#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwg s ILE 3 N 0.00 3.88 -0.47 1.39 1.01 0.37 -1.41 121.20 125.97 2gwg s ILE 3 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2gwg s ILE 3 Cb 0.00 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.80 2gwg s ILE 3 CO 0.00 0.44 0.38 -0.62 0.00 0.00 0.00 174.94 175.14 2gwg s ASP 4 N 0.91 6.07 0.00 3.58 -1.08 0.17 -4.54 116.67 121.79 2gwg s ASP 4 Ca 0.01 -1.37 0.21 0.00 -0.52 0.00 0.00 52.55 50.88 2gwg s ASP 4 Cb -0.14 -2.16 1.20 0.00 -1.46 0.00 0.00 42.92 40.36 2gwg s ASP 4 CO 0.02 -0.64 1.78 2.30 0.52 0.00 0.00 175.17 179.15 2gwg n ILE 5 N 5.16 0.03 -3.67 4.11 -5.35 -0.98 -0.71 119.36 117.95 2gwg n ILE 5 Ca -0.12 -0.05 -0.28 0.00 -0.27 0.00 0.00 62.75 62.03 2gwg n ILE 5 Cb 0.43 -0.22 -0.16 0.00 -1.74 0.00 0.00 39.64 37.95 2gwg n ILE 5 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2gwg s HIS 6 N -1.97 0.83 -0.25 4.28 2.46 -1.26 -4.65 115.29 114.73 2gwg s HIS 6 Ca 0.32 -0.92 -0.26 0.00 0.47 0.00 0.00 55.06 54.67 2gwg s HIS 6 Cb 0.15 -1.06 0.09 0.00 -0.13 0.00 0.00 32.58 31.63 2gwg s HIS 6 CO 0.25 -0.69 0.83 0.20 -2.47 0.00 0.00 174.74 172.86 2gwg s GLY 7 N 1.92 -0.40 0.17 1.59 0.00 -1.20 -1.26 107.32 108.14 2gwg s GLY 7 Ca 0.04 2.19 0.11 0.00 0.00 0.00 0.00 44.72 47.05 2gwg s GLY 7 CO -0.18 1.68 -0.24 0.30 0.00 0.00 0.00 173.10 174.66 2gwg s HIS 8 N 0.13 2.23 -1.18 1.90 3.76 -1.26 -1.32 115.29 119.56 2gwg s HIS 8 Ca 0.00 -0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 54.34 2gwg s HIS 8 Cb -0.04 -1.13 0.08 0.00 1.11 0.00 0.00 32.58 32.59 2gwg s HIS 8 CO -0.01 0.43 1.57 -0.47 -0.85 0.00 0.00 174.74 175.41 2gwg s TYR 9 N -1.54 2.82 -2.50 1.40 5.04 -0.68 -4.71 117.35 117.18 2gwg s TYR 9 Ca 0.18 -1.44 0.23 0.00 -2.44 0.00 0.00 57.07 53.60 2gwg s TYR 9 Cb -0.08 -4.65 0.58 0.00 0.35 0.00 0.00 41.96 38.16 2gwg s TYR 9 CO 0.08 -1.77 1.47 0.25 -1.34 0.00 0.00 175.55 174.24 2gwg n THR 10 N 6.25 0.25 -1.39 4.34 -2.24 -1.26 -4.23 114.28 115.99 2gwg n THR 10 Ca 0.41 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2gwg n THR 10 Cb 0.47 0.79 0.20 0.00 -2.10 0.00 0.00 70.33 69.70 2gwg n THR 10 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2gwg n THR 11 N 0.88 2.33 -1.85 4.28 -2.24 -1.26 -5.05 114.28 111.37 2gwg n THR 11 Ca 0.17 -2.74 -0.34 0.00 -2.27 0.00 0.00 64.05 58.88 2gwg n THR 11 Cb 0.47 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.47 2gwg n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwg s ALA 12 N -3.15 2.49 0.70 6.98 0.00 -1.26 -4.78 121.76 122.74 2gwg s ALA 12 Ca 0.41 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 2gwg s ALA 12 Cb 0.37 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2gwg s ALA 12 CO -0.01 -1.22 1.27 -2.14 0.00 0.00 0.00 175.76 173.66 2gwg s PRO 13 N -3.84 2.25 0.62 0.00 0.02 -1.26 -4.87 135.00 127.92 2gwg s PRO 13 Ca 0.70 1.96 0.33 0.00 0.02 0.00 0.00 61.00 64.01 2gwg s PRO 13 Cb -0.23 -1.82 1.87 0.00 0.02 0.00 0.00 34.50 34.34 2gwg s PRO 13 CO 0.38 -1.80 2.16 -0.22 -0.33 0.00 0.00 177.00 177.19 2gwg h LYS 14 N 0.07 0.00 -0.79 5.54 3.64 -1.98 -1.79 116.57 121.26 2gwg h LYS 14 Ca -0.49 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.05 2gwg h LYS 14 Cb 1.32 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 2gwg h LYS 14 CO 0.51 0.00 0.53 0.00 -2.27 0.00 0.00 179.45 178.21 2gwg h ALA 15 N 1.78 2.13 0.06 5.00 0.00 -1.89 -1.20 119.26 125.13 2gwg h ALA 15 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gwg h ALA 15 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gwg h ALA 15 CO -0.00 -0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.12 2gwg h LEU 16 N 0.42 -0.07 -0.84 0.00 5.85 -1.67 -1.88 115.31 117.12 2gwg h LEU 16 Ca 0.39 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2gwg h LEU 16 Cb 0.91 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2gwg h LEU 16 CO -0.13 0.24 0.47 -0.33 -0.34 0.00 0.00 178.44 178.35 2gwg h GLU 17 N -0.39 1.17 -0.64 1.25 3.07 -1.54 -0.70 114.58 116.80 2gwg h GLU 17 Ca -0.01 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 2gwg h GLU 17 Cb 0.34 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2gwg h GLU 17 CO 0.01 0.85 0.28 -0.44 -1.40 0.00 0.00 179.01 178.32 2gwg h ASP 18 N 1.17 0.86 -0.30 1.42 3.32 -1.22 -0.81 116.42 120.86 2gwg h ASP 18 Ca 0.30 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2gwg h ASP 18 Cb 0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2gwg h ASP 18 CO -0.05 0.77 0.11 -0.25 -1.72 0.00 0.00 179.24 178.10 2gwg h TRP 19 N 0.89 0.46 -0.29 4.55 7.01 -0.97 -2.45 115.95 125.15 2gwg h TRP 19 Ca 0.22 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.23 2gwg h TRP 19 Cb 0.16 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 2gwg h TRP 19 CO 0.01 0.46 -0.07 -0.09 -2.79 0.00 0.00 178.44 175.96 2gwg h ARG 20 N 0.33 -0.00 -0.91 2.65 9.65 -0.78 -0.44 114.38 124.88 2gwg h ARG 20 Ca 0.10 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 2gwg h ARG 20 Cb 0.20 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 2gwg h ARG 20 CO -0.01 -0.00 0.59 -0.91 2.80 0.00 0.00 179.97 182.44 2gwg h ASN 21 N -0.00 0.91 -0.47 -3.80 2.35 -1.00 -0.11 115.58 113.45 2gwg h ASN 21 Ca 0.14 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2gwg h ASN 21 Cb 0.21 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 2gwg h ASN 21 CO -0.30 0.58 0.08 0.03 -1.65 0.00 0.00 177.43 176.17 2gwg h ARG 22 N 1.03 0.77 -0.60 0.81 3.08 -0.80 -0.69 114.38 117.98 2gwg h ARG 22 Ca 0.39 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2gwg h ARG 22 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2gwg h ARG 22 CO -0.15 0.78 0.36 0.37 -1.07 0.00 0.00 179.97 180.26 2gwg h GLN 23 N 0.64 0.82 -0.45 0.04 4.15 -0.11 -0.62 115.11 119.58 2gwg h GLN 23 Ca 0.14 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2gwg h GLN 23 Cb 0.38 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2gwg h GLN 23 CO 0.01 0.59 0.23 0.82 -1.93 0.00 0.00 178.83 178.55 2gwg h ILE 24 N 0.81 1.17 0.00 2.39 2.04 -0.82 -1.36 117.51 121.74 2gwg h ILE 24 Ca 0.21 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2gwg h ILE 24 Cb -0.01 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2gwg h ILE 24 CO -0.04 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.30 2gwg n ALA 25 N -2.28 1.75 0.09 1.87 0.00 -0.29 -2.65 120.51 119.00 2gwg n ALA 25 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2gwg n ALA 25 Cb 0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 2gwg n ALA 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2gwg h GLY 26 N 2.81 0.00 1.88 0.00 0.00 0.06 -1.66 103.07 106.16 2gwg h GLY 26 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2gwg h GLY 26 CO 0.00 0.00 0.01 1.19 0.00 0.00 0.00 176.54 177.74 2gwg h ILE 27 N 0.00 1.07 0.04 2.60 6.09 -1.39 -3.00 117.51 122.92 2gwg h ILE 27 Ca -0.06 -0.25 -0.38 0.00 -1.37 0.00 0.00 64.86 62.80 2gwg h ILE 27 Cb 1.56 0.97 -0.05 0.00 0.47 0.00 0.00 36.82 39.76 2gwg h ILE 27 CO 0.08 0.08 -2.26 0.29 -3.07 0.00 0.00 178.15 173.27 2gwg n LYS 28 N -4.46 0.67 -3.88 2.19 4.76 -1.24 -4.79 118.16 111.41 2gwg n LYS 28 Ca -0.01 0.23 -0.34 0.00 -2.87 0.00 0.00 58.31 55.32 2gwg n LYS 28 Cb 0.13 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 31.60 2gwg n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2gwg s ASP 29 N -6.83 5.01 0.63 4.39 -1.08 -0.62 -4.98 116.67 113.20 2gwg s ASP 29 Ca -0.31 -2.15 0.41 0.00 -0.52 0.00 0.00 52.55 49.98 2gwg s ASP 29 Cb 0.09 -1.74 2.11 0.00 -1.46 0.00 0.00 42.92 41.92 2gwg s ASP 29 CO 0.64 -0.46 2.26 1.55 0.52 0.00 0.00 175.17 179.68 2gwg h PRO 30 N 7.77 0.00 0.00 4.34 0.13 -1.80 -2.57 132.00 139.88 2gwg h PRO 30 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2gwg h PRO 30 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2gwg h PRO 30 CO 0.62 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 179.04 2gwg h SER 31 N 0.00 0.00 -3.66 1.44 4.64 -1.93 -3.47 113.55 110.56 2gwg h SER 31 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2gwg h SER 31 Cb 0.16 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.03 2gwg h SER 31 CO 0.00 0.01 -0.53 0.68 -0.87 0.00 0.00 176.83 176.12 2gwg s VAL 32 N -3.63 4.82 0.06 0.95 -7.23 -0.97 -5.15 120.40 109.25 2gwg s VAL 32 Ca 0.02 -0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 59.71 2gwg s VAL 32 Cb 0.09 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.53 2gwg s VAL 32 CO 0.56 0.01 0.14 -2.16 -0.31 0.00 0.00 175.10 173.34 2gwg s PRO 34 N 1.64 0.70 0.05 4.82 0.04 -1.26 -4.64 135.00 136.35 2gwg s PRO 34 Ca 0.05 -0.83 0.01 0.00 0.04 0.00 0.00 61.00 60.28 2gwg s PRO 34 Cb -0.17 0.28 -0.04 0.00 0.04 0.00 0.00 34.50 34.61 2gwg s PRO 34 CO 0.08 -0.20 0.11 0.15 0.04 0.00 0.00 177.00 177.18 2gwg s LYS 35 N -3.12 3.06 0.30 4.56 1.02 -1.26 -4.97 119.74 119.34 2gwg s LYS 35 Ca -0.01 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.43 2gwg s LYS 35 Cb 0.02 -2.83 0.59 0.00 -0.52 0.00 0.00 37.83 35.08 2gwg s LYS 35 CO -0.07 0.60 1.86 0.28 -0.92 0.00 0.00 175.35 177.10 2gwg h VAL 36 N 2.62 0.95 0.00 3.17 2.07 -2.01 0.89 116.25 123.94 2gwg h VAL 36 Ca -0.47 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2gwg h VAL 36 Cb 1.17 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2gwg h VAL 36 CO 0.67 0.18 0.00 -1.54 0.02 0.00 0.00 177.57 176.90 2gwg n SER 37 N -4.57 0.60 0.18 0.57 3.41 -1.26 -1.59 113.62 110.96 2gwg n SER 37 Ca 0.17 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.64 2gwg n SER 37 Cb 0.32 -0.83 0.24 0.00 -0.26 0.00 0.00 64.21 63.68 2gwg n SER 37 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2gwg h GLU 38 N 0.00 0.00 -6.14 4.33 5.08 -1.21 -3.44 114.58 113.20 2gwg h GLU 38 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2gwg h GLU 38 Cb 0.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2gwg h GLU 38 CO 0.00 0.00 0.86 -1.17 -1.00 0.00 0.00 179.01 177.70 2gwg s LEU 39 N -5.62 4.12 -0.34 1.33 2.96 -0.62 -5.00 118.68 115.52 2gwg s LEU 39 Ca 0.08 1.51 -0.03 0.00 -0.22 0.00 0.00 54.13 55.48 2gwg s LEU 39 Cb 0.08 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.29 2gwg s LEU 39 CO 0.65 -0.74 0.07 -0.54 -1.32 0.00 0.00 176.35 174.47 2gwg s LYS 40 N 3.41 2.30 -0.21 1.98 1.02 -1.26 -5.04 119.74 121.94 2gwg s LYS 40 Ca 0.50 -1.