#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gwa s ARG 9 N 0.00 2.50 -0.02 0.54 1.81 -0.04 -4.49 118.95 119.23 3gwa s ARG 9 Ca 0.00 -0.74 -0.23 0.00 -1.72 0.00 0.00 55.73 53.04 3gwa s ARG 9 Cb 0.00 -2.33 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 3gwa s ARG 9 CO 0.00 0.58 0.70 0.00 -0.68 0.00 0.00 175.30 175.89 3gwa s ALA 10 N -0.62 3.37 0.03 2.13 0.00 -1.26 0.63 121.76 126.04 3gwa s ALA 10 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3gwa s ALA 10 Cb -0.11 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 3gwa s ALA 10 CO 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 175.76 175.72 3gwa s ALA 11 N 0.38 0.29 -0.47 0.00 0.00 -0.62 -3.41 121.76 117.94 3gwa s ALA 11 Ca 0.37 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 3gwa s ALA 11 Cb -0.19 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gwa s ALA 11 CO 0.19 -0.18 1.15 0.42 0.00 0.00 0.00 175.76 177.35 3gwa s ILE 12 N -1.99 4.19 -0.03 0.00 1.01 -1.26 -1.25 121.20 121.88 3gwa s ILE 12 Ca -0.10 1.22 -0.22 0.00 0.00 0.00 0.00 60.65 61.56 3gwa s ILE 12 Cb -0.06 -4.58 -0.28 0.00 0.01 0.00 0.00 42.46 37.55 3gwa s ILE 12 CO -0.03 -0.98 0.96 0.00 0.00 0.00 0.00 174.94 174.90 3gwa h ALA 13 N 9.29 -0.03 -2.29 9.38 0.00 -1.21 -3.49 119.26 130.90 3gwa h ALA 13 Ca -0.23 -0.64 0.11 0.00 0.00 0.00 0.00 54.91 54.15 3gwa h ALA 13 Cb 1.06 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 3gwa h ALA 13 CO 1.12 0.34 0.49 0.34 0.00 0.00 0.00 179.25 181.55 3gwa s ASP 14 N -6.84 -0.36 0.00 0.00 2.15 -1.25 -5.01 116.67 105.37 3gwa s ASP 14 Ca -0.14 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.83 3gwa s ASP 14 Cb 0.02 0.39 -0.01 0.00 -0.30 0.00 0.00 42.92 43.02 3gwa s ASP 14 CO 0.82 -0.64 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.51 3gwa s ILE 15 N -3.14 0.30 -0.01 4.11 1.01 -1.26 -1.67 121.20 120.54 3gwa s ILE 15 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3gwa s ILE 15 Cb -0.01 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.19 3gwa s ILE 15 CO -0.08 0.02 -0.01 0.00 0.00 0.00 0.00 174.94 174.87 3gwa s ALA 16 N -0.24 0.15 0.25 9.38 0.00 -0.03 -4.95 121.76 126.32 3gwa s ALA 16 Ca -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.01 3gwa s ALA 16 Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3gwa s ALA 16 CO -0.00 0.01 0.18 0.20 0.00 0.00 0.00 175.76 176.15 3gwa s GLY 17 N 0.13 1.44 -0.07 0.00 0.00 -1.26 -0.29 107.32 107.27 3gwa s GLY 17 Ca -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 3gwa s GLY 17 CO -0.00 -1.48 0.14 -1.58 0.00 0.00 0.00 173.10 170.17 3gwa s HIS 18 N -2.15 -0.14 -0.04 1.90 2.46 -0.12 -4.78 115.29 112.41 3gwa s HIS 18 Ca 0.33 0.48 0.04 0.00 0.47 0.00 0.00 55.06 56.37 3gwa s HIS 18 Cb -0.08 -0.15 -0.03 0.00 -0.13 0.00 0.00 32.58 32.20 3gwa s HIS 18 CO 0.24 -0.19 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.67 3gwa s LEU 19 N 1.45 2.71 1.00 8.88 