wv0 s VAL 134 CO 0.03 -0.14 0.60 -0.13 0.00 0.00 0.00 175.10 175.46 2wv0 s ARG 135 N 3.03 4.39 0.02 2.72 1.81 -0.08 -0.74 118.95 130.09 2wv0 s ARG 135 Ca 0.39 0.69 0.04 0.00 -1.72 0.00 0.00 55.73 55.14 2wv0 s ARG 135 Cb -0.15 -3.44 -0.03 0.00 -0.45 0.00 0.00 34.95 30.88 2wv0 s ARG 135 CO 0.07 0.12 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.21 2wv0 s LEU 136 N 0.67 3.05 -0.09 2.53 1.02 0.20 -0.70 118.68 125.35 2wv0 s LEU 136 Ca 0.32 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.26 2wv0 s LEU 136 Cb -0.17 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.30 2wv0 s LEU 136 CO 0.15 0.27 -0.09 0.00 0.02 0.00 0.00 176.35 176.70 2wv0 s ALA 137 N -0.99 1.20 -1.55 4.21 0.00 -0.33 -1.00 121.76 123.29 2wv0 s ALA 137 Ca 0.17 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2wv0 s ALA 137 Cb -0.11 -0.72 0.09 0.00 0.00 0.00 0.00 23.12 22.38 2wv0 s ALA 137 CO 0.07 -0.17 0.75 0.09 0.00 0.00 0.00 175.76 176.50 2wv0 n ASN 138 N 4.43 -2.88 -0.11 0.00 3.02 0.12 -2.18 115.26 117.65 2wv0 n ASN 138 Ca -0.18 -0.93 -0.01 0.00 -0.03 0.00 0.00 54.58 53.43 2wv0 n ASN 138 Cb 0.51 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.41 2wv0 n ASN 138 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wv0 n ASP 139 N -2.82 -4.20 -4.16 6.41 8.00 -1.26 -4.99 116.55 113.53 2wv0 n ASP 139 Ca -0.05 0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 2wv0 n ASP 139 Cb 0.56 -1.83 -0.17 0.00 -0.02 0.00 0.00 41.12 39.67 2wv0 n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wv0 s ILE 140 N -1.71 1.76 0.21 0.53 1.01 -0.93 -5.08 121.20 116.99 2wv0 s ILE 140 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 60.65 59.49 2wv0 s ILE 140 Cb 0.00 -1.53 -0.15 0.00 0.01 0.00 0.00 42.46 40.79 2wv0 s ILE 140 CO 0.00 0.49 1.27 -2.65 0.00 0.00 0.00 174.94 174.05 2wv0 n PRO 141 N 3.58 1.58 -0.00 2.79 -0.02 -1.26 -1.18 135.00 140.48 2wv0 n PRO 141 Ca -0.20 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 2wv0 n PRO 141 Cb 0.53 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wv0 n PRO 141 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2wv0 n MET 142 N 1.83 0.45 -3.77 -0.52 1.56 0.12 -4.80 117.12 111.98 2wv0 n MET 142 Ca 0.13 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.47 2wv0 n MET 142 Cb 0.28 -1.02 -0.07 0.00 2.15 0.00 0.00 33.22 34.57 2wv0 n MET 142 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wv0 s ALA 143 N -2.02 -0.55 -0.12 -5.12 0.00 -0.97 -1.69 121.76 111.29 2wv0 s ALA 143 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 2wv0 s ALA 143 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 2wv0 s ALA 143 CO 0.02 -0.52 -0.11 0.42 0.00 0.00 0.00 175.76 175.58 2wv0 s ILE 144 N -3.46 3.29 -0.03 0.00 1.01 -0.52 -0.90 121.20 120.59 2wv0 s ILE 144 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2wv0 s ILE 144 Cb 0.02 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2wv0 s ILE 144 CO -0.09 0.53 -0.12 -0.70 0.00 0.00 0.00 174.94 174.56 2wv0 s GLU 145 N 0.16 1.27 -0.15 2.79 2.12 -0.10 -1.00 118.70 123.79 2wv0 s GLU 145 Ca -0.06 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.87 2wv0 s GLU 145 Cb -0.15 -1.14 0.02 0.00 0.26 0.00 0.00 34.13 33.12 2wv0 s GLU 145 CO 0.04 0.15 -0.15 0.45 -0.54 0.00 0.00 175.26 175.22 2wv0 s SER 146 N 0.18 2.68 -0.07 -1.70 0.15 0.13 -1.32 113.70 113.74 2wv0 s SER 146 Ca -0.04 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.16 2wv0 s SER 146 Cb -0.10 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2wv0 s SER 146 CO 0.01 -0.05 -0.20 -0.44 1.20 0.00 0.00 173.24 173.76 2wv0 s SER 147 N 1.42 2.61 -0.23 5.45 0.01 0.86 -0.67 113.70 123.16 2wv0 s SER 147 Ca 0.04 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 2wv0 s SER 147 Cb -0.13 -1.