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 2gwg s LYS 40 Cb -0.18 -3.34 0.07 0.00 -0.52 0.00 0.00 37.83 33.86 2gwg s LYS 40 CO 0.11 -0.77 0.08 0.42 -0.92 0.00 0.00 175.35 174.28 2gwg s ILE 41 N 1.23 0.18 0.68 2.17 1.01 -1.26 -4.86 121.20 120.34 2gwg s ILE 41 Ca -0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2gwg s ILE 41 Cb -0.21 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2gwg s ILE 41 CO -0.02 -0.36 1.03 -0.94 0.00 0.00 0.00 174.94 174.65 2gwg s SER 42 N 2.01 5.31 0.26 3.58 1.04 -1.26 -4.94 113.70 119.70 2gwg s SER 42 Ca 0.03 0.88 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 2gwg s SER 42 Cb -0.16 -1.69 0.34 0.00 0.10 0.00 0.00 66.02 64.61 2gwg s SER 42 CO -0.15 -1.35 1.76 0.44 0.98 0.00 0.00 173.24 174.93 2gwg h ASP 43 N -0.54 0.75 -0.66 7.02 3.32 -2.01 -1.67 116.42 122.62 2gwg h ASP 43 Ca -0.45 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.35 2gwg h ASP 43 Cb 1.27 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2gwg h ASP 43 CO 0.63 0.82 0.18 -0.78 -1.72 0.00 0.00 179.24 178.36 2gwg h ASP 44 N 0.73 1.01 -0.46 6.45 3.58 -1.99 0.19 116.42 125.93 2gwg h ASP 44 Ca 0.14 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 2gwg h ASP 44 Cb 0.46 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2gwg h ASP 44 CO 0.02 0.96 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.94 2gwg h GLU 45 N 1.02 0.91 -0.10 0.28 5.08 -1.87 -0.98 114.58 118.92 2gwg h GLU 45 Ca 0.22 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2gwg h GLU 45 Cb 0.34 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2gwg h GLU 45 CO -0.00 0.95 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.86 2gwg h LEU 46 N 0.83 0.21 -0.42 1.33 3.38 -0.79 -2.14 115.31 117.70 2gwg h LEU 46 Ca 0.14 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2gwg h LEU 46 Cb 0.60 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 2gwg h LEU 46 CO 0.04 0.53 0.19 1.56 0.09 0.00 0.00 178.44 180.85 2gwg h GLN 47 N -0.12 0.38 -0.59 1.13 4.20 -0.52 -2.18 115.11 117.40 2gwg h GLN 47 Ca 0.03 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gwg h GLN 47 Cb 0.44 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2gwg h GLN 47 CO 0.01 0.25 0.37 0.00 -0.67 0.00 0.00 178.83 178.79 2gwg h ALA 48 N 1.24 0.76 -0.27 3.87 0.00 -1.16 0.20 119.26 123.89 2gwg h ALA 48 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2gwg h ALA 48 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2gwg h ALA 48 CO -0.15 0.22 0.12 0.66 0.00 0.00 0.00 179.25 180.10 2gwg h SER 49 N 0.80 0.34 0.04 0.00 4.64 -0.98 -2.52 113.55 115.86 2gwg h SER 49 Ca 0.21 -0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 2gwg h SER 49 Cb -0.04 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2gwg h SER 49 CO -0.04 0.30 -0.99 0.40 -0.87 0.00 0.00 176.83 175.63 2gwg h ILE 50 N 0.38 1.18 -0.77 0.95 1.08 -0.93 -3.24 117.51 116.15 2gwg h ILE 50 Ca 0.10 -2.29 0.07 0.00 -0.39 0.00 0.00 64.86 62.34 2gwg h ILE 50 Cb 0.07 2.68 -0.06 0.00 -3.07 0.00 0.00 36.82 36.44 2gwg h ILE 50 CO -0.01 0.52 0.45 0.40 -0.69 0.00 0.00 178.15 178.82 2gwg h ILE 51 N -0.77 0.98 0.00 -0.67 2.04 -0.59 -0.23 117.51 118.27 2gwg h ILE 51 Ca -0.25 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2gwg h ILE 51 Cb 1.38 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 2gwg h ILE 51 CO -0.07 0.15 -0.16 -0.62 0.00 0.00 0.00 178.15 177.45 2gwg n GLU 52 N -4.71 0.16 0.00 2.37 1.02 -0.95 -3.00 120.64 115.53 2gwg n GLU 52 Ca 0.11 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2gwg n GLU 52 Cb 0.19 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2gwg n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gwg n ASN 53 N -1.93 0.00 -0.07 1.62 3.02 -0.92 -4.74 115.26 112.25 2gwg n ASN 53 Ca 0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.54 2gwg n ASN 53 Cb 0.39 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 2gwg n ASN 53 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2gwg h GLN 54 N 0.00 -0.03 -0.37 3.52 7.50 -1.71 -0.86 115.11 123.16 2gwg h GLN 54 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2gwg h GLN 54 Cb 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 2gwg h GLN 54 CO 0.00 -0.02 0.22 1.25 -1.50 0.00 0.00 178.83 178.79 2gwg h LEU 55 N -0.03 0.44 -0.38 1.46 5.85 -1.29 -2.88 115.31 118.48 2gwg h LEU 55 Ca 0.14 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2gwg h LEU 55 Cb 0.24 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2gwg h LEU 55 CO -0.30 0.36 0.21 0.50 -0.34 0.00 0.00 178.44 178.88 2gwg h LYS 56 N 0.48 0.42 -1.72 1.25 3.64 -1.38 -1.89 116.57 117.38 2gwg h LYS 56 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2gwg h LYS 56 Cb 0.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2gwg h LYS 56 CO -0.03 0.28 0.00 1.63 -2.27 0.00 0.00 179.45 179.06 2gwg n LYS 57 N -4.90 0.38 0.00 1.90 5.02 -0.36 -1.93 118.16 118.27 2gwg n LYS 57 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2gwg n LYS 57 Cb 0.07 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2gwg n LYS 57 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2gwg n GLN 59 N 1.06 0.00 -0.30 1.97 6.02 -0.71 -0.67 117.38 124.76 2gwg n GLN 59 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2gwg n GLN 59 Cb 0.19 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.52 2gwg n GLN 59 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2gwg h GLU 60 N 0.00 1.11 0.00 -1.09 5.08 -1.66 -2.99 114.58 115.03 2gwg h GLU 60 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2gwg h GLU 60 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2gwg h GLU 60 CO 0.00 0.80 -0.37 0.54 -1.00 0.00 0.00 179.01 178.98 2gwg n ARG 61 N -4.44 0.01 -2.52 2.33 1.74 0.16 -4.98 116.66 108.96 2gwg n ARG 61 Ca 0.08 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 2gwg n ARG 61 Cb 0.07 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 2gwg n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gwg n GLY 62 N 1.50 0.83 3.60 -0.13 0.00 -1.13 -4.98 105.19 104.88 2gwg n GLY 62 Ca 0.06 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2gwg n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gwg s SER 63 N -3.02 4.69 -0.23 1.61 0.15 -1.26 -4.79 113.70 110.84 2gwg s SER 63 Ca 0.03 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 2gwg s SER 63 Cb -0.01 -1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 63.05 2gwg s SER 63 CO 0.04 0.29 -0.24 0.47 1.20 0.00 0.00 173.24 175.00 2gwg n ASP 64 N 1.63 2.03 -3.87 5.45 8.00 -0.50 -4.47 116.55 124.81 2gwg n ASP 64 Ca -0.16 0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.23 2gwg n ASP 64 Cb 0.53 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.98 2gwg n ASP 64 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2gwg s LEU 65 N -6.71 1.56 -0.07 0.64 2.96 -0.95 -4.25 118.68 111.85 2gwg s LEU 65 Ca -0.32 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2gwg s LEU 65 Cb 0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2gwg s LEU 65 CO 0.48 -0.03 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.38 2gwg s THR 66 N 0.51 2.43 -0.63 3.68 2.01 -0.29 0.43 115.64 123.79 2gwg s THR 66 Ca -0.05 -0.92 -0.25 0.00 0.31 0.00 0.00 61.69 60.78 2gwg s THR 66 Cb -0.08 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.54 2gwg s THR 66 CO -0.01 0.57 1.06 -0.69 -0.69 0.00 0.00 174.62 174.85 2gwg s VAL 67 N -0.14 4.17 -0.21 3.82 1.01 0.11 -1.35 120.40 127.81 2gwg s VAL 67 Ca -0.03 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 2gwg s VAL 67 Cb -0.14 -4.69 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 2gwg s VAL 67 CO 0.04 -1.42 0.47 0.12 0.00 0.00 0.00 175.10 174.31 2gwg s PHE 68 N 4.52 3.36 0.20 5.22 5.36 0.21 -3.25 117.98 133.59 2gwg s PHE 68 Ca 0.31 0.69 0.05 0.00 -0.96 0.00 0.00 56.93 57.01 2gwg s PHE 68 Cb -0.12 -2.62 -0.05 0.00 -0.34 0.00 0.00 43.02 39.89 2gwg s PHE 68 CO 0.16 -0.09 -0.07 -1.54 -1.46 0.00 0.00 175.22 172.22 2gwg s SER 69 N 1.18 2.03 0.73 6.13 1.04 -0.43 -1.45 113.70 122.92 2gwg s SER 69 Ca 0.22 -1.10 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 2gwg s SER 69 Cb -0.15 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 65.96 2gwg s SER 69 CO 0.09 -0.37 1.25 -2.84 0.98 0.00 0.00 173.24 172.36 2gwg s PRO 70 N -3.77 2.09 0.77 4.02 0.02 -1.26 -1.68 135.00 135.19 2gwg s PRO 70 Ca 0.23 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 2gwg s PRO 70 Cb 0.03 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.78 2gwg s PRO 70 CO 0.05 -1.91 1.00 0.54 -0.33 0.00 0.00 177.00 176.35 2gwg n ARG 71 N -2.60 0.34 -1.68 5.54 1.74 -1.26 -4.69 116.66 114.05 2gwg n ARG 71 Ca 0.15 0.18 -0.46 0.00 -0.77 0.00 0.00 57.85 56.95 2gwg n ARG 71 Cb 0.49 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 2gwg n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gwg n ALA 72 N -2.85 1.51 -0.07 7.54 0.00 -1.26 -5.05 120.51 120.33 2gwg n ALA 72 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2gwg n ALA 72 Cb 0.50 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2gwg n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gwg n GLY 80 N 3.57 0.25 0.00 0.00 0.00 -1.26 -4.38 105.19 103.37 2gwg n GLY 80 Ca 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2gwg n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gwg n ASP 81 N 2.76 0.09 -0.00 1.61 5.75 -1.26 -4.83 116.55 120.67 2gwg n ASP 81 Ca 0.00 -0.19 -0.18 0.00 -0.01 0.00 0.00 54.79 54.41 2gwg n ASP 81 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 2gwg n ASP 81 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2gwg h PHE 82 N 0.01 0.91 -0.78 2.11 3.04 -1.96 -2.99 116.94 117.29 2gwg h PHE 82 Ca 0.00 -0.45 0.12 0.00 3.98 0.00 0.00 57.97 61.62 2gwg h PHE 82 Cb 0.00 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 38.30 2gwg h PHE 82 CO 0.00 1.27 0.39 -0.91 -2.02 0.00 0.00 178.31 177.03 2gwg h ASN 83 N 0.30 0.48 0.52 0.41 2.35 -1.96 0.61 115.58 118.29 2gwg h ASN 83 Ca -0.08 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2gwg h ASN 83 Cb 1.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.80 2gwg h ASN 83 CO 0.16 0.24 -0.25 0.58 -1.65 0.00 0.00 177.43 176.50 2gwg h VAL 84 N 0.61 0.37 -0.87 2.81 2.07 -1.96 -1.76 116.25 117.51 2gwg h VAL 84 Ca 0.40 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2gwg h VAL 84 Cb 0.50 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 2gwg h VAL 84 CO -0.32 0.05 0.57 0.28 0.02 0.00 0.00 177.57 178.17 2gwg h SER 85 N -0.97 0.86 -0.50 0.57 0.02 -1.31 0.54 113.55 112.76 2gwg h SER 85 Ca -0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2gwg h SER 85 Cb 0.62 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2gwg h SER 85 CO 0.12 0.55 0.24 -1.28 -1.14 0.00 0.00 176.83 175.31 2gwg h SER 86 N 0.97 0.65 -0.14 3.07 0.87 0.27 0.36 113.55 119.59 2gwg h SER 86 Ca 0.38 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2gwg h SER 86 Cb 0.23 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2gwg h SER 86 CO -0.14 0.59 -0.05 0.74 -0.53 0.00 0.00 176.83 177.44 2gwg h THR 87 N 0.66 1.30 -0.40 2.23 2.02 -0.38 -2.13 112.91 116.21 2gwg h THR 87 Ca 0.17 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2gwg h THR 87 Cb 0.12 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2gwg h THR 87 CO -0.02 0.30 0.22 -0.25 0.37 0.00 0.00 175.52 176.14 2gwg h TRP 88 N -0.03 0.54 -0.36 3.16 -0.00 -0.84 -1.88 115.95 116.54 2gwg h TRP 88 Ca 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 2gwg h TRP 88 Cb 0.50 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.47 2gwg h TRP 88 CO 0.06 0.41 0.18 0.00 -0.00 0.00 0.00 178.44 179.09 2gwg h ALA 89 N 1.08 0.46 -0.96 2.65 0.00 -0.95 -1.16 119.26 120.38 2gwg h ALA 89 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2gwg h ALA 89 Cb 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2gwg h ALA 89 CO -0.02 0.02 0.63 0.00 0.00 0.00 0.00 179.25 179.87 2gwg h ALA 90 N 