1.43 -1.26 -0.93 118.68 131.97 3gwa s LEU 19 Ca -0.06 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3gwa s LEU 19 Cb -0.12 -1.55 0.19 0.00 0.03 0.00 0.00 46.19 44.74 3gwa s LEU 19 CO -0.06 0.34 1.08 -2.16 0.23 0.00 0.00 176.35 175.78 3gwa s PRO 20 N -0.80 0.38 0.01 1.29 0.04 -1.26 -4.99 135.00 129.66 3gwa s PRO 20 Ca 0.12 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 3gwa s PRO 20 Cb -0.11 -1.72 -0.27 0.00 0.04 0.00 0.00 34.50 32.44 3gwa s PRO 20 CO 0.01 -2.80 1.05 1.49 0.04 0.00 0.00 177.00 176.79 3gwa h GLU 21 N -1.95 0.46 -6.49 4.56 4.81 -1.98 -3.41 114.58 110.59 3gwa h GLU 21 Ca -0.54 -0.60 -0.53 0.00 -0.13 0.00 0.00 59.36 57.56 3gwa h GLU 21 Cb 1.32 0.19 0.03 0.00 0.63 0.00 0.00 28.75 30.93 3gwa h GLU 21 CO 0.56 1.24 1.11 -1.14 -0.73 0.00 0.00 179.01 180.05 3gwa s GLN 22 N -2.95 4.14 -0.19 1.92 2.00 -1.25 -4.89 119.66 118.45 3gwa s GLN 22 Ca -0.12 2.57 -0.08 0.00 -2.00 0.00 0.00 55.36 55.73 3gwa s GLN 22 Cb 0.04 -3.66 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 3gwa s GLN 22 CO 0.86 -0.85 0.08 0.08 -0.50 0.00 0.00 175.29 174.97 3gwa s VAL 23 N 2.93 4.96 -0.40 1.34 1.01 -1.26 -0.65 120.40 128.34 3gwa s VAL 23 Ca 0.81 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 3gwa s VAL 23 Cb -0.45 -3.25 0.07 0.00 0.00 0.00 0.00 36.38 32.75 3gwa s VAL 23 CO 0.36 0.45 0.22 -0.22 0.00 0.00 0.00 175.10 175.91 3gwa s LEU 24 N 0.44 4.93 0.43 3.92 2.96 0.70 -4.98 118.68 127.08 3gwa s LEU 24 Ca 0.05 -1.41 -0.01 0.00 -0.22 0.00 0.00 54.13 52.54 3gwa s LEU 24 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3gwa s LEU 24 CO -0.00 -0.48 0.66 0.42 -1.32 0.00 0.00 176.35 175.63 3gwa s THR 25 N 1.41 4.50 0.37 3.68 -4.23 -1.26 -1.56 115.64 118.55 3gwa s THR 25 Ca 0.02 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 3gwa s THR 25 Cb -0.22 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.19 3gwa s THR 25 CO 0.02 -0.50 2.00 0.78 -0.54 0.00 0.00 174.62 176.38 3gwa h ASN 26 N 0.46 0.56 -0.63 3.99 2.35 -1.69 -2.08 115.58 118.53 3gwa h ASN 26 Ca -0.47 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.20 3gwa h ASN 26 Cb 1.23 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 3gwa h ASN 26 CO 0.60 0.45 0.22 0.44 -1.65 0.00 0.00 177.43 177.49 3gwa h ASP 27 N 0.64 0.90 -0.54 5.81 3.32 -1.93 0.43 116.42 125.05 3gwa h ASP 27 Ca 0.17 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3gwa h ASP 27 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3gwa h ASP 27 CO -0.03 0.85 -0.13 0.58 -1.72 0.00 0.00 179.24 178.79 3gwa h VAL 28 N 0.90 1.27 -0.37 -1.35 2.07 -1.91 -2.55 116.25 114.31 3gwa h VAL 28 Ca 0.21 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 3gwa h VAL 28 Cb 0.25 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3gwa h VAL 28 CO -0.01 0.46 -0.03 -0.07 0.02 0.00 0.00 177.57 177.93 3gwa h LEU 29 N 0.92 0.56 -1.31 2.57 3.38 -1.14 -2.45 115.31 117.84 3gwa h LEU 29 