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 2wv0 s SER 147 CO -0.10 0.14 0.04 -1.00 0.41 0.00 0.00 173.24 172.74 2wv0 s HIS 148 N 0.28 3.08 -0.07 2.43 3.76 -0.03 -0.26 115.29 124.47 2wv0 s HIS 148 Ca -0.13 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2wv0 s HIS 148 Cb -0.16 -2.18 0.02 0.00 1.11 0.00 0.00 32.58 31.38 2wv0 s HIS 148 CO 0.06 -0.30 -0.06 0.42 -0.85 0.00 0.00 174.74 174.01 2wv0 s ILE 149 N 1.35 0.74 0.18 0.60 1.01 -0.00 -2.11 121.20 122.97 2wv0 s ILE 149 Ca 0.05 -0.17 -0.33 0.00 0.00 0.00 0.00 60.65 60.19 2wv0 s ILE 149 Cb -0.15 -0.77 -0.13 0.00 0.01 0.00 0.00 42.46 41.42 2wv0 s ILE 149 CO 0.03 0.30 1.62 -2.65 0.00 0.00 0.00 174.94 174.23 2wv0 n PRO 150 N 4.50 2.36 -0.01 2.79 -0.02 -1.26 0.11 135.00 143.47 2wv0 n PRO 150 Ca -0.17 0.85 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2wv0 n PRO 150 Cb 0.51 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 2wv0 n PRO 150 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wv0 h PHE 151 N 6.12 -0.65 0.00 6.00 3.57 -0.85 -1.25 116.94 129.88 2wv0 h PHE 151 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2wv0 h PHE 151 Cb 1.24 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.29 2wv0 h PHE 151 CO 0.63 -0.32 0.03 0.39 -2.23 0.00 0.00 178.31 176.80 2wv0 n GLU 152 N -5.37 0.02 -0.11 1.11 -0.58 -1.26 0.53 120.64 114.98 2wv0 n GLU 152 Ca -0.02 0.49 0.08 0.00 -0.42 0.00 0.00 57.16 57.30 2wv0 n GLU 152 Cb 0.29 -1.59 0.14 0.00 -0.57 0.00 0.00 31.44 29.70 2wv0 n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wv0 n LEU 153 N -1.58 2.83 0.00 -4.62 7.94 -0.48 -4.59 117.00 116.50 2wv0 n LEU 153 Ca -0.00 -1.41 0.00 0.00 -1.11 0.00 0.00 56.01 53.48 2wv0 n LEU 153 Cb 0.03 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2wv0 n LEU 153 CO 0.01 0.60 0.00 0.00 -1.11 0.00 0.00 177.39 176.90 2wv0 n ALA 154 N 0.99 1.75 0.00 1.96 0.00 -0.66 -4.80 120.51 119.76 2wv0 n ALA 154 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wv0 n ALA 154 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2wv0 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wv0 n GLY 155 N 1.17 -0.28 3.69 0.00 0.00 0.19 -4.85 105.19 105.12 2wv0 n GLY 155 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2wv0 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wv0 s GLU 156 N 0.00 4.35 0.06 1.61 0.41 -1.26 -4.91 118.70 118.96 2wv0 s GLU 156 Ca 0.00 1.71 0.10 0.00 -0.41 0.00 0.00 54.97 56.36 2wv0 s GLU 156 Cb 0.00 -3.55 -0.03 0.00 -1.78 0.00 0.00 34.13 28.77 2wv0 s GLU 156 CO 0.00 -0.45 -0.26 -0.51 -0.49 0.00 0.00 175.26 173.54 2wv0 s LEU 157 N 2.18 2.19 0.00 1.80 1.02 -1.26 -5.08 118.68 119.53 2wv0 s LEU 157 Ca 0.57 -0.62 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 2wv0 s LEU 157 Cb -0.26 -1.27 0.00 0.00 0.02 0.00 0.00 46.19 44.68 2wv0 s LEU 157 CO 0.23 0.24 0.22 -0.46 0.02 0.00 0.00 176.35 176.60 2wv0 n ASN 158 N 1.63 -0.61 -0.35 2.29 6.94 -1.26 -5.03 115.26 118.87 2wv0 n ASN 158 Ca -0.17 -1.95 0.12 0.00 -0.02 0.00 0.00 54.58 52.56 2wv0 n ASN 158 Cb 0.52 1.17 0.31 0.00 -2.36 0.00 0.00 39.78 39.42 2wv0 n ASN 158 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2wv0 h GLU 159 N 0.00 0.77 -0.69 -3.83 -0.00 -2.00 -0.11 114.58 108.71 2wv0 h GLU 159 Ca -0.13 -0.05 0.02 0.00 -0.00 0.00 0.00 59.36 59.20 2wv0 h GLU 159 Cb 0.58 -0.17 -0.04 0.00 -0.00 0.00 0.00 28.75 29.12 2wv0 h GLU 159 CO 0.18 0.51 0.46 0.66 -0.00 0.00 0.00 179.01 180.81 2wv0 h SER 160 N 0.79 0.76 -0.10 3.06 4.64 -1.99 -1.81 113.55 118.90 2wv0 h SER 160 Ca 0.57 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.78 2wv0 h SER 160 Cb 0.84 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2wv0 h SER 160 CO -0.37 0.54 -0.28 0.45 -0.87 0.00 0.00 176.83 176.30 2wv0 h HIS 161 N 0.89 0.47 0.00 4.77 3.86 -1.44 -3.28 115.15 120.42 2wv0 h HIS 161 Ca 0.26 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2wv0 h HIS 161 Cb -0.03 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2wv0 h HIS 161 CO -0.00 0.90 -0.01 0.74 0.86 0.00 0.00 177.93 180.42 2wv0 h PHE 162 N -0.08 0.00 0.00 2.45 0.04 -1.07 -2.70 116.94 115.58 2wv0 h PHE 162 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2wv0 h PHE 162 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.05 2wv0 h PHE 162 CO 0.11 0.01 -0.22 0.37 -0.60 0.00 0.00 178.31 177.98 2wv0 h GLN 163 N 0.00 0.00 0.00 1.51 5.75 -1.39 -3.44 115.11 117.54 2wv0 h GLN 163 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2wv0 h GLN 163 Cb 0.