1.03 1.39 0.01 0.00 0.00 -1.21 0.26 119.26 120.74 2gwg h ALA 90 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gwg h ALA 90 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2gwg h ALA 90 CO -0.02 0.51 -0.01 0.82 0.00 0.00 0.00 179.25 180.56 2gwg h ILE 91 N 1.20 1.20 -0.70 0.00 2.04 -0.98 -1.91 117.51 118.37 2gwg h ILE 91 Ca 0.38 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2gwg h ILE 91 Cb 0.03 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2gwg h ILE 91 CO -0.12 0.17 0.19 0.00 0.00 0.00 0.00 178.15 178.38 2gwg h ASN 93 N 1.04 1.00 -0.86 0.00 2.35 -0.98 -2.56 115.58 115.56 2gwg h ASN 93 Ca 0.22 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2gwg h ASN 93 Cb 0.35 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2gwg h ASN 93 CO -0.00 1.13 0.57 -0.08 -1.65 0.00 0.00 177.43 177.40 2gwg h GLU 94 N 0.85 1.13 -0.47 0.81 4.81 -1.14 0.02 114.58 120.59 2gwg h GLU 94 Ca 0.13 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2gwg h GLU 94 Cb 0.71 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2gwg h GLU 94 CO 0.05 0.75 0.17 -0.07 -0.73 0.00 0.00 179.01 179.18 2gwg h LEU 95 N 1.17 0.66 -1.06 1.64 3.38 -1.15 0.18 115.31 120.12 2gwg h LEU 95 Ca 0.32 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2gwg h LEU 95 Cb -0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2gwg h LEU 95 CO -0.07 0.66 -0.00 0.00 0.09 0.00 0.00 178.44 179.12 2gwg h TYR 97 N 0.63 0.59 -0.71 0.00 5.03 -0.40 -1.47 116.97 120.63 2gwg h TYR 97 Ca 0.13 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.37 2gwg h TYR 97 Cb 0.40 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.48 2gwg h TYR 97 CO 0.02 0.59 0.47 0.00 -1.32 0.00 0.00 178.16 177.93 2gwg h ARG 98 N 0.41 0.94 -0.47 1.82 3.08 -0.17 -0.86 114.38 119.12 2gwg h ARG 98 Ca 0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2gwg h ARG 98 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2gwg h ARG 98 CO 0.00 0.62 0.16 0.28 -1.07 0.00 0.00 179.97 179.96 2gwg h VAL 99 N 0.97 1.22 -0.21 2.04 2.07 -0.89 -1.63 116.25 119.81 2gwg h VAL 99 Ca 0.26 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 2gwg h VAL 99 Cb -0.11 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2gwg h VAL 99 CO -0.06 0.27 -0.07 0.77 0.02 0.00 0.00 177.57 178.50 2gwg h SER 100 N 0.63 0.30 -0.04 0.57 4.64 -0.26 -0.35 113.55 119.04 2gwg h SER 100 Ca 0.15 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 2gwg h SER 100 Cb 0.25 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2gwg h SER 100 CO -0.01 0.41 -0.47 1.56 -0.87 0.00 0.00 176.83 177.46 2gwg h GLN 101 N 0.31 0.59 -0.00 4.77 4.20 -0.86 -0.37 115.11 123.76 2gwg h GLN 101 Ca 0.07 -0.33 -0.16 0.00 0.06 0.00 0.00 58.65 58.28 2gwg h GLN 101 Cb 0.32 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2gwg h GLN 101 CO 0.01 0.93 -0.75 -0.07 -0.67 0.00 0.00 178.83 178.29 2gwg h LEU 102 N 0.47 0.06 -6.00 1.46 4.07 -0.83 -3.36 115.31 111.18 2gwg h LEU 102 Ca 0.03 -0.04 -0.54 0.00 0.08 0.00 0.00 57.88 57.40 2gwg h LEU 102 Cb 1.00 -0.02 -0.40 0.00 1.08 0.00 0.00 40.66 42.32 2gwg h LEU 102 CO 0.09 0.79 -1.08 0.49 -1.08 0.00 0.00 178.44 177.65 2gwg n PHE 103 N -3.67 0.15 0.34 1.13 3.72 -0.18 -4.99 117.46 113.95 2gwg n PHE 103 Ca -0.01 -3.67 0.21 0.00 -0.05 0.00 0.00 57.45 53.92 2gwg n PHE 103 Cb 0.73 -0.38 1.13 0.00 -0.94 0.00 0.00 39.48 40.01 2gwg n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2gwg h PRO 104 N 3.75 0.00 0.00 -1.08 0.13 -1.22 -2.21 132.00 131.37 2gwg h PRO 104 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2gwg h PRO 104 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2gwg h PRO 104 CO 0.50 0.00 -0.86 -0.25 -0.23 0.00 0.00 178.00 177.17 2gwg n ASP 105 N -3.08 0.69 -0.00 1.44 8.00 -1.26 -4.47 116.55 117.87 2gwg n ASP 105 Ca -0.03 -0.48 0.02 0.00 0.71 0.00 0.00 54.79 55.02 2gwg n ASP 105 Cb 0.14 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 2gwg n ASP 105 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2gwg n ASN 106 N -1.66 2.43 -3.91 -2.24 4.13 -0.88 -4.53 115.26 108.60 2gwg n ASN 106 Ca 0.04 -0.24 -0.16 0.00 1.68 0.00 0.00 54.58 55.89 2gwg n ASN 106 Cb 0.37 1.14 -0.15 0.00 -1.54 0.00 0.00 39.78 39.60 2gwg n ASN 106 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2gwg s PHE 107 N -1.99 0.41 -0.03 3.10 0.08 -0.92 -1.14 117.98 117.49 2gwg s PHE 107 Ca -0.00 -0.07 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2gwg s PHE 107 Cb 0.03 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.18 2gwg s PHE 107 CO 0.20 -0.05 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.71 2gwg s ILE 108 N 0.23 0.62 0.50 0.64 1.10 -0.45 -4.56 121.20 119.27 2gwg s ILE 108 Ca -0.02 -0.22 -0.19 0.00 -0.51 0.00 0.00 60.65 59.71 2gwg s ILE 108 Cb -0.05 -0.60 -0.08 0.00 0.15 0.00 0.00 42.46 41.88 2gwg s ILE 108 CO -0.00 0.22 1.01 -0.83 -2.11 0.00 0.00 174.94 173.23 2gwg s GLY 109 N 0.57 2.29 -0.07 1.50 0.00 -1.26 0.64 107.32 110.99 2gwg s GLY 109 Ca -0.08 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.06 2gwg s GLY 109 CO 0.00 0.70 -0.10 0.00 0.00 0.00 0.00 173.10 173.71 2gwg s ALA 110 N -2.29 1.17 1.00 3.20 0.00 -0.52 -1.65 121.76 122.67 2gwg s ALA 110 Ca 0.63 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2gwg s ALA 110 Cb -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.39 2gwg s ALA 110 CO 0.24 0.00 0.00 0.00 0.00 0.00 0.00 175.76 176.00 2gwg n ALA 111 N 4.05 0.00 -3.27 0.00 0.00 0.39 -4.33 120.51 117.35 2gwg n ALA 111 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2gwg n ALA 111 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2gwg n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gwg s LEU 113 N 0.00 0.57 -0.67 0.00 1.43 -1.26 -0.13 118.68 118.62 2gwg s LEU 113 Ca 0.00 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.72 2gwg s LEU 113 Cb 0.00 1.31 -0.14 0.00 0.03 0.00 0.00 46.19 47.39 2gwg s LEU 113 CO 0.00 -0.17 2.80 -0.81 0.23 0.00 0.00 176.35 178.40 2gwg n PRO 114 N 2.67 2.32 -2.18 1.29 -0.04 -1.26 -4.93 135.00 132.88 2gwg n PRO 114 Ca -0.14 -1.35 -0.35 0.00 -0.04 0.00 0.00 63.50 61.62 2gwg n PRO 114 Cb 0.57 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 2gwg n PRO 114 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2gwg s GLN 115 N 2.07 3.27 -0.21 0.54 -0.21 -1.26 -4.59 119.66 119.27 2gwg s GLN 115 Ca 0.55 1.56 -0.15 0.00 0.02 0.00 0.00 55.36 57.34 2gwg s GLN 115 Cb 0.20 -2.00 0.06 0.00 1.00 0.00 0.00 33.01 32.27 2gwg s GLN 115 CO -0.02 -0.91 0.53 0.45 -2.12 0.00 0.00 175.29 173.22 2gwg s SER 116 N -1.94 -0.63 0.21 5.90 0.15 -1.26 -4.92 113.70 111.22 2gwg s SER 116 Ca 0.71 1.12 -0.32 0.00 0.70 0.00 0.00 55.95 58.16 2gwg s SER 116 Cb -0.23 1.06 -0.14 0.00 -1.71 0.00 0.00 66.02 65.00 2gwg s SER 116 CO 0.29 -0.20 1.31 -2.65 1.20 0.00 0.00 173.24 173.20 2gwg n PRO 117 N 3.57 1.69 -0.94 5.44 -0.02 -1.26 -1.19 135.00 142.29 2gwg n PRO 117 Ca -0.18 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2gwg n PRO 117 Cb 0.57 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2gwg n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gwg n GLY 118 N 2.11 0.82 3.54 -1.23 0.00 -1.26 -5.00 105.19 104.17 2gwg n GLY 118 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2gwg n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gwg s VAL 119 N -3.39 4.25 -0.01 1.61 1.01 -0.33 -5.05 120.40 118.48 2gwg s VAL 119 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2gwg s VAL 119 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.39 2gwg s VAL 119 CO 0.00 0.47 1.96 -0.67 0.00 0.00 0.00 175.10 176.86 2gwg n ASP 120 N 3.66 3.93 0.13 3.32 -0.08 -1.26 -4.69 116.55 121.57 2gwg n ASP 120 Ca -0.17 0.90 0.19 0.00 -1.51 0.00 0.00 54.79 54.20 2gwg n ASP 120 Cb 0.52 -1.48 0.67 0.00 2.34 0.00 0.00 41.12 43.17 2gwg n ASP 120 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gwg h PRO 121 N 10.35 0.00 0.00 -0.67 0.11 -1.93 -0.66 132.00 139.19 2gwg h PRO 121 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2gwg h PRO 121 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2gwg h PRO 121 CO 0.94 0.00 -0.00 1.57 -0.21 0.00 0.00 178.00 180.30 2gwg h LYS 122 N 0.00 0.00 0.00 1.05 2.10 -1.88 -0.85 116.57 116.99 2gwg h LYS 122 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2gwg h LYS 122 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2gwg h LYS 122 CO -0.00 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.70 2gwg n THR 123 N -3.50 0.45 0.87 0.07 -2.24 -0.26 -2.23 114.28 107.45 2gwg n THR 123 Ca -0.03 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 2gwg n THR 123 Cb 0.08 -0.87 0.16 0.00 -2.10 0.00 0.00 70.33 67.61 2gwg n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwg h ILE 125 N 0.00 0.81 -0.11 0.00 2.04 -1.63 -1.43 117.51 117.19 2gwg h ILE 125 Ca 0.00 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2gwg h ILE 125 Cb 0.57 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2gwg h ILE 125 CO 0.00 0.09 -0.29 -0.65 0.00 0.00 0.00 178.15 177.30 2gwg h PRO 126 N 0.50 -0.36 -0.78 2.37 0.11 -1.82 0.27 132.00 132.28 2gwg h PRO 126 Ca 0.32 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.42 2gwg h PRO 126 Cb 0.37 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 2gwg h PRO 126 CO -0.28 -0.24 0.34 1.49 -0.21 0.00 0.00 178.00 179.09 2gwg h GLU 127 N -0.38 1.14 0.34 1.05 4.57 -1.80 -1.33 114.58 118.17 2gwg h GLU 127 Ca 0.09 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2gwg h GLU 127 Cb 0.52 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2gwg h GLU 127 CO -0.33 0.91 -0.20 1.25 -1.18 0.00 0.00 179.01 179.46 2gwg h LEU 128 N 1.12 -0.51 -1.05 1.64 6.46 -0.37 -1.10 115.31 121.51 2gwg h LEU 128 Ca 0.26 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2gwg h LEU 128 Cb 0.17 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2gwg h LEU 128 CO -0.03 -0.33 0.50 -0.33 -0.62 0.00 0.00 178.44 177.64 2gwg h GLU 129 N -0.52 1.16 0.09 1.25 5.08 -0.37 -2.03 114.58 119.23 2gwg h GLU 129 Ca -0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2gwg h GLU 129 Cb 0.43 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2gwg h GLU 129 CO 0.04 0.82 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.59 2gwg h LYS 130 N 1.17 -0.14 -0.90 2.33 3.64 -0.97 0.18 116.57 121.88 2gwg h LYS 130 Ca 0.30 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2gwg h LYS 130 Cb -0.04 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2gwg h LYS 130 CO -0.06 -0.09 0.57 0.00 -2.27 0.00 0.00 179.45 177.60 2gwg h VAL 132 N 1.23 1.48 0.22 0.00 2.07 -1.22 0.35 116.25 120.38 2gwg h VAL 132 Ca 0.33 -2.12 -0.33 0.00 0.82 0.00 0.00 66.70 65.40 2gwg h VAL 132 Cb -0.09 2.75 0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2gwg h VAL 132 CO -0.07 0.60 -1.48 0.11 0.02 0.00 0.00 177.57 176.76 2gwg h LYS 133 N -0.26 0.46 0.04 1.57 1.57 -0.63 -3.14 116.57 116.18 2gwg h LYS 133 Ca -0.07 -0.78 -0.38 0.00 -1.87 0.00 0.00 60.65 57.54 2gwg h LYS 133 Cb 1.28 0.29 -0.05 0.00 0.08 0.00 0.00 32.23 33.83 2gwg h LYS 133 CO 0.10 1.37 -2.29 -1.91 -0.57 0.00 0.00 179.45 176.15 2gwg n GLU 134 N -3.65 0.68 0.07 3.15 2.13 0.11 -4.51 120.64 118.62 2gwg n GLU 134 Ca -0.16 0.20 0.12 0.00 0.66 0.00 0.00 57.16 57.98 2gwg n GLU 134 Cb 1.09 -1.59 0.13 0.00 0.27 0.00 0.00 31.44 31.34 2gwg n GLU 134 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2gwg h TYR 135 N -0.05 0.00 -0.26 4.31 0.05 -1.05 -3.48 116.97 116.49 2gwg h TYR 135 Ca -0.53 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.19 2gwg h TYR 135 Cb 1.92 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.64 2gwg h TYR 135 CO 0.04 0.00 -0.07 0.41 -1.05 0.00 0.00 178.16 177.49 2gwg n GLY 136 N 1.30 0.49 3.75 3.88 0.00 -0.30 -4.90 105.19 109.41 2gwg n GLY 136 Ca 0.03 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2gwg n GLY 136 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gwg s PHE 137 N -2.13 2.33 -0.97 1.61 0.40 -0.04 -4.72 117.98 114.45 2gwg s PHE 137 Ca 0.00 1.