Ca 0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3gwa h LEU 29 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gwa h LEU 29 CO 0.05 0.66 -0.29 0.00 0.09 0.00 0.00 178.44 178.95 3gwa h ALA 30 N 1.41 1.43 -0.20 1.53 0.00 -0.72 0.24 119.26 122.95 3gwa h ALA 30 Ca 0.11 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3gwa h ALA 30 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gwa h ALA 30 CO 0.02 0.42 -0.58 -0.56 0.00 0.00 0.00 179.25 178.55 3gwa h GLN 31 N 0.08 0.62 -0.06 0.00 -0.00 -1.10 -3.26 115.11 111.39 3gwa h GLN 31 Ca 0.01 -0.41 -0.23 0.00 -0.00 0.00 0.00 58.65 58.02 3gwa h GLN 31 Cb 0.56 0.05 0.01 0.00 -0.00 0.00 0.00 27.48 28.11 3gwa h GLN 31 CO 0.04 1.03 -0.90 -0.07 -0.00 0.00 0.00 178.83 178.93 3gwa h LEU 32 N 0.47 0.78 -7.44 0.06 3.38 -1.05 -3.41 115.31 108.10 3gwa h LEU 32 Ca 0.00 -0.57 -0.66 0.00 0.09 0.00 0.00 57.88 56.74 3gwa h LEU 32 Cb 1.14 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 41.26 3gwa h LEU 32 CO 0.11 1.36 -0.57 -0.31 0.09 0.00 0.00 178.44 179.13 3gwa s TYR 33 N -3.48 3.27 0.38 1.13 2.02 0.82 -4.96 117.35 116.52 3gwa s TYR 33 Ca -0.08 -3.05 0.09 0.00 -0.37 0.00 0.00 57.07 53.65 3gwa s TYR 33 Cb 0.08 -2.92 0.84 0.00 -0.40 0.00 0.00 41.96 39.56 3gwa s TYR 33 CO 0.89 -0.78 1.93 -1.35 -1.57 0.00 0.00 175.55 174.67 3gwa h PRO 34 N 6.69 0.64 0.00 -1.71 0.11 -1.80 0.20 132.00 136.13 3gwa h PRO 34 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3gwa h PRO 34 Cb 0.91 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3gwa h PRO 34 CO 0.69 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.50 3gwa n ASP 35 N -4.50 0.40 -3.87 -2.05 5.75 -1.26 -4.10 116.55 106.91 3gwa n ASP 35 Ca 0.13 0.59 -0.28 0.00 -0.01 0.00 0.00 54.79 55.22 3gwa n ASP 35 Cb 0.36 -0.68 -0.12 0.00 -1.03 0.00 0.00 41.12 39.66 3gwa n ASP 35 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3gwa n TRP 36 N -1.93 3.16 -0.86 2.11 7.02 0.06 -5.07 117.44 121.93 3gwa n TRP 36 Ca 0.03 -4.28 -0.32 0.00 -1.02 0.00 0.00 57.50 51.91 3gwa n TRP 36 Cb 0.22 -0.60 0.15 0.00 -2.42 0.00 0.00 31.31 28.66 3gwa n TRP 36 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 3gwa s PRO 37 N -1.48 1.27 0.35 -0.99 0.02 -1.26 -4.13 135.00 128.79 3gwa s PRO 37 Ca 0.26 1.59 0.11 0.00 0.02 0.00 0.00 61.00 62.98 3gwa s PRO 37 Cb -0.03 -1.75 0.89 0.00 0.02 0.00 0.00 34.50 33.62 3gwa s PRO 37 CO -0.17 -2.45 1.81 0.00 -0.33 0.00 0.00 177.00 175.87 3gwa h ALA 38 N -1.54 1.91 -0.19 -1.55 0.00 -1.92 -0.54 119.26 115.44 3gwa h ALA 38 Ca -0.44 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 3gwa h ALA 38 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3gwa h ALA 38 CO 0.43 -0.24 -0.33 1.05 0.00 0.00 0.00 179.25 180.17 3gwa h GLU 39 N 0.62 0.39 -0.40 0.00 -0.00 -1.94 -2.12 114.58 111.12 3gwa h GLU 39 Ca 0.53 -0.16 -0.14 0.00 -0.00 0.00 0.00 59.36 59.58 3gwa h GLU 39 Cb 1.