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2wv0 h GLN 163 CO 0.00 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.05 2wv0 n SER 164 N -2.86 0.54 -4.66 -0.69 3.41 -1.02 -4.29 113.62 104.06 2wv0 n SER 164 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 2wv0 n SER 164 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2wv0 n SER 164 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wv0 s SER 165 N 1.00 7.04 0.02 4.04 0.15 -1.26 -4.92 113.70 119.76 2wv0 s SER 165 Ca 0.00 1.46 -0.21 0.00 0.70 0.00 0.00 55.95 57.89 2wv0 s SER 165 Cb 0.00 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.60 2wv0 s SER 165 CO 0.00 -0.71 1.26 0.40 1.20 0.00 0.00 173.24 175.39 2wv0 h ILE 166 N 5.48 1.39 -0.85 6.45 2.04 -1.96 -3.00 117.51 127.07 2wv0 h ILE 166 Ca -0.21 -1.48 0.20 0.00 1.00 0.00 0.00 64.86 64.37 2wv0 h ILE 166 Cb 1.07 2.12 -0.15 0.00 -0.74 0.00 0.00 36.82 39.12 2wv0 h ILE 166 CO 0.98 0.43 -0.03 1.88 0.00 0.00 0.00 178.15 181.41 2wv0 h TYR 167 N -0.14 -0.13 -0.35 1.37 0.99 -1.98 0.14 116.97 116.87 2wv0 h TYR 167 Ca 0.00 0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.70 2wv0 h TYR 167 Cb 0.78 0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.69 2wv0 h TYR 167 CO 0.11 -0.32 -0.18 -0.44 -0.00 0.00 0.00 178.16 177.33 2wv0 h ASP 168 N 0.06 0.64 -0.43 3.88 5.19 -1.97 -2.66 116.42 121.13 2wv0 h ASP 168 Ca 0.47 -0.20 -0.05 0.00 -0.62 0.00 0.00 57.03 56.63 2wv0 h ASP 168 Cb 0.86 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 2wv0 h ASP 168 CO -0.79 0.83 0.08 -0.74 -3.12 0.00 0.00 179.24 175.50 2wv0 h HIS 169 N 0.58 0.76 -0.37 4.55 -0.00 -0.86 -2.09 115.15 117.72 2wv0 h HIS 169 Ca 0.09 -0.10 0.08 0.00 -0.00 0.00 0.00 60.37 60.44 2wv0 h HIS 169 Cb 0.63 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.74 2wv0 h HIS 169 CO 0.03 0.72 -0.23 0.82 -0.00 0.00 0.00 177.93 179.26 2wv0 h ILE 170 N 0.57 0.37 -0.46 6.26 1.08 -0.52 0.36 117.51 125.18 2wv0 h ILE 170 Ca 0.13 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2wv0 h ILE 170 Cb 0.37 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2wv0 h ILE 170 CO 0.01 0.00 0.12 -0.33 -0.69 0.00 0.00 178.15 177.26 2wv0 h GLU 171 N -0.18 0.73 -0.22 2.37 5.08 -1.48 -1.46 114.58 119.43 2wv0 h GLU 171 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2wv0 h GLU 171 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2wv0 h GLU 171 CO -0.47 0.72 -0.21 0.00 -1.00 0.00 0.00 179.01 178.04 2wv0 h ARG 172 N 0.61 0.39 0.08 2.33 3.08 -0.75 -0.78 114.38 119.34 2wv0 h ARG 172 Ca 0.15 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wv0 h ARG 172 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2wv0 h ARG 172 CO -0.00 0.59 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.53 2wv0 h TYR 173 N 0.36 -0.10 0.00 3.04 5.03 -0.20 -3.35 116.97 121.74 2wv0 h TYR 173 Ca 0.06 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2wv0 h TYR 173 Cb 0.58 0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2wv0 h TYR 173 CO 0.02 0.29 0.00 -0.91 -1.32 0.00 0.00 178.16 176.23 2wv0 h ASN 174 N -0.98 0.00 -5.87 -2.11 2.35 -1.33 -3.47 115.58 104.17 2wv0 h ASN 174 Ca -0.01 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.35 2wv0 h ASN 174 Cb 0.43 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.92 2wv0 h ASN 174 CO 0.02 0.00 -0.75 -1.20 -1.65 0.00 0.00 177.43 173.85 2wv0 n SER 175 N -2.76 -3.73 -3.69 5.81 7.64 -0.31 -5.03 113.62 111.55 2wv0 n SER 175 Ca 0.02 -0.64 -0.11 0.00 1.01 0.00 0.00 58.87 59.15 2wv0 n SER 175 Cb 0.36 -4.77 -0.10 0.00 -1.01 0.00 0.00 64.21 58.69 2wv0 n SER 175 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2wv0 s ILE 176 N -3.39 -0.01 0.90 0.44 2.07 -1.18 -5.07 121.20 114.95 2wv0 s ILE 176 Ca 0.28 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.46 2wv0 s ILE 176 Cb -0.13 -0.69 0.13 0.00 0.13 0.00 0.00 42.46 41.91 2wv0 s ILE 176 CO 0.76 0.02 1.11 -2.84 -1.91 0.00 0.00 174.94 172.07 2wv0 s PRO 177 N 0.95 1.19 0.32 3.50 0.02 -1.26 -4.26 135.00 135.46 2wv0 s PRO 177 Ca -0.06 1.21 -0.13 0.00 0.02 0.00 0.00 61.00 62.04 2wv0 s PRO 177 Cb -0.06 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 2wv0 s PRO 177 CO -0.08 -2.40 0.70 0.42 -0.33 0.00 0.00 177.00 175.31 2wv0 s ILE 178 N -2.76 4.76 0.00 2.83 1.01 -1.26 -2.88 121.20 122.90 2wv0 s ILE 178 Ca 0.65 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.05 2wv0 s ILE 178 Cb -0.20 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2wv0 s ILE 178 CO 0.58 -0.24 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 2wv0 n SER 179 N -0.54 1.22 -3.59 3.58 2.88 -1.04 -4.74 113.62 111.40 2wv0 n SER 179 Ca 0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 2wv0 n SER 179 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2wv0 n SER 179 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2wv0 s ARG 180 N -1.62 1.02 -0.04 -1.46 3.52 -1.15 -5.00 118.95 114.21 2wv0 s ARG 180 Ca 0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 55.22 2wv0 s ARG 180 Cb 0.00 0.47 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2wv0 s ARG 180 CO 0.00 -0.37 0.27 0.00 -0.81 0.00 0.00 175.30 174.39 2wv0 s ALA 181 N -2.48 -0.67 -0.12 6.12 0.00 -1.26 -0.07 121.76 123.27 2wv0 s ALA 181 Ca -0.05 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2wv0 s ALA 181 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2wv0 s ALA 181 CO -0.02 -0.21 0.01 0.21 0.00 0.00 0.00 175.76 175.75 2wv0 s LYS 182 N -0.86 3.36 -0.03 0.00 2.20 -0.37 -4.99 119.74 119.05 2wv0 s LYS 182 Ca -0.09 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 2wv0 s LYS 182 Cb -0.05 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 2wv0 s LYS 182 CO 0.02 0.53 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.40 2wv0 s GLN 183 N -0.38 0.26 -0.03 4.03 0.74 -1.26 -1.31 119.66 121.71 2wv0 s GLN 183 Ca 0.08 0.06 0.05 0.00 0.05 0.00 0.00 55.36 55.60 2wv0 s GLN 183 Cb -0.12 -0.43 -0.03 0.00 1.10 0.00 0.00 33.01 33.53 2wv0 s GLN 183 CO 0.02 -0.11 -0.17 -1.21 -0.55 0.00 0.00 175.29 173.26 2wv0 s GLU 184 N 0.89 2.37 -0.04 1.67 2.02 0.13 -4.97 118.70 120.77 2wv0 s GLU 184 Ca -0.09 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.16 2wv0 s GLU 184 Cb -0.12 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2wv0 s GLU 184 CO -0.02 0.60 -0.12 -0.51 0.02 0.00 0.00 175.26 175.23 2wv0 s LEU 185 N -0.78 1.79 -0.04 1.80 1.02 -1.26 -1.02 118.68 120.19 2wv0 s LEU 185 Ca 0.11 -0.26 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 2wv0 s LEU 185 Cb -0.10 -0.75 0.01 0.00 0.02 0.00 0.00 46.19 45.37 2wv0 s LEU 185 CO 0.01 0.09 0.11 -0.70 0.02 0.00 0.00 176.35 175.87 2wv0 s GLU 186 N 0.26 0.12 0.51 1.70 2.12 -0.19 -4.97 118.70 118.25 2wv0 s GLU 186 Ca -0.06 0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 2wv0 s GLU 186 Cb -0.11 0.03 -0.08 0.00 0.26 0.00 0.00 34.13 34.23 2wv0 s GLU 186 CO 0.02 -0.03 1.00 -1.25 -0.54 0.00 0.00 175.26 174.45 2wv0 s PRO 187 N 0.19 3.88 0.30 4.30 0.04 -1.26 0.29 135.00 142.74 2wv0 s PRO 187 Ca -0.01 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.89 2wv0 s PRO 187 Cb -0.02 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2wv0 s PRO 187 CO -0.01 -0.33 0.74 0.45 0.04 