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.97 2gwg s PHE 137 Cb 0.00 -3.37 0.08 0.00 0.51 0.00 0.00 43.02 40.24 2gwg s PHE 137 CO 0.00 -2.18 0.80 1.33 0.70 0.00 0.00 175.22 175.87 2gwg n VAL 138 N -2.29 0.11 -3.81 -0.44 0.24 -0.66 -4.54 118.33 106.94 2gwg n VAL 138 Ca 0.12 -0.56 -0.03 0.00 -2.04 0.00 0.00 64.34 61.84 2gwg n VAL 138 Cb 0.51 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 2gwg n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gwg s ALA 139 N -0.71 -1.65 0.10 2.33 0.00 -1.26 -4.23 121.76 116.34 2gwg s ALA 139 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2gwg s ALA 139 Cb 0.07 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2gwg s ALA 139 CO 0.10 -1.05 -0.10 0.96 0.00 0.00 0.00 175.76 175.67 2gwg s ILE 140 N -2.68 0.93 -0.33 0.00 -4.36 -1.07 -0.47 121.20 113.22 2gwg s ILE 140 Ca 0.17 -1.70 -0.09 0.00 -0.26 0.00 0.00 60.65 58.77 2gwg s ILE 140 Cb -0.02 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.28 2gwg s ILE 140 CO 0.04 -0.61 0.16 0.20 0.24 0.00 0.00 174.94 174.96 2gwg s ASN 141 N -2.56 5.54 -0.29 4.36 0.01 0.81 -4.29 114.94 118.52 2gwg s ASN 141 Ca 0.07 -0.72 -0.11 0.00 -0.71 0.00 0.00 52.86 51.39 2gwg s ASN 141 Cb -0.02 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 2gwg s ASN 141 CO -0.00 -0.26 0.17 -0.22 -1.51 0.00 0.00 177.10 175.28 2gwg s LEU 142 N 1.57 4.02 -0.38 0.60 0.20 -1.26 -4.08 118.68 119.34 2gwg s LEU 142 Ca 0.03 -0.17 -0.24 0.00 0.69 0.00 0.00 54.13 54.44 2gwg s LEU 142 Cb -0.18 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2gwg s LEU 142 CO 0.06 -0.10 0.81 0.21 -0.29 0.00 0.00 176.35 177.04 2gwg s ASN 143 N 1.71 6.54 0.52 3.68 3.84 -1.21 -1.54 114.94 128.49 2gwg s ASN 143 Ca 0.06 0.29 0.31 0.00 0.21 0.00 0.00 52.86 53.73 2gwg s ASN 143 Cb -0.16 -2.40 1.30 0.00 -0.55 0.00 0.00 41.25 39.44 2gwg s ASN 143 CO 0.09 -0.79 1.97 1.55 -2.79 0.00 0.00 177.10 177.13 2gwg h PRO 144 N 8.59 0.00 -2.30 0.43 0.13 -1.96 -3.35 132.00 133.54 2gwg h PRO 144 Ca -0.25 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.30 2gwg h PRO 144 Cb 1.09 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.83 2gwg h PRO 144 CO 0.93 0.09 -0.96 -3.47 -0.23 0.00 0.00 178.00 174.35 2gwg n ASP 145 N -3.25 0.25 0.24 1.44 2.03 -1.26 -4.78 116.55 111.22 2gwg n ASP 145 Ca -0.00 -2.60 0.17 0.00 0.52 0.00 0.00 54.79 52.87 2gwg n ASP 145 Cb 0.32 -0.60 0.87 0.00 -0.72 0.00 0.00 41.12 40.99 2gwg n ASP 145 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2gwg h PRO 146 N 5.02 0.00 0.00 -0.67 0.13 -1.98 -1.15 132.00 133.35 2gwg h PRO 146 Ca 0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 2gwg h PRO 146 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2gwg h PRO 146 CO 0.45 0.00 -0.21 0.77 -0.23 0.00 0.00 178.00 178.79 2gwg h SER 147 N 0.00 0.00 -2.31 1.44 0.02 -1.95 -3.42 113.55 107.33 2gwg h SER 147 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gwg h SER 147 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2gwg h SER 147 CO 0.00 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2gwg n GLY 148 N -0.26 -0.40 3.64 -3.77 0.00 -0.43 -4.46 105.19 99.51 2gwg n GLY 148 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2gwg n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gwg n GLY 149 N -0.38 2.89 0.27 -0.02 0.00 -1.26 -4.84 105.19 101.85 2gwg n GLY 149 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2gwg n GLY 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2gwg h HIS 150 N 0.00 0.57 -0.61 1.61 -0.00 -1.89 -3.46 115.15 111.37 2gwg h HIS 150 Ca 0.00 -0.06 -0.26 0.00 -0.00 0.00 0.00 60.37 60.05 2gwg h HIS 150 Cb 0.00 -0.16 -0.10 0.00 -0.00 0.00 0.00 27.41 27.14 2gwg h HIS 150 CO 0.00 0.56 -0.24 0.91 -0.00 0.00 0.00 177.93 179.17 2gwg n TRP 151 N -4.27 0.00 1.90 2.45 7.02 -1.26 -4.81 117.44 118.47 2gwg n TRP 151 Ca 0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 2gwg n TRP 151 Cb 0.26 -2.72 0.68 0.00 -2.42 0.00 0.00 31.31 27.11 2gwg n TRP 151 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2gwg n THR 152 N -2.35 0.02 -3.70 -0.99 -2.24 -1.26 -4.81 114.28 98.94 2gwg n THR 152 Ca -0.13 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 2gwg n THR 152 Cb 0.56 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 2gwg n THR 152 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2gwg s SER 153 N -1.77 6.53 0.65 3.42 0.15 -1.26 -5.07 113.70 116.35 2gwg s SER 153 Ca 0.36 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 2gwg s SER 153 Cb 0.17 -2.11 -0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2gwg s SER 153 CO 0.29 0.19 1.20 -2.16 1.20 0.00 0.00 173.24 173.95 2gwg s PRO 154 N -2.00 2.64 0.81 5.44 0.04 -1.26 -4.98 135.00 135.69 2gwg s PRO 154 Ca 0.32 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 2gwg s PRO 154 Cb -0.13 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2gwg s PRO 154 CO 0.19 -1.45 1.20 -1.25 0.04 0.00 0.00 177.00 175.73 2gwg s PRO 155 N -3.64 1.63 0.39 0.56 0.04 -1.26 -4.85 135.00 127.87 2gwg s PRO 155 Ca 0.75 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.77 2gwg s PRO 155 Cb -0.29 -1.78 1.25 0.00 0.04 0.00 0.00 34.50 33.72 2gwg s PRO 155 CO 0.39 -2.22 1.67 -0.07 0.04 0.00 0.00 177.00 176.81 2gwg h LEU 156 N -0.92 0.00 -0.10 -3.56 3.38 -1.93 0.13 115.31 112.31 2gwg h LEU 156 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2gwg h LEU 156 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2gwg h LEU 156 CO 0.46 0.00 -0.26 0.35 0.09 0.00 0.00 178.44 179.09 2gwg n THR 157 N -2.35 0.00 -2.33 0.22 -2.24 -1.26 -4.86 114.28 101.45 2gwg n THR 157 Ca -0.02 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 2gwg n THR 157 Cb 0.14 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2gwg n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gwg s ASP 158 N -2.83 6.79 0.58 3.42 -1.08 0.46 -4.92 116.67 119.09 2gwg s ASP 158 Ca 0.17 2.36 0.29 0.00 -0.52 0.00 0.00 52.55 54.85 2gwg s ASP 158 Cb 0.19 -2.62 1.47 0.00 -1.46 0.00 0.00 42.92 40.50 2gwg s ASP 158 CO 0.59 -0.49 1.90 0.03 0.52 0.00 0.00 175.17 177.71 2gwg h ARG 159 N 3.07 0.00 -0.18 4.34 2.47 -1.91 -2.17 114.38 120.00 2gwg h ARG 159 Ca -0.48 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.29 2gwg h ARG 159 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2gwg h ARG 159 CO 0.64 0.00 0.18 0.97 0.56 0.00 0.00 179.97 182.32 2gwg h ILE 160 N 0.00 0.54 0.00 2.04 6.09 -1.93 -1.78 117.51 122.47 2gwg h ILE 160 Ca 0.25 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 2gwg h ILE 160 Cb 1.26 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.40 2gwg h ILE 160 CO -0.00 0.00 -0.76 -0.50 -3.07 0.00 0.00 178.15 173.81 2gwg h TRP 161 N 0.00 0.00 -0.93 2.19 4.06 -1.72 -3.40 115.95 116.15 2gwg h TRP 161 Ca 0.09 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.28 2gwg h TRP 161 Cb 0.45 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.48 2gwg h TRP 161 CO 0.00 0.00 0.43 1.88 -3.56 0.00 0.00 178.44 177.19 2gwg h TYR 162 N 0.00 0.71 -0.97 0.49 0.99 -1.47 -0.44 116.97 116.27 2gwg h TYR 162 Ca 0.00 0.04 0.18 0.00 2.00 0.00 0.00 58.73 60.95 2gwg h TYR 162 Cb 0.84 -0.17 -0.09 0.00 1.00 0.00 0.00 36.73 38.31 2gwg h TYR 162 CO 0.00 -0.08 0.61 -1.35 -0.00 0.00 0.00 178.16 177.34 2gwg h PRO 163 N 0.38 0.68 -0.08 4.88 0.11 -1.78 0.27 132.00 136.46 2gwg h PRO 163 Ca 0.61 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.53 2gwg h PRO 163 Cb 1.22 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.18 2gwg h PRO 163 CO -0.56 0.45 -0.52 0.82 -0.21 0.00 0.00 178.00 177.99 2gwg h ILE 164 N 0.70 1.38 -0.57 4.15 2.04 -1.40 -2.95 117.51 120.87 2gwg h ILE 164 Ca 0.53 -1.88 0.02 0.00 1.00 0.00 0.00 64.86 64.54 2gwg h ILE 164 Cb 0.91 2.30 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 2gwg h ILE 164 CO -0.30 0.56 0.38 1.88 0.00 0.00 0.00 178.15 180.66 2gwg h TYR 165 N 0.05 0.67 -0.16 1.37 0.05 -0.80 -1.90 116.97 116.25 2gwg h TYR 165 Ca -0.04 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2gwg h TYR 165 Cb 1.17 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2gwg h TYR 165 CO 0.12 0.40 0.09 0.93 -1.05 0.00 0.00 178.16 178.66 2gwg h GLU 166 N 0.71 0.22 -1.50 4.88 4.39 -0.51 -0.42 114.58 122.34 2gwg h GLU 166 Ca 0.22 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2gwg h GLU 166 Cb 0.01 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2gwg h GLU 166 CO -0.05 0.21 0.00 1.63 -1.16 0.00 0.00 179.01 179.64 2gwg n LYS 167 N -4.93 0.30 0.00 2.33 4.76 -0.72 -1.47 118.16 118.42 2gwg n LYS 167 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2gwg n LYS 167 Cb 0.06 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2gwg n LYS 167 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2gwg n VAL 169 N 0.78 0.00 0.00 -0.18 0.31 -0.17 -0.75 118.33 118.32 2gwg n VAL 169 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2gwg n VAL 169 Cb 0.14 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 2gwg n VAL 169 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2gwg h GLU 170 N 0.00 0.05 -0.01 5.55 4.81 -1.50 -3.08 114.58 120.40 2gwg h GLU 170 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2gwg h GLU 170 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2gwg h GLU 170 CO 0.00 0.27 -0.05 1.28 -0.73 0.00 0.00 179.01 179.79 2gwg n LEU 171 N -4.94 0.71 -3.44 1.64 4.77 0.07 -4.96 117.00 110.85 2gwg n LEU 171 Ca -0.07 -0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.54 2gwg n LEU 171 Cb 0.14 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2gwg n LEU 171 CO 0.34 0.12 0.02 -0.62 -1.33 0.00 0.00 177.39 175.92 2gwg n GLU 172 N -0.57 -3.84 -4.57 3.23 1.02 -1.17 -4.81 120.64 109.93 2gwg n GLU 172 Ca 0.19 0.76 -0.23 0.00 -0.02 0.00 0.00 57.16 57.86 2gwg n GLU 172 Cb 0.26 -5.49 -0.16 0.00 -0.02 0.00 0.00 31.44 26.03 2gwg n GLU 172 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2gwg s ILE 173 N -3.45 1.04 0.69 -3.67 -4.36 -1.26 -3.91 121.20 106.28 2gwg s ILE 173 Ca 0.25 -0.51 -0.06 0.00 -0.26 0.00 0.00 60.65 60.07 2gwg s ILE 173 Cb -0.05 -0.91 0.05 0.00 1.25 0.00 0.00 42.46 42.81 2gwg s ILE 173 CO 0.77 0.31 1.00 -2.16 0.24 0.00 0.00 174.94 175.09 2gwg s PRO 174 N 0.10 2.29 0.00 0.37 0.04 -1.26 -4.66 