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.74 3gwa h GLU 39 CO -0.28 0.67 -0.31 -0.22 -0.00 0.00 0.00 179.01 178.87 3gwa h LYS 40 N 0.33 0.93 -0.07 1.06 3.64 -1.45 -1.76 116.57 119.25 3gwa h LYS 40 Ca 0.04 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3gwa h LYS 40 Cb 0.74 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3gwa h LYS 40 CO 0.06 1.11 0.04 0.82 -2.27 0.00 0.00 179.45 179.21 3gwa h ILE 41 N 0.75 1.08 -0.72 2.00 2.04 -1.30 -2.29 117.51 119.08 3gwa h ILE 41 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3gwa h ILE 41 Cb 0.90 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3gwa h ILE 41 CO 0.08 0.07 0.35 0.25 0.00 0.00 0.00 178.15 178.91 3gwa h LEU 42 N 0.02 0.93 -0.61 1.44 5.85 -1.37 -1.50 115.31 120.06 3gwa h LEU 42 Ca 0.02 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3gwa h LEU 42 Cb 0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3gwa h LEU 42 CO -0.00 0.79 0.21 0.00 -0.34 0.00 0.00 178.44 179.10 3gwa h ALA 43 N 1.17 0.80 0.01 1.25 0.00 -1.26 0.12 119.26 121.35 3gwa h ALA 43 Ca 0.25 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3gwa h ALA 43 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3gwa h ALA 43 CO -0.03 0.45 -0.92 1.57 0.00 0.00 0.00 179.25 180.32 3gwa h LYS 44 N 0.87 0.02 0.00 0.00 5.09 -1.26 -3.40 116.57 117.89 3gwa h LYS 44 Ca 0.20 -0.03 -0.06 0.00 0.09 0.00 0.00 60.65 60.85 3gwa h LYS 44 Cb 0.26 0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 3gwa h LYS 44 CO -0.01 0.92 -1.22 0.25 -2.09 0.00 0.00 179.45 177.30 3gwa n THR 45 N -3.47 0.22 -1.01 0.07 -2.24 -0.58 -4.48 114.28 102.79 3gwa n THR 45 Ca -0.01 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3gwa n THR 45 Cb 0.87 -0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3gwa n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gwa n GLY 46 N 2.86 0.42 3.57 3.38 0.00 0.40 -0.91 105.19 114.91 3gwa n GLY 46 Ca -0.06 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3gwa n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gwa s ILE 47 N -1.80 4.08 -0.15 -0.61 1.01 -1.26 -4.21 121.20 118.26 3gwa s ILE 47 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3gwa s ILE 47 Cb 0.00 -2.77 -0.12 0.00 0.01 0.00 0.00 42.46 39.58 3gwa s ILE 47 CO 0.00 0.53 -0.09 -1.14 0.00 0.00 0.00 174.94 174.24 3gwa n ARG 48 N 3.07 0.87 -3.92 2.79 0.63 0.87 -4.35 116.66 116.61 3gwa n ARG 48 Ca -0.18 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 56.71 3gwa n ARG 48 Cb 0.53 -1.32 -0.11 0.00 0.45 0.00 0.00 32.46 32.00 3gwa n ARG 48 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3gwa s GLU 49 N -2.31 0.28 0.18 -0.14 2.02 -0.84 -1.76 118.70 116.13 3gwa s GLU 49 Ca -0.17 -0.38 0.09 0.00 0.02 0.00 0.00 54.97 54.52 3gwa s GLU 49 Cb 0.05 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 3gwa s GLU 49 CO 0.41 -0.05 -0.17 1.03 0.02 0.00 0.00 175.26 176.50 3gwa s ARG 50 N -1.04 1.32 -0.04 1.61 3.00 -0.60 -2.46 118.95 120.73 3gwa s ARG 50 Ca -0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 55.73 54.11 3gwa s ARG 50 Cb -0.07 -1.30 -0.04 0.00 0.00 0.00 0.00 34.95 33.54 3gwa s ARG 50 CO -0.00 0.25 0.10 1.03 0.00 0.00 0.00 175.30 176.68 3gwa s ARG 51 N -3.07 3.20 -0.08 3.54 1.81 -1.26 -0.21 118.95 122.87 3gwa s ARG 51 Ca 0.18 -0.36 0.02 0.00 -1.72 0.00 0.00 55.73 53.85 3gwa s ARG 51 Cb -0.04 -2.96 0.01 0.00 -0.45 0.00 0.00 34.95 31.51 3gwa s ARG 51 CO 0.07 0.69 -0.14 0.42 -0.68 0.00 0.00 175.30 175.67 3gwa s ILE 52 N -1.13 1.31 0.55 1.52 -1.09 0.18 -0.10 121.20 122.44 3gwa s ILE 52 Ca 0.20 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 57.85 3gwa s ILE 52 Cb -0.12 -1.19 -0.05 0.00 -1.58 0.00 0.00 42.46 39.52 3gwa s ILE 52 CO 0.11 0.40 1.34 0.00 -1.23 0.00 0.00 174.94 175.55 3gwa s ALA 53 N 0.78 2.79 0.79 9.38 0.00 -1.26 -3.77 121.76 130.47 3gwa s ALA 53 Ca -0.12 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3gwa s ALA 53 Cb -0.16 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.48 3gwa s ALA 53 CO 0.02 -1.35 1.22 0.00 0.00 0.00 0.00 175.76 175.65 3gwa s ALA 54 N -1.33 1.88 0.29 0.00 0.00 -1.26 -4.88 121.76 116.46 3gwa s ALA 54 Ca 0.72 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3gwa s ALA 54 Cb -0.39 -3.50 0.71 0.00 0.00 0.00 0.00 23.12 19.93 3gwa s ALA 54 CO 0.46 -2.24 1.65 -1.35 0.00 0.00 0.00 175.76 174.28 3gwa h PRO 55 N -0.76 0.21 -0.39 0.00 0.11 -2.05 -0.74 132.00 128.39 3gwa h PRO 55 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gwa h PRO 55 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gwa h PRO 55 CO 0.47 0.14 0.00 0.54 -0.21 0.00 0.00 178.00 178.94 3gwa n ARG 56 N -5.21 2.42 -3.07 1.05 1.74 -1.26 -4.91 116.66 107.42 3gwa n ARG 56 Ca 0.21 -2.22 -0.40 0.00 -0.77 0.00 0.00 57.85 54.67 3gwa n ARG 56 Cb 0.68 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.60 3gwa n ARG 56 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3gwa s GLU 57 N -1.34 4.23 0.44 5.56 2.12 -0.28 -5.06 118.70 124.37 3gwa s GLU 57 Ca 0.36 0.71 0.07 0.00 0.36 0.00 0.00 54.97 56.47 3gwa s GLU 57 Cb 0.21 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 31.04 3gwa s GLU 57 CO 0.29 -0.26 0.60 0.95 -0.54 0.00 0.00 175.26 176.31 3gwa s THR 58 N 1.95 2.94 0.23 -1.70 -4.23 -1.26 -4.56 115.64 109.00 3gwa s THR 58 Ca 0.31 -0.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 3gwa s THR 58 Cb -0.16 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.87 3gwa s THR 58 CO 0.11 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.01 3gwa h ALA 59 N 0.55 1.05 -0.88 3.99 0.00 -1.89 -1.82 119.26 120.26 3gwa h ALA 59 Ca -0.40 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gwa h ALA 59 Cb 1.