0.00 0.00 177.00 177.89 2wv0 s SER 188 N -2.78 -0.21 -0.14 6.66 0.15 -0.03 -4.82 113.70 112.54 2wv0 s SER 188 Ca 0.61 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 2wv0 s SER 188 Cb -0.11 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2wv0 s SER 188 CO 0.28 -1.41 0.00 0.00 1.20 0.00 0.00 173.24 173.31 2wv0 s ALA 189 N -3.59 3.20 0.17 5.45 0.00 -1.26 -1.04 121.76 124.69 2wv0 s ALA 189 Ca 0.12 -0.80 -0.32 0.00 0.00 0.00 0.00 51.96 50.97 2wv0 s ALA 189 Cb -0.06 -1.61 -0.11 0.00 0.00 0.00 0.00 23.12 21.34 2wv0 s ALA 189 CO 0.08 0.35 1.74 0.00 0.00 0.00 0.00 175.76 177.92 2wv0 s ALA 190 N -0.10 3.86 1.08 0.00 0.00 -0.06 -4.79 121.76 121.74 2wv0 s ALA 190 Ca 0.04 1.51 -0.13 0.00 0.00 0.00 0.00 51.96 53.38 2wv0 s ALA 190 Cb -0.13 -3.71 0.23 0.00 0.00 0.00 0.00 23.12 19.52 2wv0 s ALA 190 CO 0.02 -1.01 1.06 0.95 0.00 0.00 0.00 175.76 176.78 2wv0 s THR 191 N 1.72 2.06 0.19 0.00 -4.23 -1.26 -0.61 115.64 113.51 2wv0 s THR 191 Ca 0.76 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 61.17 2wv0 s THR 191 Cb -0.48 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.17 2wv0 s THR 191 CO 0.33 -0.02 1.74 0.74 -0.54 0.00 0.00 174.62 176.87 2wv0 h THR 192 N -2.25 0.81 0.00 3.99 2.02 -1.97 -0.07 112.91 115.44 2wv0 h THR 192 Ca -0.58 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2wv0 h THR 192 Cb 1.33 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2wv0 h THR 192 CO 0.54 0.06 -0.52 1.05 0.37 0.00 0.00 175.52 177.02 2wv0 h GLU 193 N 0.35 0.00 -0.08 6.66 9.09 -1.99 -1.22 114.58 127.39 2wv0 h GLU 193 Ca 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.63 2wv0 h GLU 193 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2wv0 h GLU 193 CO -0.26 0.12 -0.09 0.93 0.05 0.00 0.00 179.01 179.75 2wv0 h GLU 194 N 0.00 0.20 -0.28 1.06 5.08 -1.89 -2.86 114.58 115.89 2wv0 h GLU 194 Ca -0.02 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2wv0 h GLU 194 Cb 1.13 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 2wv0 h GLU 194 CO 0.02 0.65 0.04 0.00 -1.00 0.00 0.00 179.01 178.72 2wv0 h ALA 195 N 0.55 0.28 -0.30 3.43 0.00 -0.94 -0.47 119.26 121.81 2wv0 h ALA 195 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wv0 h ALA 195 Cb 0.62 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2wv0 h ALA 195 CO 0.02 -0.37 0.18 -0.91 0.00 0.00 0.00 179.25 178.17 2wv0 h ASN 196 N 0.14 0.36 -0.00 0.00 2.35 -1.29 0.13 115.58 117.27 2wv0 h ASN 196 Ca 0.13 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.71 2wv0 h ASN 196 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2wv0 h ASN 196 CO -0.19 0.30 -0.36 0.40 -1.65 0.00 0.00 177.43 175.93 2wv0 h ILE 197 N 0.38 1.29 0.00 2.81 2.04 -1.41 -3.13 117.51 119.49 2wv0 h ILE 197 Ca 0.11 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2wv0 h ILE 197 Cb 0.01 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2wv0 h ILE 197 CO -0.02 0.47 -0.47 -0.07 0.00 0.00 0.00 178.15 178.06 2wv0 h LEU 198 N 0.42 0.00 -0.47 1.44 3.38 -0.75 -3.46 115.31 115.86 2wv0 h LEU 198 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wv0 h LEU 198 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wv0 h LEU 198 CO 0.07 0.05 -0.02 0.61 0.09 0.00 0.00 178.44 179.24 2wv0 n GLY 199 N 1.27 0.64 3.52 0.83 0.00 0.38 -4.70 105.19 107.14 2wv0 n GLY 199 Ca 0.03 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 2wv0 n GLY 199 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv0 s ILE 200 N -2.53 1.05 0.29 -0.61 -4.36 -0.68 -5.05 121.20 109.31 2wv0 s ILE 200 Ca 0.01 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.15 2wv0 s ILE 200 Cb -0.00 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 41.03 2wv0 s ILE 200 CO 0.01 0.00 0.89 -1.10 0.24 0.00 0.00 174.94 174.98 2wv0 s GLN 201 N -3.82 4.53 0.11 0.37 -0.21 -1.26 -4.28 119.66 115.10 2wv0 s GLN 201 Ca 0.28 1.24 -0.36 0.00 