135.00 131.89 2gwg s PRO 174 Ca -0.03 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.78 2gwg s PRO 174 Cb -0.09 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2gwg s PRO 174 CO 0.01 -1.16 0.00 0.00 0.04 0.00 0.00 177.00 175.89 2gwg n ALA 175 N -2.87 0.00 -3.72 8.56 0.00 -0.83 -2.60 120.51 119.04 2gwg n ALA 175 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.25 2gwg n ALA 175 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.88 2gwg n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gwg s ILE 177 N 1.66 0.41 -0.04 0.00 -1.09 -0.23 -1.12 121.20 120.79 2gwg s ILE 177 Ca 0.00 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2gwg s ILE 177 Cb 0.00 -0.89 0.03 0.00 -1.58 0.00 0.00 42.46 40.03 2gwg s ILE 177 CO 0.00 -0.15 0.07 -2.28 -1.23 0.00 0.00 174.94 171.35 2gwg s HIS 178 N 1.92 -0.04 0.31 3.97 2.46 -0.59 -4.41 115.29 118.91 2gwg s HIS 178 Ca 0.00 0.26 0.07 0.00 0.47 0.00 0.00 55.06 55.86 2gwg s HIS 178 Cb -0.16 -0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.08 2gwg s HIS 178 CO -0.08 -0.12 0.25 0.14 -2.47 0.00 0.00 174.74 172.47 2gwg s VAL 179 N 1.08 3.77 0.03 0.89 -7.23 -1.26 -3.29 120.40 114.39 2gwg s VAL 179 Ca -0.09 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 2gwg s VAL 179 Cb -0.12 -3.23 -0.17 0.00 0.56 0.00 0.00 36.38 33.42 2gwg s VAL 179 CO -0.04 -0.23 1.30 0.28 -0.31 0.00 0.00 175.10 176.10 2gwg h SER 180 N 1.34 -0.87 0.01 4.85 0.02 -1.88 -3.47 113.55 113.55 2gwg h SER 180 Ca -0.46 0.02 -0.39 0.00 -0.84 0.00 0.00 61.79 60.12 2gwg h SER 180 Cb 1.25 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.95 2gwg h SER 180 CO 0.59 -0.52 -2.43 0.41 -1.14 0.00 0.00 176.83 173.74 2gwg n THR 190 N -5.47 1.52 0.32 -2.27 -1.04 -1.26 -4.78 114.28 101.30 2gwg n THR 190 Ca -0.13 -0.56 0.21 0.00 -2.04 0.00 0.00 64.05 61.52 2gwg n THR 190 Cb 0.41 -1.49 1.12 0.00 -1.82 0.00 0.00 70.33 68.55 2gwg n THR 190 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2gwg h GLY 191 N 1.69 0.00 -3.81 3.41 0.00 -2.08 -2.55 103.07 99.73 2gwg h GLY 191 Ca -0.57 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 2gwg h GLY 191 CO -0.10 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.44 2gwg n ALA 192 N -2.02 2.52 0.06 3.60 0.00 -1.26 -4.89 120.51 118.52 2gwg n ALA 192 Ca -0.03 -2.36 0.02 0.00 0.00 0.00 0.00 53.44 51.07 2gwg n ALA 192 Cb 0.11 -0.77 0.37 0.00 0.00 0.00 0.00 19.45 19.17 2gwg n ALA 192 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gwg h HIS 193 N 1.48 0.39 -0.40 0.00 -0.00 -1.84 -2.53 115.15 112.24 2gwg h HIS 193 Ca -0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.10 2gwg h HIS 193 Cb 1.65 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.92 2gwg h HIS 193 CO 0.26 0.41 0.18 0.10 -0.00 0.00 0.00 177.93 178.88 2gwg h TYR 194 N 0.37 0.55 -0.61 5.26 -0.00 -1.86 -1.25 116.97 119.42 2gwg h TYR 194 Ca 0.08 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.72 2gwg h TYR 194 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 36.81 2gwg h TYR 194 CO 0.01 0.42 0.08 -0.07 -0.00 0.00 0.00 178.16 178.59 2gwg h LEU 195 N 0.56 0.99 -0.45 0.10 3.38 -1.85 -2.51 115.31 115.52 2gwg h LEU 195 Ca 0.14 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2gwg h LEU 195 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2gwg h LEU 195 CO -0.02 1.01 -0.01 0.78 0.09 0.00 0.00 178.44 180.30 2gwg h ASN 196 N 0.93 0.79 -0.90 -0.43 -0.26 -1.41 -2.94 115.58 111.36 2gwg h ASN 196 Ca 0.18 -0.31 0.03 0.00 -0.56 0.00 0.00 56.30 55.64 2gwg h ASN 196 Cb 0.46 -0.21 -0.05 0.00 -1.06 0.00 0.00 38.32 37.45 2gwg h ASN 196 CO 0.02 0.91 0.59 0.00 -1.06 0.00 0.00 177.43 177.89 2gwg h ALA 197 N 0.91 1.42 0.04 -0.83 0.00 -1.11 -1.07 119.26 118.61 2gwg h ALA 197 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2gwg h ALA 197 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gwg h ALA 197 CO 0.02 0.50 -0.02 -0.44 0.00 0.00 0.00 179.25 179.31 2gwg h ASP 198 N 1.14 -0.04 -0.55 0.00 3.32 -1.28 -1.01 116.42 117.99 2gwg h ASP 198 Ca 0.35 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2gwg h ASP 198 Cb -0.00 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2gwg h ASP 198 CO -0.10 0.03 0.30 0.74 -1.72 0.00 0.00 179.24 178.48 2gwg h THR 199 N -0.11 1.19 -0.36 0.35 2.02 -1.33 -2.36 112.91 112.30 2gwg h THR 199 Ca -0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2gwg h THR 199 Cb 0.10 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2gwg h THR 199 CO 0.01 0.21 0.21 0.74 0.37 0.00 0.00 175.52 177.05 2gwg h THR 200 N 0.74 1.14 -0.78 3.16 2.02 -1.07 -2.69 112.91 115.43 2gwg h THR 200 Ca 0.19 -0.34 0.05 0.00 0.77 0.00 0.00 66.41 67.08 2gwg h THR 200 Cb 0.06 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 2gwg h THR 200 CO -0.03 0.14 0.48 0.00 0.37 0.00 0.00 175.52 176.48 2gwg h ALA 201 N 1.07 1.05 0.00 6.16 0.00 -1.02 -0.71 119.26 125.82 2gwg h ALA 201 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gwg h ALA 201 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2gwg h ALA 201 CO -0.02 0.24 0.00 0.34 0.00 0.00 0.00 179.25 179.80 2gwg n PHE 202 N -4.65 0.00 0.00 0.00 7.35 -0.90 -2.51 117.46 116.75 2gwg n PHE 202 Ca 0.10 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2gwg n PHE 202 Cb 0.14 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 39.89 2gwg n PHE 202 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2gwg n GLN 204 N 0.64 0.00 -0.11 -4.13 6.02 -0.27 -1.56 117.38 117.96 2gwg n GLN 204 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2gwg n GLN 204 Cb 0.09 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.39 2gwg n GLN 204 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gwg h VAL 206 N 0.74 1.23 -0.23 0.00 2.07 -1.58 -2.94 116.25 115.54 2gwg h VAL 206 Ca 0.09 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2gwg h VAL 206 Cb 0.83 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2gwg h VAL 206 CO 0.07 0.28 -0.04 0.00 0.02 0.00 0.00 177.57 177.90 2gwg h ALA 207 N 0.92 1.52 -3.00 1.67 0.00 -1.79 -3.45 119.26 115.13 2gwg h ALA 207 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gwg h ALA 207 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gwg h ALA 207 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2gwg n GLY 208 N -0.98 2.30 2.72 0.00 0.00 -0.52 -5.10 105.19 103.61 2gwg n GLY 208 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 2gwg n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gwg n ASP 209 N 0.00 -2.15 -0.25 1.61 2.03 -1.26 -4.95 116.55 111.58 2gwg n ASP 209 Ca 0.00 -3.30 -0.07 0.00 0.52 0.00 0.00 54.79 51.94 2gwg n ASP 209 Cb 0.00 1.70 0.05 0.00 -0.72 0.00 0.00 41.12 42.15 2gwg n ASP 209 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2gwg h LEU 210 N 2.73 1.08 0.00 -2.67 5.85 -1.91 -2.93 115.31 117.46 2gwg h LEU 210 Ca -0.16 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2gwg h LEU 210 Cb 1.15 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2gwg h LEU 210 CO 0.08 1.04 0.00 0.49 -0.34 0.00 0.00 178.44 179.71 2gwg n PHE 211 N -4.23 0.00 -0.02 1.25 3.72 -1.26 -1.87 117.46 115.05 2gwg n PHE 211 Ca 0.05 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.28 2gwg n PHE 211 Cb 0.27 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 2gwg n PHE 211 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2gwg h LYS 212 N 0.00 0.80 0.00 -1.08 3.64 -1.90 -2.47 116.57 115.56 2gwg h LYS 212 Ca 0.00 -0.65 -0.12 0.00 -1.27 0.00 0.00 60.65 58.61 2gwg h LYS 212 Cb 0.09 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2gwg h LYS 212 CO 0.00 1.26 -0.97 -0.44 -2.27 0.00 0.00 179.45 177.03 2gwg h ASP 213 N 0.54 0.00 -2.30 4.20 3.32 -1.55 -3.39 116.42 117.24 2gwg h ASP 213 Ca -0.05 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.41 2gwg h ASP 213 Cb 1.41 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.56 2gwg h ASP 213 CO 0.16 0.47 -0.83 0.49 -1.72 0.00 0.00 179.24 177.81 2gwg n PHE 214 N -3.00 1.42 0.03 4.55 3.72 -0.92 -4.97 117.46 118.29 2gwg n PHE 214 Ca -0.04 -3.83 0.14 0.00 -0.05 0.00 0.00 57.45 53.67 2gwg n PHE 214 Cb 0.76 -0.35 0.60 0.00 -0.94 0.00 0.00 39.48 39.54 2gwg n PHE 214 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2gwg h PRO 215 N 4.56 0.17 -0.01 -1.08 0.11 -1.66 -2.29 132.00 131.81 2gwg h PRO 215 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2gwg h PRO 215 Cb 0.79 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2gwg h PRO 215 CO 0.61 0.11 -0.36 0.39 -0.21 0.00 0.00 178.00 178.54 2gwg n GLU 216 N -4.45 0.81 -1.98 1.05 -0.58 -1.26 -4.88 120.64 109.35 2gwg n GLU 216 Ca 0.07 -0.54 -0.41 0.00 -0.42 0.00 0.00 57.16 55.85 2gwg n GLU 216 Cb 0.38 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 2gwg n GLU 216 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2gwg s LEU 217 N -2.56 4.38 -0.05 -4.62 2.96 -0.86 -4.95 118.68 112.97 2gwg s LEU 217 Ca 0.21 2.81 0.01 0.00 -0.22 0.00 0.00 54.13 56.94 2gwg s LEU 217 Cb 0.19 -3.65 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2gwg s LEU 217 CO 0.56 -0.70 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.29 2gwg s LYS 218 N -1.45 1.03 0.01 1.98 1.02 -1.26 -4.61 119.74 116.46 2gwg s LYS 218 Ca 0.53 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.41 2gwg s LYS 218 Cb -0.43 -1.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 2gwg s LYS 218 CO 0.53 -0.08 -0.12 -0.06 -0.92 0.00 0.00 175.35 174.71 2gwg s PHE 219 N 0.96 2.75 -0.18 3.18 0.08 0.33 -1.97 117.98 123.13 2gwg s PHE 219 Ca -0.10 -0.13 -0.00 0.00 0.12 0.00 0.00 56.93 56.82 2gwg s PHE 219 Cb -0.14 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2gwg s PHE 219 CO 0.00 0.30 -0.15 0.08 -0.10 0.00 0.00 175.22 175.35 2gwg s VAL 220 N -0.93 2.53 -0.28 -0.44 1.01 -0.27 -1.06 120.40 120.95 2gwg s VAL 220 Ca 0.15 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2gwg s VAL 220 Cb -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2gwg s VAL 220 CO 0.06 0.51 0.13 -0.63 0.00 0.00 0.00 175.10 175.16 2gwg s ILE 221 N 1.13 4.59 1.04 2.22 1.01 0.83 -1.07 121.20 130.96 2gwg s ILE 221 Ca 0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 2gwg s ILE 221 Cb -0.14 -3.25 0.21 0.00 0.01 0.00 0.00 42.46 39.29 2gwg s ILE 221 CO -0.06 0.20 1.16 -2.16 0.00 0.00 0.00 174.94 174.08 2gwg s PRO 222 N 1.64 0.04 -1.37 2.79 0.04 -1.26 -2.39 135.00 134.49 2gwg s PRO 222 Ca 0.06 0.05 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 2gwg s PRO 222 Cb -0.16 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.67 2gwg s PRO 222 CO 0.06 -2.89 1.04 0.72 0.04 0.00 0.00 177.00 175.97 2gwg n HIS 223 N -4.20 -2.50 -2.14 0.56 8.25 -1.26 -1.96 115.22 111.98 2gwg n HIS 223 Ca 0.10 0.96 -0.21 0.00 -0.26 0.00 0.00 57.72 58.31 2gwg n HIS 223 Cb 0.59 -4.71 -0.04 0.00 1.12 0.00 0.00 29.99 26.95 2gwg n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gwg n GLY 224 N -1.72 0.32 1.62 -1.41 0.00 -0.51 -1.97 105.19 101.53 2gwg n GLY 224 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2gwg n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gwg n GLY 225 N -0.83 0.51 7.00 -0.02 0.00 -0.83 -4.46 