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3gwa h ALA 59 CO 0.46 0.14 0.58 0.00 0.00 0.00 0.00 179.25 180.43 3gwa h ALA 60 N 1.39 1.37 -0.95 0.00 0.00 -1.92 -0.59 119.26 118.57 3gwa h ALA 60 Ca 0.35 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3gwa h ALA 60 Cb 0.22 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3gwa h ALA 60 CO -0.19 0.58 0.63 -0.44 0.00 0.00 0.00 179.25 179.83 3gwa h ASP 61 N 1.19 1.07 -0.51 0.00 3.32 -1.73 0.09 116.42 119.85 3gwa h ASP 61 Ca 0.32 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 3gwa h ASP 61 Cb -0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 3gwa h ASP 61 CO -0.07 0.77 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.98 3gwa h LEU 62 N 1.26 1.03 -0.87 1.55 3.38 -0.74 -2.75 115.31 118.17 3gwa h LEU 62 Ca 0.36 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3gwa h LEU 62 Cb -0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.33 3gwa h LEU 62 CO -0.09 1.17 0.11 0.00 0.09 0.00 0.00 178.44 179.73 3gwa h ALA 63 N 0.89 1.08 -0.32 1.53 0.00 -0.74 -1.15 119.26 120.54 3gwa h ALA 63 Ca 0.12 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gwa h ALA 63 Cb 0.75 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3gwa h ALA 63 CO 0.06 0.60 -0.04 -0.92 0.00 0.00 0.00 179.25 178.96 3gwa h TYR 64 N 0.90 -0.09 -0.64 0.00 3.20 -0.87 -0.53 116.97 118.94 3gwa h TYR 64 Ca 0.19 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3gwa h TYR 64 Cb 0.37 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3gwa h TYR 64 CO 0.02 -0.10 0.08 0.93 -1.64 0.00 0.00 178.16 177.46 3gwa h GLU 65 N 0.05 1.07 -0.64 1.82 4.39 -1.16 -1.47 114.58 118.63 3gwa h GLU 65 Ca 0.15 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.58 3gwa h GLU 65 Cb 0.22 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3gwa h GLU 65 CO -0.29 0.99 0.41 0.00 -1.16 0.00 0.00 179.01 178.96 3gwa h ALA 66 N 1.08 0.83 -0.37 3.43 0.00 -0.85 -1.34 119.26 122.04 3gwa h ALA 66 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gwa h ALA 66 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gwa h ALA 66 CO 0.02 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.49 3gwa h ALA 67 N 1.26 0.49 -0.64 0.00 0.00 -0.83 -0.64 119.26 118.90 3gwa h ALA 67 Ca 0.25 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3gwa h ALA 67 Cb -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3gwa h ALA 67 CO -0.08 0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.74 3gwa h ARG 68 N 0.46 0.62 -0.65 0.00 2.47 -1.11 -0.61 114.38 115.55 3gwa h ARG 68 Ca 0.11 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3gwa h ARG 68 Cb 0.42 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 3gwa h ARG 68 CO 0.01 0.41 0.31 0.87 0.56 0.00 0.00 179.97 182.13 3gwa h LYS 69 N 0.63 0.94 -0.35 0.04 1.57 -0.98 -1.83 116.57 116.59 3gwa h LYS 69 Ca 0.29 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3gwa h LYS 69 Cb 0.20 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3gwa h LYS 69 CO -0.19 0.75 0.18 1.25 -0.57 0.00 0.00 179.45 180.87 3gwa h LEU 70 N 0.90 0.28 -1.10 2.94 5.85 -0.47 -2.40 115.31 121.30 3gwa h LEU 70 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3gwa h LEU 70 Cb 0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3gwa h LEU 70 CO -0.03 0.21 0.30 -0.26 -0.34 0.00 0.00 178.44 178.32 3gwa h PHE 71 N 0.38 0.93 0.00 1.25 0.04 -0.89 -2.13 116.94 116.51 3gwa h PHE 71 Ca 0.14 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 3gwa h PHE 71 Cb 0.04 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 3gwa h PHE 71 CO -0.09 0.69 -0.08 0.00 -0.60 0.00 0.00 178.31 178.23 3gwa h ALA 72 N 1.40 1.08 0.00 2.45 0.00 -0.94 -2.28 119.26 120.97 3gwa h ALA 72 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gwa h ALA 72 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gwa h ALA 72 CO -0.03 0.10 0.00 1.96 0.00 0.00 0.00 179.25 181.28 3gwa h GLN 73 N 0.00 0.00 0.00 0.00 4.20 -0.90 -3.48 115.11 114.93 3gwa h GLN 73 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gwa h GLN 73 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3gwa h GLN 73 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 3gwa n GLY 74 N 0.60 0.69 0.09 3.46 0.00 -0.86 -4.91 105.19 104.26 3gwa n GLY 74 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3gwa n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwa h ALA 75 N 0.00 0.31 -2.45 4.61 0.00 -1.82 -3.47 119.26 116.44 3gwa h ALA 75 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 54.91 53.74 3gwa h ALA 75 Cb 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.72 3gwa h ALA 75 CO 0.00 1.18 -0.69 0.14 0.00 0.00 0.00 179.25 179.89 3gwa s VAL 76 N -2.65 0.20 0.24 0.00 -7.23 -1.26 -5.06 120.40 104.63 3gwa s VAL 76 Ca -0.04 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 3gwa s VAL 76 Cb 0.08 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 3gwa s VAL 76 CO 0.85 -0.86 -0.10 -0.83 -0.31 0.00 0.00 175.10 173.85 3gwa s GLY 77 N -2.51 1.60 0.31 2.32 0.00 -1.26 -4.33 107.32 103.45 3gwa s GLY 77 Ca 0.01 -1.77 0.06 0.00 0.00 0.00 0.00 44.72 43.02 3gwa s GLY 77 CO -0.07 -1.79 1.79 0.00 0.00 0.00 0.00 173.10 173.03 3gwa h ALA 78 N 2.44 1.70 0.00 3.20 0.00 -1.91 -1.08 119.26 123.60 3gwa h ALA 78 Ca -0.39 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3gwa h ALA 78 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gwa h ALA 78 CO 0.64 -0.05 -0.03 0.38 0.00 0.00 0.00 179.25 180.20 3gwa h ASP 79 N 0.77 0.00 1.04 0.00 -0.00 -1.92 -2.49 116.42 113.82 3gwa h ASP 79 Ca 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.57 3gwa h ASP 79 Cb 0.87 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.20 3gwa h ASP 79 CO -0.35 0.03 -0.97 1.56 -0.00 0.00 0.00 179.24 179.51 3gwa h GLN 80 N 0.00 0.00 -6.50 4.15 4.20 -1.61 -3.45 115.11 111.90 3gwa h GLN 80 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3gwa h GLN 80 Cb 0.15 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.95 3gwa h GLN 80 CO 0.00 0.04 0.79 0.08 -0.67 0.00 0.00 