0.02 0.00 0.00 55.36 56.54 2wv0 s GLN 201 Cb 0.06 -2.86 -0.16 0.00 1.00 0.00 0.00 33.01 31.05 2wv0 s GLN 201 CO 0.14 0.33 1.40 1.17 -2.12 0.00 0.00 175.29 176.21 2wv0 n LYS 202 N 0.69 1.43 0.00 2.91 4.81 -1.26 -1.20 118.16 125.54 2wv0 n LYS 202 Ca 0.01 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2wv0 n LYS 202 Cb 0.50 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.36 2wv0 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wv0 n GLY 203 N 2.74 2.00 3.70 3.14 0.00 0.22 -4.95 105.19 112.04 2wv0 n GLY 203 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2wv0 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv0 n ALA 204 N -1.15 0.73 -1.77 4.61 0.00 -0.34 -4.03 120.51 118.56 2wv0 n ALA 204 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 2wv0 n ALA 204 Cb 0.00 -2.28 0.01 0.00 0.00 0.00 0.00 19.45 17.18 2wv0 n ALA 204 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wv0 s PRO 205 N -3.49 3.82 -0.00 0.00 0.02 -1.26 -0.88 135.00 133.20 2wv0 s PRO 205 Ca 0.80 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 64.07 2wv0 s PRO 205 Cb -0.36 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2wv0 s PRO 205 CO 0.44 -0.68 0.16 0.14 -0.33 0.00 0.00 177.00 176.72 2wv0 s VAL 206 N -1.22 0.08 -0.19 3.83 -7.23 -0.21 -2.08 120.40 113.38 2wv0 s VAL 206 Ca 0.59 -0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 59.95 2wv0 s VAL 206 Cb -0.42 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 2wv0 s VAL 206 CO 0.54 -0.35 0.49 -0.76 -0.31 0.00 0.00 175.10 174.72 2wv0 s LEU 207 N -1.29 4.17 -0.17 1.32 1.43 -0.59 -0.85 118.68 122.70 2wv0 s LEU 207 Ca -0.14 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 2wv0 s LEU 207 Cb -0.07 -2.67 -0.00 0.00 0.03 0.00 0.00 46.19 43.47 2wv0 s LEU 207 CO 0.02 -0.14 0.99 -0.76 0.23 0.00 0.00 176.35 176.69 2wv0 s LEU 208 N 1.44 4.17 -0.14 1.79 1.02 0.15 -1.39 118.68 125.72 2wv0 s LEU 208 Ca 0.23 1.41 0.00 0.00 0.02 0.00 0.00 54.13 55.80 2wv0 s LEU 208 Cb -0.15 -3.50 0.02 0.00 0.02 0.00 0.00 46.19 42.58 2wv0 s LEU 208 CO 0.09 -0.54 -0.13 -0.63 0.02 0.00 0.00 176.35 175.17 2wv0 s ILE 209 N 2.54 1.47 -0.29 -0.59 1.01 -0.38 -1.02 121.20 123.95 2wv0 s ILE 209 Ca 0.45 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2wv0 s ILE 209 Cb -0.17 -1.39 0.03 0.00 0.01 0.00 0.00 42.46 40.95 2wv0 s ILE 209 CO 0.12 0.44 0.02 -0.75 0.00 0.00 0.00 174.94 174.77 2wv0 s LYS 210 N 1.44 2.70 -0.08 2.79 2.20 -0.19 -0.72 119.74 127.88 2wv0 s LYS 210 Ca 0.03 -1.10 0.05 0.00 -0.36 0.00 0.00 55.97 54.59 2wv0 s LYS 210 Cb -0.13 -3.21 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2wv0 s LYS 210 CO -0.09 -0.53 -0.23 0.50 -0.36 0.00 0.00 175.35 174.63 2wv0 s ARG 211 N 1.34 2.73 -0.22 4.03 3.52 -0.05 -0.70 118.95 129.60 2wv0 s ARG 211 Ca -0.02 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.70 2wv0 s ARG 211 Cb -0.18 -2.17 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 2wv0 s ARG 211 CO -0.01 0.25 -0.07 0.99 -0.81 0.00 0.00 175.30 175.66 2wv0 s THR 212 N 0.15 3.07 -0.13 4.11 2.01 -0.43 0.39 115.64 124.80 2wv0 s THR 212 Ca -0.12 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 2wv0 s THR 212 Cb -0.16 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2wv0 s THR 212 CO 0.06 0.37 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.48 2wv0 s THR 213 N 1.41 4.23 0.15 -0.82 2.01 -0.43 -1.23 115.64 120.97 2wv0 s THR 213 Ca 0.04 -0.25 0.08 0.00 0.31 0.00 0.00 61.69 61.87 2wv0 s THR 213 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2wv0 s THR 213 CO -0.05 0.53 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.00 2wv0 s TYR 214 N -0.12 2.67 0.74 4.92 2.02 0.90 -0.47 117.35 128.01 2wv0 s TYR 214 Ca 0.04 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 2wv0 s TYR 214 Cb -0.13 -1.34 0.10 0.00 -0.40 0.00 0.00 41.96 40.19 2wv0 s TYR 214 CO 0.02 