105.19 106.56 2gwg n GLY 225 Ca -0.23 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2gwg n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gwg n GLY 226 N -2.72 1.37 0.12 -0.02 0.00 -0.83 -1.74 105.19 101.36 2gwg n GLY 226 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2gwg n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwg n ALA 227 N 7.55 2.30 0.12 4.61 0.00 -1.26 -4.84 120.51 128.99 2gwg n ALA 227 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2gwg n ALA 227 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 2gwg n ALA 227 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gwg h VAL 228 N 0.46 0.40 -0.70 0.00 2.07 -1.62 -2.44 116.25 114.43 2gwg h VAL 228 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2gwg h VAL 228 Cb 0.29 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2gwg h VAL 228 CO 0.00 0.00 0.45 -0.65 0.02 0.00 0.00 177.57 177.39 2gwg h PRO 229 N -0.50 0.92 0.00 1.57 0.11 -1.81 -0.47 132.00 131.82 2gwg h PRO 229 Ca 0.03 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2gwg h PRO 229 Cb 0.52 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2gwg h PRO 229 CO -0.15 0.62 -0.22 -0.92 -0.21 0.00 0.00 178.00 177.12 2gwg h TYR 230 N 0.95 0.00 -0.44 0.65 3.20 -1.86 -2.68 116.97 116.79 2gwg h TYR 230 Ca 0.25 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.83 2gwg h TYR 230 Cb -0.09 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 37.97 2gwg h TYR 230 CO 0.00 0.22 -0.42 0.72 -1.64 0.00 0.00 178.16 177.04 2gwg n HIS 231 N -4.03 1.51 -0.32 -3.82 8.25 -0.63 -4.81 115.22 111.37 2gwg n HIS 231 Ca -0.02 -1.90 0.05 0.00 -0.26 0.00 0.00 57.72 55.58 2gwg n HIS 231 Cb 0.29 -0.43 0.20 0.00 1.12 0.00 0.00 29.99 31.17 2gwg n HIS 231 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 2gwg h TRP 232 N 1.51 0.98 -0.62 4.41 -0.00 -0.76 -1.41 115.95 120.05 2gwg h TRP 232 Ca 0.24 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 59.17 2gwg h TRP 232 Cb 1.35 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 30.18 2gwg h TRP 232 CO 0.91 0.39 0.40 0.78 -0.00 0.00 0.00 178.44 180.93 2gwg h GLY 233 N 0.88 0.88 1.00 2.65 0.00 -1.87 -0.52 103.07 106.09 2gwg h GLY 233 Ca 0.44 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2gwg h GLY 233 CO -0.26 0.29 0.46 -0.09 0.00 0.00 0.00 176.54 176.95 2gwg h ARG 234 N 0.82 0.91 -0.47 4.80 2.43 -1.66 0.52 114.38 121.72 2gwg h ARG 234 Ca 0.24 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 2gwg h ARG 234 Cb -0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.27 2gwg h ARG 234 CO -0.07 0.60 -0.23 0.74 -1.51 0.00 0.00 179.97 179.50 2gwg h PHE 235 N 0.94 1.12 -0.67 2.20 -1.00 -0.96 0.76 116.94 119.32 2gwg h PHE 235 Ca 0.26 -0.28 -0.07 0.00 2.81 0.00 0.00 57.97 60.69 2gwg h PHE 235 Cb -0.10 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.17 2gwg h PHE 235 CO -0.03 1.10 0.16 0.00 -1.61 0.00 0.00 178.31 177.93 2gwg h ARG 236 N 0.84 1.07 -0.32 1.51 3.08 -0.77 -0.72 114.38 119.07 2gwg h ARG 236 Ca 0.11 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 2gwg h ARG 236 Cb 0.81 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2gwg h ARG 236 CO 0.07 0.95 -0.29 0.78 -1.07 0.00 0.00 179.97 180.41 2gwg h GLY 237 N 1.07 0.72 1.55 0.04 0.00 -0.62 -2.32 103.07 103.50 2gwg h GLY 237 Ca 0.21 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 2gwg h GLY 237 CO 0.00 0.58 -0.41 1.41 0.00 0.00 0.00 176.54 178.12 2gwg h LEU 238 N 0.57 0.52 -1.06 3.11 3.38 -0.51 -1.75 115.31 119.58 2gwg h LEU 238 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2gwg h LEU 238 Cb 0.78 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2gwg h LEU 238 CO 0.06 0.88 0.34 0.00 0.09 0.00 0.00 178.44 179.81 2gwg h ALA 239 N 1.15 1.27 -0.05 1.53 0.00 -0.90 -2.67 119.26 119.58 2gwg h ALA 239 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2gwg h ALA 239 Cb 0.90 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2gwg h ALA 239 CO 0.08 0.57 0.01 1.96 0.00 0.00 0.00 179.25 181.86 2gwg h GLN 240 N 1.00 0.08 -1.25 0.00 4.20 -1.00 0.42 115.11 118.57 2gwg h GLN 240 Ca 0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2gwg h GLN 240 Cb 0.10 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2gwg h GLN 240 CO -0.03 0.30 0.00 0.39 -0.67 0.00 0.00 178.83 178.82 2gwg n GLU 241 N -4.92 0.00 -1.34 1.46 -0.58 -0.70 -4.46 120.64 110.11 2gwg n GLU 241 Ca -0.07 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.62 2gwg n GLU 241 Cb 0.15 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 2gwg n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gwg n LYS 243 N 0.72 0.26 -2.64 3.49 4.76 -0.98 -5.11 118.16 118.66 2gwg n LYS 243 Ca 0.00 -1.11 -0.27 0.00 -2.87 0.00 0.00 58.31 54.06 2gwg n LYS 243 Cb 0.00 0.44 -0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2gwg n LYS 243 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2gwg s LYS 244 N -0.02 3.53 1.10 1.97 -0.14 0.10 -5.07 119.74 121.22 2gwg s LYS 244 Ca 0.03 0.19 -0.14 0.00 -1.36 0.00 0.00 55.97 54.69 2gwg s LYS 244 Cb 0.10 -2.38 0.24 0.00 -1.68 0.00 0.00 37.83 34.12 2gwg s LYS 244 CO -0.03 -0.21 1.07 -2.14 -0.76 0.00 0.00 175.35 173.28 2gwg s PRO 245 N -4.74 -0.42 0.53 -1.68 0.02 -1.26 -4.63 135.00 122.82 2gwg s PRO 245 Ca 0.47 0.42 -0.22 0.00 0.02 0.00 0.00 61.00 61.69 2gwg s PRO 245 Cb -0.10 -1.65 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 2gwg s PRO 245 CO 0.45 -3.28 1.37 -0.51 -0.33 0.00 0.00 177.00 174.69 2gwg s LEU 246 N -6.80 3.89 0.32 -5.54 1.43 -1.26 -4.63 118.68 106.10 2gwg s LEU 246 Ca 0.67 2.79 0.06 0.00 -1.03 0.00 0.00 54.13 56.62 2gwg s LEU 246 Cb -0.18 -4.22 0.72 0.00 0.03 0.00 0.00 46.19 42.54 2gwg s LEU 246 CO 0.59 -1.50 1.84 -0.07 0.23 0.00 0.00 176.35 177.43 2gwg h LEU 247 N 1.60 0.77 -1.33 1.79 3.38 -1.94 0.16 115.31 119.74 2gwg h LEU 247 Ca -0.51 0.05 0.19 0.00 0.09 0.00 0.00 57.88 57.71 2gwg h LEU 247 Cb 1.29 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 2gwg h LEU 247 CO 0.58 0.37 0.60 -0.33 0.09 0.00 0.00 178.44 179.75 2gwg h GLU 248 N 0.81 0.54 0.03 1.13 3.07 -1.96 -0.45 114.58 117.74 2gwg h GLU 248 Ca 0.49 -0.03 -0.37 0.00 -0.50 0.00 0.00 59.36 58.95 2gwg h GLU 248 Cb 0.69 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.43 2gwg h GLU 248 CO -0.26 0.35 -2.28 -0.25 -1.40 0.00 0.00 179.01 175.17 2gwg n ASP 249 N -4.59 1.55 -0.16 1.42 8.00 -0.39 -3.58 116.55 118.81 2gwg n ASP 249 Ca 0.20 0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 2gwg n ASP 249 Cb 0.64 -0.23 0.08 0.00 -0.02 0.00 0.00 41.12 41.58 2gwg n ASP 249 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2gwg h HIS 250 N 0.02 1.03 0.00 1.24 2.76 -0.45 -3.42 115.15 116.32 2gwg h HIS 250 Ca -0.51 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.48 2gwg h HIS 250 Cb 2.01 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.70 2gwg h HIS 250 CO 0.03 0.95 -0.19 1.33 -1.30 0.00 0.00 177.93 178.74 2gwg n VAL 251 N -4.17 0.00 0.92 5.26 0.24 -0.27 -4.87 118.33 115.44 2gwg n VAL 251 Ca 0.02 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.36 2gwg n VAL 251 Cb 0.35 -0.06 0.21 0.00 -1.47 0.00 0.00 33.84 32.87 2gwg n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2gwg n LEU 252 N -0.57 0.00 -0.46 1.34 4.77 -0.65 -0.48 117.00 120.95 2gwg n LEU 252 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2gwg n LEU 252 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2gwg n LEU 252 CO 0.00 0.00 0.30 0.59 -1.33 0.00 0.00 177.39 176.95 2gwg n ASN 253 N -0.74 1.91 0.00 -1.43 3.02 -1.26 -4.52 115.26 112.25 2gwg n ASN 253 Ca 0.05 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2gwg n ASN 253 Cb 0.02 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2gwg n ASN 253 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2gwg n ASN 254 N 0.00 2.59 -4.44 6.41 3.02 0.18 -4.97 115.26 118.05 2gwg n ASN 254 Ca 0.08 -0.02 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 2gwg n ASN 254 Cb 0.42 0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 40.02 2gwg n ASN 254 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gwg s ILE 255 N -1.08 3.23 0.12 2.41 1.01 0.37 -0.51 121.20 126.76 2gwg s ILE 255 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2gwg s ILE 255 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2gwg s ILE 255 CO 0.00 0.55 -0.14 -0.36 0.00 0.00 0.00 174.94 174.99 2gwg s PHE 256 N -0.13 1.38 0.02 3.97 0.08 -0.23 -4.66 117.98 118.42 2gwg s PHE 256 Ca -0.00 -0.57 0.08 0.00 0.12 0.00 0.00 56.93 56.56 2gwg s PHE 256 Cb -0.13 -0.72 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2gwg s PHE 256 CO 0.03 0.14 -0.25 -0.06 -0.10 0.00 0.00 175.22 174.98 2gwg s PHE 257 N -2.22 2.24 0.54 0.36 2.99 0.34 -0.12 117.98 122.11 2gwg s PHE 257 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 56.93 56.61 2gwg s PHE 257 Cb -0.04 -1.38 0.03 0.00 0.00 0.00 0.00 43.02 41.62 2gwg s PHE 257 CO 0.03 0.06 0.78 0.16 -0.00 0.00 0.00 175.22 176.25 2gwg s ASP 258 N -0.99 5.38 -0.33 1.36 1.47 -1.00 -1.18 116.67 121.38 2gwg s ASP 258 Ca 0.11 0.13 0.03 0.00 1.18 0.00 0.00 52.55 53.99 2gwg s ASP 258 Cb -0.10 -1.08 0.49 0.00 -0.34 0.00 0.00 42.92 41.89 2gwg s ASP 258 CO 0.01 -1.08 1.67 0.35 0.68 0.00 0.00 175.17 176.80 2gwg n THR 259 N -2.34 2.60 -1.56 2.11 -2.24 -0.42 -1.43 114.28 111.00 2gwg n THR 259 Ca 0.06 -1.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.04 2gwg n THR 259 Cb 0.59 -0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2gwg n THR 259 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwg s VAL 261 N 2.87 1.67 -0.08 0.00 1.01 -1.26 -4.18 120.40 120.43 2gwg s VAL 261 Ca 0.55 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2gwg s VAL 261 Cb 0.15 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.78 2gwg s VAL 261 CO -0.07 0.05 1.88 -1.22 0.00 0.00 0.00 175.10 175.74 2gwg n TYR 262 N 4.65 0.39 -3.56 5.22 4.01 -1.26 -4.71 117.16 121.90 2gwg n TYR 262 Ca -0.14 -1.17 -0.11 0.00 -0.16 0.00 0.00 57.90 56.32 2gwg n TYR 262 Cb 0.45 -0.58 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 2gwg n TYR 262 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2gwg s HIS 263 N -0.46 -0.40 0.23 -0.72 -3.43 -1.26 -4.84 115.29 104.40 2gwg s HIS 263 Ca 0.08 0.63 -0.08 0.00 -0.80 0.00 0.00 55.06 54.89 2gwg s HIS 263 Cb 0.06 0.46 0.22 0.00 -1.43 0.00 0.00 32.58 31.89 2gwg s HIS 263 CO 0.00 -0.41 1.89 0.37 -2.00 0.00 0.00 174.74 174.59 2gwg h GLN 264 N 2.53 1.06 -0.68 -0.38 5.75 -1.96 -2.53 115.11 118.90 2gwg h GLN 264 Ca -0.20 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2gwg h GLN 264 Cb 1.17 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 2gwg h GLN 264 CO 0.32 0.70 0.37 -1.35 -2.65 0.00 0.00 178.83 176.22 2gwg h PRO 265 N 1.09 0.94 -0.36 -2.39 0.11 -1.98 0.52 132.00 129.93 2gwg h PRO 265 Ca 0.32 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 2gwg h PRO 265 Cb -0.06 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 2gwg h PRO 265 CO -0.09 0.69 -0.13 0.78 -0.21 0.00 0.00 178.00 179.04 2gwg h GLY 266 N 1.00 0.78 0.99 -0.55 0.00 -1.88 -1.62 103.07 101.80 2gwg h GLY 266 Ca 0.24 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2gwg h GLY 266 CO -0.04 0.62 0.23 -2.22 0.00 0.00 0.00 176.54 175.13 2gwg h ILE 267 N 0.51 1.22 -0.83 2.60 1.08 -1.06 -1.09 117.51 119.94 2gwg h ILE 267 Ca 0.08 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.87 2gwg h ILE 267 Cb 0.66 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2gwg h ILE 267 CO 0.04 0.26 0.53 0.44 -0.69 0.00 0.00 178.15 178.74 2gwg h ASP 268 N 0.78 0.96 -0.27 1.72 3.32 -0.75 -0.32 116.42 121.86 2gwg h ASP 268 Ca 0.19 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 2gwg h ASP 268 Cb 0.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2gwg h ASP 268 CO -0.02 0.71 0.01 0.25 -1.72 0.00 0.00 179.24 178.48 2gwg h LEU 269 N 1.13 0.45 -0.60 1.55 5.85 -0.86 -1.32 115.31 121.52 2gwg h LEU 269 Ca 0.30 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2gwg h LEU 269 Cb -0.10 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 2gwg h LEU 269 CO -0.06 0.64 0.20 0.25 -0.34 0.00 0.00 178.44 179.12 2gwg h LEU 270 N 0.25 0.17 0.00 2.25 5.85 -0.64 0.37 115.31 123.56 2gwg h LEU 270 Ca 0.08 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2gwg h LEU 270 Cb 0.40 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2gwg h LEU 270 CO 0.01 0.10 0.00 0.59 -0.34 0.00 0.00 178.44 178.80 2gwg n ASN 271 N -5.03 0.00 -0.07 1.25 3.02 -0.18 -1.47 115.26 112.78 2gwg n ASN 271 Ca 0.08 -0.78 -0.15 0.00 -0.03 0.00 0.00 54.58 53.70 2gwg n ASN 271 Cb 0.28 -0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 2gwg n ASN 271 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2gwg n THR 272 N -1.06 1.56 0.15 3.41 -1.04 0.05 -4.67 114.28 112.67 2gwg n THR 272 Ca 0.21 -0.70 0.05 0.00 -2.04 0.00 0.00 64.05 61.57 2gwg n THR 272 Cb 0.13 -1.21 -0.07 0.00 -1.82 0.00 0.00 70.33 67.36 2gwg n THR 272 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2gwg n VAL 273 N -3.16 0.00 -4.17 12.58 0.24 -0.79 -4.97 118.33 118.06 2gwg n VAL 273 Ca -0.35 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.36 2gwg n VAL 273 Cb 1.05 0.50 -0.12 0.00 -1.47 0.00 0.00 33.84 33.81 2gwg n VAL 273 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2gwg s ILE 274 N -2.47 4.17 0.51 1.34 -1.09 -0.54 -5.08 121.20 118.04 2gwg s ILE 274 Ca -0.01 -0.25 -0.22 0.00 -2.23 0.00 0.00 60.65 57.94 2gwg s ILE 274 Cb 0.07 -2.86 -0.07 0.00 -1.58 0.00 0.00 42.46 38.01 2gwg s ILE 274 CO 0.42 0.46 1.05 -2.65 -1.23 0.00 0.00 174.94 172.99 2gwg n PRO 275 N 3.81 1.26 -0.22 2.79 -0.02 -1.26 -4.63 135.00 136.73 2gwg n PRO 275 Ca -0.17 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2gwg n PRO 275 Cb 0.52 -2.18 0.34 0.00 -0.02 0.00 0.00 33.50 32.16 2gwg n PRO 275 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gwg h VAL 276 N 1.14 0.99 -0.08 -1.45 2.07 -1.95 -1.13 116.25 115.84 2gwg h VAL 276 Ca -0.47 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2gwg h VAL 276 Cb 1.34 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2gwg h VAL 276 CO 0.55 0.14 0.14 0.44 0.02 0.00 0.00 177.57 178.86 2gwg h ASP 277 N 0.78 0.00 -0.56 0.57 3.32 -1.97 -1.85 116.42 116.70 2gwg h ASP 277 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2gwg h ASP 277 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2gwg h ASP 277 CO -0.13 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.98 2gwg n ASN 278 N -3.48 3.65 -4.34 6.45 3.02 -0.43 -4.91 115.26 115.21 2gwg n ASN 278 Ca -0.01 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.20 2gwg n ASN 278 Cb 0.23 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 2gwg n ASN 278 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gwg s VAL 279 N -1.26 3.42 -0.08 2.41 1.01 -0.70 -0.51 120.40 124.69 2gwg s VAL 279 Ca 0.44 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2gwg s VAL 279 Cb 0.24 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2gwg s VAL 279 CO 0.32 0.44 -0.24 -0.76 0.00 0.00 0.00 175.10 174.87 2gwg s LEU 280 N 1.20 2.13 0.37 3.92 1.02 -0.32 -4.43 118.68 122.57 2gwg s LEU 280 Ca 0.02 -0.52 -0.28 0.00 0.02 0.00 0.00 54.13 53.38 2gwg s LEU 280 Cb -0.14 -1.41 -0.10 0.00 0.02 0.00 0.00 46.19 44.55 2gwg s LEU 280 CO -0.01 0.20 1.41 0.12 0.02 0.00 0.00 176.35 178.09 2gwg s PHE 281 N 0.09 2.73 -0.08 0.29 5.36 -0.12 -1.30 117.98 124.96 2gwg s PHE 281 Ca -0.11 1.27 -0.30 0.00 -0.96 0.00 0.00 56.93 56.84 2gwg s PHE 281 Cb -0.16 -3.88 0.11 0.00 -0.34 0.00 0.00 43.02 38.75 2gwg s PHE 281 CO 0.06 -2.57 0.93 0.00 -1.46 0.00 0.00 175.22 172.18 2gwg s ALA 282 N -1.15 -1.87 0.00 11.12 0.00 -1.26 -2.32 121.76 126.28 2gwg s ALA 282 Ca 0.53 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2gwg s ALA 282 Cb -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2gwg s ALA 282 CO 0.58 -0.51 0.00 -1.13 0.00 0.00 0.00 175.76 174.70 2gwg n SER 283 N 0.23 0.94 -2.16 0.00 3.41 -1.26 -3.77 113.62 111.01 2gwg n SER 283 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2gwg n SER 283 Cb 0.60 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2gwg n SER 283 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2gwg n GLU 284 N -0.46 -2.79 -1.70 4.33 2.13 -0.39 -4.90 120.64 116.86 2gwg n GLU 284 Ca 0.00 2.02 0.00 0.00 0.66 0.00 0.00 57.16 59.84 2gwg n GLU 284 Cb 0.03 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.01 2gwg n GLU 284 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2gwg n ILE 286 N 1.91 0.00 0.00 6.31 5.41 -1.26 -4.61 119.36 127.12 2gwg n ILE 286 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2gwg n ILE 286 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2gwg n ILE 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gwg n GLY 287 N -0.67 2.42 0.18 7.39 0.00 -1.26 -4.75 105.19 108.51 2gwg n GLY 287 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2gwg n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gwg h ALA 288 N 1.00 -0.39 -3.15 4.61 0.00 -1.99 -3.41 119.26 115.94 2gwg h ALA 288 Ca 0.00 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.08 2gwg h ALA 288 Cb 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 17.79 17.65 2gwg h ALA 288 CO 0.00 -0.63 -0.63 0.08 0.00 0.00 0.00 179.25 178.07 2gwg s VAL 289 N -5.38 3.69 -0.49 0.00 1.01 -1.26 -4.94 120.40 113.03 2gwg s VAL 289 Ca -0.15 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 60.88 2gwg s VAL 289 Cb 0.03 -3.02 0.17 0.00 0.00 0.00 0.00 36.38 33.57 2gwg s VAL 289 CO 0.61 -0.06 1.14 0.54 0.00 0.00 0.00 175.10 177.33 2gwg n ARG 290 N 4.80 2.91 -2.57 2.72 1.74 -1.26 -4.49 116.66 120.50 2gwg n ARG 290 Ca -0.13 -1.82 -0.23 0.00 -0.77 0.00 0.00 57.85 54.89 2gwg n ARG 290 Cb 0.46 -1.16 0.10 0.00 -1.02 0.00 0.00 32.46 30.84 2gwg n ARG 290 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gwg s GLY 291 N -1.04 1.77 -0.11 -0.13 0.00 -1.26 -4.96 107.32 101.60 2gwg s GLY 291 Ca 0.13 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.17 2gwg s GLY 291 CO 0.08 -1.12 0.06 -0.42 0.00 0.00 0.00 173.10 171.70 2gwg s ILE 292 N -3.10 4.77 -0.41 0.90 1.01 -1.26 -2.15 121.20 120.96 2gwg s ILE 292 Ca 0.65 -0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.94 2gwg s ILE 292 Cb -0.06 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.38 2gwg s ILE 292 CO 0.44 0.60 1.16 -0.62 0.00 0.00 0.00 174.94 176.52 2gwg s ASP 293 N -0.82 6.70 0.65 3.58 -1.08 0.39 -4.88 116.67 121.21 2gwg s ASP 293 Ca 0.13 0.75 0.38 0.00 -0.52 0.00 0.00 52.55 53.28 2gwg s ASP 293 Cb -0.12 -2.55 2.08 0.00 -1.46 0.00 0.00 42.92 40.88 2gwg s ASP 293 CO 0.03 -1.15 2.22 1.55 0.52 0.00 0.00 175.17 178.35 2gwg h PRO 294 N 9.05 0.00 0.00 4.34 0.13 -1.96 0.44 132.00 143.99 2gwg h PRO 294 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2gwg h PRO 294 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2gwg h PRO 294 CO 1.09 0.00 -0.20 0.54 -0.23 0.00 0.00 178.00 179.19 2gwg n ARG 295 N -3.23 0.05 0.00 0.86 1.74 -1.26 -4.26 116.66 110.56 2gwg n ARG 295 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2gwg n ARG 295 Cb 0.18 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 2gwg n ARG 295 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2gwg n THR 296 N -1.63 0.00 -0.65 0.55 -2.24 -0.38 -5.02 114.28 104.91 2gwg n THR 296 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2gwg n THR 296 Cb 0.36 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2gwg n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gwg n GLY 297 N 1.99 0.78 3.64 3.38 0.00 0.14 -5.04 105.19 110.08 2gwg n GLY 297 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2gwg n GLY 297 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gwg s PHE 298 N -2.89 2.64 0.31 1.61 0.08 -1.25 -4.86 117.98 113.62 2gwg s PHE 298 Ca 0.00 -0.28 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 2gwg s PHE 298 Cb 0.00 -1.27 -0.10 0.00 -0.57 0.00 0.00 43.02 41.08 2gwg s PHE 298 CO 0.00 0.57 1.17 0.71 -0.10 0.00 0.00 175.22 177.57 2gwg s TYR 299 N -2.38 3.37 0.25 0.36 1.51 -1.26 -0.46 117.35 118.74 2gwg s TYR 299 Ca 0.33 1.60 -0.03 0.00 -1.01 0.00 0.00 57.07 57.95 2gwg s TYR 299 Cb -0.05 -3.42 0.42 0.00 -0.11 0.00 0.00 41.96 38.80 2gwg s TYR 299 CO 0.20 -1.02 1.82 1.88 -1.11 0.00 0.00 175.55 177.31 2gwg h TYR 300 N 3.56 0.90 -0.23 2.71 0.05 -1.77 -2.45 116.97 119.74 2gwg h TYR 300 Ca -0.48 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.33 2gwg h TYR 300 Cb 1.22 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.68 2gwg h TYR 300 CO 0.57 0.37 0.00 -0.40 -1.05 0.00 0.00 178.16 177.66 2gwg n ASP 301 N -4.72 1.44 -3.79 3.88 5.68 -1.26 -4.47 116.55 113.30 2gwg n ASP 301 Ca 0.14 -2.04 -0.42 0.00 -0.50 0.00 0.00 54.79 51.97 2gwg n ASP 301 Cb 0.28 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 2gwg n ASP 301 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2gwg n ASP 302 N 0.20 5.10 0.29 -1.12 -0.08 -0.92 -4.78 116.55 115.24 2gwg n ASP 302 Ca 0.08 -3.04 0.15 0.00 -1.51 0.00 0.00 54.79 50.47 2gwg n ASP 302 Cb 0.25 -1.51 0.88 0.00 2.34 0.00 0.00 41.12 43.07 2gwg n ASP 302 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2gwg h THR 303 N 3.70 0.47 -0.63 5.18 1.35 -1.86 -2.52 112.91 118.60 2gwg h THR 303 Ca 0.46 -0.21 0.05 0.00 -0.55 0.00 0.00 66.41 66.16 2gwg h THR 303 Cb 0.60 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.12 2gwg h THR 303 CO 1.68 0.04 0.42 0.50 -0.25 0.00 0.00 175.52 177.91 2gwg h LYS 304 N 0.00 0.65 -0.83 4.72 3.64 -1.90 -1.32 116.57 121.53 2gwg h LYS 304 Ca -0.00 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2gwg h LYS 304 Cb 0.14 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2gwg h LYS 304 CO 0.01 0.43 0.55 0.00 -2.27 0.00 0.00 179.45 178.16 2gwg h ARG 305 N 0.67 0.91 -0.18 1.90 3.08 -1.83 -0.06 114.38 118.88 2gwg h ARG 305 Ca 0.27 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 2gwg h ARG 305 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2gwg h ARG 305 CO -0.08 0.60 -0.52 1.88 -1.07 0.00 0.00 179.97 180.78 2gwg h TYR 306 N 0.94 0.63 -0.19 3.04 0.05 -1.41 -0.56 116.97 119.46 2gwg h TYR 306 Ca 0.35 -0.21 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 2gwg h TYR 306 Cb 0.19 