0.48 1.05 -0.51 -1.57 0.00 0.00 175.55 175.02 2wv0 s LEU 215 N -2.61 2.86 0.56 -1.29 1.43 0.92 -2.49 118.68 118.05 2wv0 s LEU 215 Ca 0.23 0.24 0.26 0.00 -1.03 0.00 0.00 54.13 53.83 2wv0 s LEU 215 Cb -0.10 -2.74 1.52 0.00 0.03 0.00 0.00 46.19 44.90 2wv0 s LEU 215 CO 0.15 -1.81 2.08 0.06 0.23 0.00 0.00 176.35 177.05 2wv0 h GLN 216 N -0.72 0.00 -0.01 1.70 -0.00 -1.82 -1.45 115.11 112.81 2wv0 h GLN 216 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 2wv0 h GLN 216 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2wv0 h GLN 216 CO 0.52 0.00 -0.21 0.27 -0.00 0.00 0.00 178.83 179.41 2wv0 n ASN 217 N -4.08 0.81 0.00 0.06 0.23 -1.26 -4.95 115.26 106.08 2wv0 n ASN 217 Ca 0.03 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 2wv0 n ASN 217 Cb 0.37 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 2wv0 n ASN 217 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wv0 n GLY 218 N 1.33 1.02 3.62 4.83 0.00 -0.55 -5.11 105.19 110.33 2wv0 n GLY 218 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2wv0 n GLY 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wv0 s THR 219 N -2.00 5.00 0.12 2.61 -4.23 -1.25 -4.80 115.64 111.09 2wv0 s THR 219 Ca 0.00 0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.25 2wv0 s THR 219 Cb 0.00 -3.31 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 2wv0 s THR 219 CO 0.00 0.38 1.56 0.00 -0.54 0.00 0.00 174.62 176.02 2wv0 s ALA 220 N 0.92 3.71 -1.02 3.99 0.00 -1.26 -0.06 121.76 128.04 2wv0 s ALA 220 Ca 0.06 1.25 0.13 0.00 0.00 0.00 0.00 51.96 53.39 2wv0 s ALA 220 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2wv0 s ALA 220 CO 0.03 -0.87 0.68 1.97 0.00 0.00 0.00 175.76 177.57 2wv0 n PHE 221 N 4.59 0.00 -3.64 0.00 1.16 0.38 -4.85 117.46 115.10 2wv0 n PHE 221 Ca 0.14 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.66 2wv0 n PHE 221 Cb 0.40 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.20 2wv0 n PHE 221 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2wv0 s GLU 222 N -1.76 0.65 -0.16 3.97 2.12 -1.23 -4.26 118.70 118.03 2wv0 s GLU 222 Ca 0.09 1.18 -0.05 0.00 0.36 0.00 0.00 54.97 56.56 2wv0 s GLU 222 Cb 0.10 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 2wv0 s GLU 222 CO 0.37 -0.15 -0.01 -1.58 -0.54 0.00 0.00 175.26 173.35 2wv0 s HIS 223 N 1.74 3.07 -0.02 5.30 5.65 -0.90 -1.31 115.29 128.82 2wv0 s HIS 223 Ca -0.09 -0.23 0.03 0.00 0.25 0.00 0.00 55.06 55.02 2wv0 s HIS 223 Cb -0.06 -1.99 -0.00 0.00 -1.18 0.00 0.00 32.58 29.35 2wv0 s HIS 223 CO -0.19 -0.00 -0.12 0.00 -0.65 0.00 0.00 174.74 173.77 2wv0 s ALA 224 N 0.39 1.09 -0.13 1.58 0.00 0.16 -0.85 121.76 124.00 2wv0 s ALA 224 Ca -0.02 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2wv0 s ALA 224 Cb -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2wv0 s ALA 224 CO 0.02 0.22 -0.21 0.15 0.00 0.00 0.00 175.76 175.94 2wv0 s LYS 225 N -0.02 3.09 0.09 0.00 1.02 0.16 -0.87 119.74 123.20 2wv0 s LYS 225 Ca -0.00 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.20 2wv0 s LYS 225 Cb -0.08 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 2wv0 s LYS 225 CO 0.00 0.07 -0.12 -1.12 -0.92 0.00 0.00 175.35 173.26 2wv0 s SER 226 N 0.63 1.62 -0.23 2.83 0.01 0.11 0.18 113.70 118.85 2wv0 s SER 226 Ca -0.11 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2wv0 s SER 226 Cb -0.16 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.09 2wv0 s SER 226 CO 0.02 -0.18 -0.10 -0.69 0.41 0.00 0.00 173.24 172.71 2wv0 s VAL 227 N -1.97 1.85 -0.11 3.43 1.01 -0.17 -1.24 120.40 123.19 2wv0 s VAL 227 Ca 0.03 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 2wv0 s VAL 227 Cb -0.06 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2wv0 s VAL 227 CO 0.01 0.04 0.07 -0.31 0.00 0.00 0.00 175.10 174.92 2wv0 s TYR 228 N 1.27 3.38 0.02 5.22 2.02 -0.49 -1.43 117.35 127.34 2wv0 s TYR 228 Ca -0.05 0.34 -0.34 0.00 -0.37 0.00 0.00 57.07 56.64 2wv0 s TYR 228 Cb -0.18 -1.89 -0.13 0.00 -0.40 0.00 0.00 41.96 39.35 2wv0 s TYR 228 CO -0.07 0.56 1.71 0.54 -1.57 0.00 0.00 175.55 176.73 2wv0 n ARG 229 N 2.23 2.07 0.04 -0.62 1.74 -0.68 -1.54 116.66 119.89 2wv0 n ARG 229 Ca -0.19 0.75 0.11 0.00 -0.77 0.00 0.00 57.85 57.75 2wv0 n ARG 229 Cb 0.54 -2.55 0.46 0.00 -1.02 0.00 0.00 32.46 29.89 2wv0 n ARG 229 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wv0 n GLY 230 N 3.86 -1.32 0.03 -0.13 0.00 -0.89 -2.07 105.19 104.68 2wv0 n GLY 230 Ca 0.20 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2wv0 n GLY 230 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wv0 n ASP 231 N -1.73 0.62 0.00 1.61 5.75 -1.26 -4.32 116.55 117.22 2wv0 n ASP 231 Ca 0.05 -0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.62 2wv0 n ASP 231 Cb 0.28 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 2wv0 n ASP 231 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wv0 n ARG 232 N -1.80 4.60 -4.23 0.11 1.74 -1.21 -5.05 116.66 110.82 2wv0 n ARG 232 Ca 0.04 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 2wv0 n ARG 232 Cb 0.39 -0.44 -0.17 0.00 -1.02 0.00 0.00 32.46 31.23 2wv0 n ARG 232 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2wv0 s TYR 233 N -0.83 1.52 -0.04 -1.55 6.14 -0.88 -5.06 117.35 116.65 2wv0 s TYR 233 Ca 0.00 -0.68 0.07 0.00 0.64 0.00 0.00 57.07 57.10 2wv0 s TYR 233 Cb 0.00 -1.18 -0.02 0.00 0.42 0.00 0.00 41.96 41.18 2wv0 s TYR 233 CO 0.00 -0.42 -0.25 0.95 0.64 0.00 0.00 175.55 176.47 2wv0 s THR 234 N 1.21 2.06 -0.05 4.34 -4.23 -1.26 -4.68 115.64 113.03 2wv0 s THR 234 Ca -0.04 -1.09 -0.27 0.00 -1.18 0.00 0.00 61.69 59.11 2wv0 s THR 234 Cb -0.14 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 2wv0 s THR 234 CO -0.03 0.58 0.86 0.12 -0.54 0.00 0.00 174.62 175.61 2wv0 s PHE 235 N -0.43 3.60 -0.02 3.99 2.19 -1.26 -5.06 117.98 120.98 2wv0 s PHE 235 Ca 0.05 1.48 0.04 0.00 0.33 0.00 0.00 56.93 58.83 2wv0 s PHE 235 Cb -0.12 -2.99 -0.01 0.00 -1.31 0.00 0.00 43.02 38.60 2wv0 s PHE 235 CO 0.01 -0.01 -0.15 0.08 1.83 0.00 0.00 175.22 176.98 2wv0 s VAL 236 N 1.09 1.21 -0.14 3.12 1.01 -1.26 -5.15 120.40 120.29 2wv0 s VAL 236 Ca 0.45 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2wv0 s VAL 236 Cb -0.19 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.27 2wv0 s VAL 236 CO 0.22 0.35 0.90 -2.28 0.00 0.00 0.00 175.10 174.29 2wv0 s HIS 237 N -0.21 -0.47 0.17 5.22 5.04 -1.26 -4.71 115.29 119.06 2wv0 s HIS 237 Ca 0.03 0.84 -0.06 0.00 -1.54 0.00 0.00 55.06 54.33 2wv0 s HIS 237 Cb -0.07 0.43 -0.06 0.00 0.04 0.00 0.00 32.58 32.92 2wv0 s HIS 237 CO 0.00 -0.42 0.42 0.71 -2.34 0.00 0.00 174.74 173.11 2wv0 s TYR 238 N -1.02 3.46 0.08 3.88 2.02 0.48 -5.04 117.35 121.21 2wv0 s TYR 238 Ca -0.04 0.62 0.05 0.00 -0.37 0.00 0.00 57.07 57.32 2wv0 s TYR 238 Cb -0.01 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2wv0 s TYR 238 CO 0.04 0.39 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.64 2wv0 s MET 239 N -2.75 0.82 0.54 -0.62 -1.94 -1.26 -4.82 119.30 109.28 2wv0 s MET 239 Ca 0.42 -1.03 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 2wv0 s MET 239 Cb -0.12 -0.70 0.06 0.00 2.01 0.00 0.00 34.83 36.07 2wv0 s MET 239 CO 0.24 0.14 0.61 -0.51 -0.01 0.00 0.00 175.02 175.50 2wv0 s ASP 240 N -2.01 4.99 0.39 3.03 1.01 -1.26 -5.05 116.67 117.78 2wv0 s ASP 240 Ca 0.01 -0.93 0.16 0.00 0.71 0.00 0.00 52.55 52.49 2wv0 s ASP 240 Cb -0.07 0.18 0.81 0.00 1.01 0.00 0.00 42.92 44.85 2wv0 s ASP 240 CO 0.02 -1.16 1.85 0.08 0.21 0.00 0.00 175.17 176.17 2wv0 h ARG 241 N 0.47 0.00 0.00 8.23 0.11 -2.09 -3.58 114.38 117.52 2wv0 h ARG 241 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2wv0 h ARG 241 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2wv0 h ARG 241 CO 0.48 0.34 0.00 1.28 0.10 0.00 0.00 179.97 182.17