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 2gwg h TYR 306 CO -0.00 0.92 -0.19 0.82 -1.05 0.00 0.00 178.16 178.66 2gwg h ILE 307 N 0.39 1.33 -0.85 -2.88 1.08 -1.18 -2.42 117.51 112.99 2gwg h ILE 307 Ca 0.01 -1.35 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 2gwg h ILE 307 Cb 1.04 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 36.53 2gwg h ILE 307 CO 0.10 0.41 0.45 -0.33 -0.69 0.00 0.00 178.15 178.09 2gwg h GLU 308 N 0.14 1.20 0.00 2.37 4.39 -0.95 -2.47 114.58 119.26 2gwg h GLU 308 Ca 0.03 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2gwg h GLU 308 Cb 0.73 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2gwg h GLU 308 CO 0.05 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 178.79 2gwg n ALA 309 N -2.40 2.25 -1.73 3.43 0.00 -0.23 -4.88 120.51 116.95 2gwg n ALA 309 Ca 0.09 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2gwg n ALA 309 Cb 0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2gwg n ALA 309 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gwg n SER 310 N -1.42 3.84 -0.81 0.00 2.88 -0.91 -4.88 113.62 112.32 2gwg n SER 310 Ca 0.09 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.83 2gwg n SER 310 Cb 0.27 -1.58 0.17 0.00 -0.75 0.00 0.00 64.21 62.32 2gwg n SER 310 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2gwg n THR 311 N 2.63 0.76 -0.11 2.46 -2.24 -1.26 -4.42 114.28 112.10 2gwg n THR 311 Ca 0.11 -0.88 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 2gwg n THR 311 Cb 0.36 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 2gwg n THR 311 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2gwg n ILE 312 N 0.88 1.56 -2.82 2.28 5.41 -1.26 -4.96 119.36 120.45 2gwg n ILE 312 Ca 0.14 -0.45 -0.38 0.00 1.00 0.00 0.00 62.75 63.06 2gwg n ILE 312 Cb 0.46 -1.71 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 2gwg n ILE 312 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2gwg s LEU 313 N -7.11 4.43 0.48 1.39 1.43 -1.26 -5.07 118.68 112.97 2gwg s LEU 313 Ca -0.34 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 2gwg s LEU 313 Cb 0.10 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 2gwg s LEU 313 CO 0.59 0.02 0.75 0.42 0.23 0.00 0.00 176.35 178.35 2gwg s THR 314 N -1.47 4.28 0.29 5.49 -4.23 -1.26 -4.87 115.64 113.87 2gwg s THR 314 Ca 0.46 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 2gwg s THR 314 Cb -0.20 -3.62 0.29 0.00 1.34 0.00 0.00 72.50 70.30 2gwg s THR 314 CO 0.26 -0.53 1.76 -0.65 -0.54 0.00 0.00 174.62 174.91 2gwg h PRO 315 N 0.24 0.64 -0.35 3.99 0.11 -1.98 -0.44 132.00 134.23 2gwg h PRO 315 Ca -0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2gwg h PRO 315 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2gwg h PRO 315 CO 0.60 0.43 -0.12 0.93 -0.21 0.00 0.00 178.00 179.63 2gwg h GLU 316 N 0.66 0.69 -0.41 1.05 3.07 -1.99 -2.53 114.58 115.12 2gwg h GLU 316 Ca 0.56 -0.28 -0.06 0.00 -0.50 0.00 0.00 59.36 59.08 2gwg h GLU 316 Cb 0.91 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 2gwg h GLU 316 CO -0.41 0.87 0.01 0.93 -1.40 0.00 0.00 179.01 179.01 2gwg h GLU 317 N 0.47 0.66 -0.59 2.33 5.08 -1.62 -1.41 114.58 119.50 2gwg h GLU 317 Ca 0.08 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2gwg h GLU 317 Cb 0.64 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2gwg h GLU 317 CO 0.04 0.67 0.15 0.87 -1.00 0.00 0.00 179.01 179.74 2gwg h LYS 318 N 0.63 0.94 0.00 2.33 1.57 -1.02 -1.68 116.57 119.34 2gwg h LYS 318 Ca 0.13 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2gwg h LYS 318 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2gwg h LYS 318 CO 0.01 0.87 -0.31 0.37 -0.57 0.00 0.00 179.45 179.82 2gwg h GLN 319 N 0.85 0.00 -0.48 3.15 5.75 -1.01 0.11 115.11 123.49 2gwg h GLN 319 Ca 0.19 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.58 2gwg h GLN 319 Cb 0.34 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2gwg h GLN 319 CO 0.00 0.31 -0.12 0.37 -2.65 0.00 0.00 178.83 176.75 2gwg h GLN 320 N 0.00 0.92 -0.12 1.69 4.15 -0.65 -1.45 115.11 119.64 2gwg h GLN 320 Ca -0.00 -0.35 -0.14 0.00 0.77 0.00 0.00 58.65 58.93 2gwg h GLN 320 Cb 0.57 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2gwg h GLN 320 CO 0.04 1.01 -0.53 0.82 -1.93 0.00 0.00 178.83 178.24 2gwg h ILE 321 N 0.77 1.35 -0.05 2.39 2.04 -0.58 0.13 117.51 123.55 2gwg h ILE 321 Ca 0.12 -1.79 -0.16 0.00 1.00 0.00 0.00 64.86 64.02 2gwg h ILE 321 Cb 0.67 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2gwg h ILE 321 CO 0.05 0.54 -0.68 1.88 0.00 0.00 0.00 178.15 179.93 2gwg h TYR 322 N 0.26 0.32 0.00 1.37 0.05 -0.77 -0.28 116.97 117.92 2gwg h TYR 322 Ca 0.01 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2gwg h TYR 322 Cb 1.02 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2gwg h TYR 322 CO 0.03 0.85 0.00 -1.91 -1.05 0.00 0.00 178.16 176.07 2gwg n GLU 323 N -3.81 0.00 -0.11 4.88 2.13 -0.57 -0.48 120.64 122.68 2gwg n GLU 323 Ca -0.03 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.74 2gwg n GLU 323 Cb 0.67 -0.24 0.01 0.00 0.27 0.00 0.00 31.44 32.15 2gwg n GLU 323 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2gwg h GLY 324 N 0.00 0.11 1.07 8.31 0.00 -1.26 -1.74 103.07 109.56 2gwg h GLY 324 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 2gwg h GLY 324 CO 0.00 -0.19 -0.12 3.43 0.00 0.00 0.00 176.54 179.67 2gwg h ASN 325 N -0.11 0.97 -0.94 0.19 2.35 -1.05 -2.71 115.58 114.28 2gwg h ASN 325 Ca 0.19 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2gwg h ASN 325 Cb 0.40 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2gwg h ASN 325 CO -0.45 1.11 0.56 0.00 -1.65 0.00 0.00 177.43 176.99 2gwg h ALA 326 N 0.90 1.22 0.00 -0.83 0.00 -1.73 0.18 119.26 119.01 2gwg h ALA 326 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gwg h ALA 326 Cb 0.68 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gwg h ALA 326 CO 0.05 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.75 2gwg h ARG 327 N 1.29 0.00 0.17 0.00 3.08 -1.21 0.26 114.38 117.97 2gwg h ARG 327 Ca 0.34 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.10 2gwg h ARG 327 Cb -0.05 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.02 2gwg h ARG 327 CO -0.06 0.21 -1.36 -0.09 -1.07 0.00 0.00 179.97 177.60 2gwg h ARG 328 N 0.00 0.36 0.00 0.04 2.43 -0.98 -3.35 114.38 112.89 2gwg h ARG 328 Ca -0.00 -0.62 -0.10 0.00 -0.81 0.00 0.00 59.98 58.44 2gwg h ARG 328 Cb 0.64 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2gwg h ARG 328 CO 0.03 1.30 -0.50 0.28 -1.51 0.00 0.00 179.97 179.57 2gwg h VAL 329 N -0.12 0.98 -3.08 0.20 2.07 -0.54 -3.36 116.25 112.40 2gwg h VAL 329 Ca -0.26 -2.00 -0.65 0.00 0.82 0.00 0.00 66.70 64.61 2gwg h VAL 329 Cb 1.90 2.21 -0.40 0.00 -1.52 0.00 0.00 31.29 33.49 2gwg h VAL 329 CO 0.16 0.49 -0.41 -1.22 0.02 0.00 0.00 177.57 176.61 2gwg n TYR 330 N -3.41 3.58 -0.35 1.57 4.02 0.90 -4.24 117.16 119.24 2gwg n TYR 330 Ca 0.01 -4.23 0.10 0.00 -0.01 0.00 0.00 57.90 53.77 2gwg n TYR 330 Cb 0.64 -0.79 0.30 0.00 -0.02 0.00 0.00 39.34 39.47 2gwg n TYR 330 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2gwg h PRO 331 N 5.47 0.83 -0.02 -0.72 0.11 -1.70 -0.99 132.00 134.98 2gwg h PRO 331 Ca 0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2gwg h PRO 331 Cb 0.76 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2gwg h PRO 331 CO 0.78 0.55 -0.40 0.00 -0.21 0.00 0.00 178.00 178.71 2gwg h ARG 332 N 0.85 0.04 -0.18 1.05 3.08 -1.87 -1.28 114.38 116.07 2gwg h ARG 332 Ca 0.53 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.43 2gwg h ARG 332 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2gwg h ARG 332 CO -0.30 0.44 -0.39 1.25 -1.07 0.00 0.00 179.97 179.89 2gwg h LEU 333 N 0.03 0.65 -0.81 3.04 5.85 -1.52 -1.84 115.31 120.71 2gwg h LEU 333 Ca -0.00 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.19 2gwg h LEU 333 Cb 0.73 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2gwg h LEU 333 CO 0.05 1.10 0.52 -0.78 -0.34 0.00 0.00 178.44 178.99 2gwg h ASP 334 N 0.24 0.87 -0.28 1.25 3.58 -1.03 -1.49 116.42 119.56 2gwg h ASP 334 Ca 0.00 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 2gwg h ASP 334 Cb 1.00 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2gwg h ASP 334 CO 0.09 0.61 0.05 0.00 -2.88 0.00 0.00 179.24 177.11 2gwg h ALA 335 N 1.33 0.38 -0.92 -0.78 0.00 -1.16 -2.22 119.26 115.88 2gwg h ALA 335 Ca 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2gwg h ALA 335 Cb -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2gwg h ALA 335 CO -0.10 0.05 0.60 0.00 0.00 0.00 0.00 179.25 179.80 2gwg h ALA 336 N 0.88 1.33 -0.49 0.00 0.00 -1.00 0.18 119.26 120.15 2gwg h ALA 336 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2gwg h ALA 336 Cb 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gwg h ALA 336 CO 0.00 0.62 -0.07 -0.07 0.00 0.00 0.00 179.25 179.74 2gwg h LEU 337 N 1.26 0.86 -0.34 0.00 3.38 -1.14 -0.72 115.31 118.61 2gwg h LEU 337 Ca 0.34 -0.25 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 2gwg h LEU 337 Cb -0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 2gwg h LEU 337 CO -0.07 0.96 -0.40 0.11 0.09 0.00 0.00 178.44 179.13 2gwg h LYS 338 N 0.80 0.87 -0.59 1.13 1.57 -0.76 -2.44 116.57 117.14 2gwg h LYS 338 Ca 0.14 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2gwg h LYS 338 Cb 0.57 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 2gwg h LYS 338 CO 0.03 1.13 0.21 0.00 -0.57 0.00 0.00 179.45 180.25 2gwg h ALA 339 N 0.73 0.77 -0.45 3.86 0.00 -0.81 -0.86 119.26 122.51 2gwg h ALA 339 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2gwg h ALA 339 Cb 1.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2gwg h ALA 339 CO 0.10 0.41 0.25 0.87 0.00 0.00 0.00 179.25 180.88 2gwg h LYS 340 N 0.83 0.48 0.00 0.00 1.79 -1.06 0.21 116.57 118.82 2gwg h LYS 340 Ca 0.19 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2gwg h LYS 340 Cb 0.25 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2gwg h LYS 340 CO -0.01 0.32 -0.01 0.78 -1.08 0.00 0.00 179.45 179.45 2gwg h GLY 341 N 0.50 0.00 0.00 3.86 0.00 -1.22 -3.02 103.07 103.19 2gwg h GLY 341 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2gwg h GLY 341 CO -0.10 0.00 -0.53 1.70 0.00 0.00 0.00 176.54 177.61 2gwg h LYS 342 N 0.00 0.00 0.00 4.80 3.64 -0.48 -1.27 116.57 123.26 2gwg h LYS 342 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gwg h LYS 342 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2gwg h LYS 342 CO 0.00 0.23 0.02 -0.11 -2.27 0.00 0.00 179.45 177.32 2gwg n LEU 343 N -4.61 0.37 0.00 5.20 7.94 0.68 -1.32 117.00 125.26 2gwg n LEU 343 Ca -0.11 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 2gwg n LEU 343 Cb 0.30 -0.71 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2gwg n LEU 343 CO 0.11 -0.79 0.18 -0.62 -1.11 0.00 0.00 177.39 175.16 2gwg n GLU 344 N -2.00 -0.37 -0.33 1.96 1.02 -1.14 -5.08 120.64 114.70 2gwg n GLU 344 Ca -0.01 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2gwg n GLU 344 Cb 0.04 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2gwg n GLU 344 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03