178.83 179.07 3gwa s VAL 81 N -3.30 3.32 0.00 -0.54 1.01 -0.94 -4.52 120.40 115.44 3gwa s VAL 81 Ca -0.00 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3gwa s VAL 81 Cb 0.09 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3gwa s VAL 81 CO 0.78 0.04 0.84 -0.90 0.00 0.00 0.00 175.10 175.87 3gwa n ASP 82 N 4.47 1.42 -3.64 3.32 5.68 -0.70 -4.49 116.55 122.62 3gwa n ASP 82 Ca 0.12 -1.69 -0.10 0.00 -0.50 0.00 0.00 54.79 52.62 3gwa n ASP 82 Cb 0.42 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.33 3gwa n ASP 82 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3gwa s PHE 83 N -0.69 -0.84 -0.14 2.11 5.36 -1.20 -1.61 117.98 120.97 3gwa s PHE 83 Ca 0.00 1.87 0.02 0.00 -0.96 0.00 0.00 56.93 57.86 3gwa s PHE 83 Cb 0.00 0.42 0.01 0.00 -0.34 0.00 0.00 43.02 43.11 3gwa s PHE 83 CO 0.00 -0.41 -0.21 0.08 -1.46 0.00 0.00 175.22 173.22 3gwa s VAL 84 N 0.89 1.99 -0.19 3.12 1.01 0.11 -0.18 120.40 127.15 3gwa s VAL 84 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3gwa s VAL 84 Cb -0.05 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3gwa s VAL 84 CO -0.09 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.78 3gwa s ILE 85 N 0.88 2.53 -0.30 2.22 1.01 -0.32 -1.54 121.20 125.67 3gwa s ILE 85 Ca -0.06 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 3gwa s ILE 85 Cb -0.15 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3gwa s ILE 85 CO -0.03 0.50 0.10 -0.22 0.00 0.00 0.00 174.94 175.28 3gwa s LEU 86 N 1.36 3.96 -0.35 2.97 2.96 -0.47 -0.14 118.68 128.96 3gwa s LEU 86 Ca 0.05 -0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 3gwa s LEU 86 Cb -0.13 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 3gwa s LEU 86 CO -0.10 -0.21 0.47 0.00 -1.32 0.00 0.00 176.35 175.19 3gwa s THR 88 N 2.28 0.04 -0.16 0.00 -1.32 -0.70 -1.66 115.64 114.12 3gwa s THR 88 Ca 0.16 -0.33 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 3gwa s THR 88 Cb -0.16 -0.81 0.41 0.00 -1.51 0.00 0.00 72.50 70.43 3gwa s THR 88 CO 0.13 -0.18 1.29 0.00 -2.21 0.00 0.00 174.62 173.64 3gwa n GLN 89 N 0.96 2.11 -3.12 7.08 6.02 -1.26 -4.31 117.38 124.86 3gwa n GLN 89 Ca -0.20 -2.71 -0.20 0.00 -0.01 0.00 0.00 57.00 53.88 3gwa n GLN 89 Cb 0.57 -1.67 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 3gwa n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gwa n ALA 90 N -0.97 1.75 -1.25 -1.58 0.00 -1.26 -4.96 120.51 112.24 3gwa n ALA 90 Ca 0.19 -3.11 -0.30 0.00 0.00 0.00 0.00 53.44 50.22 3gwa n ALA 90 Cb 0.77 -0.92 0.12 0.00 0.00 0.00 0.00 19.45 19.42 3gwa n ALA 90 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3gwa s PRO 91 N -1.33 1.64 0.07 0.00 0.02 -1.26 -4.09 135.00 130.05 3gwa s PRO 91 Ca 0.36 0.91 -0.23 0.00 0.02 0.00 0.00 61.00 62.06 3gwa s PRO 91 Cb 0.24 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.77 3gwa s PRO 91 CO -0.11 -2.00 1.63 -0.44 -0.33 0.00 0.00 177.00 175.74 3gwa h ASP 92 N -1.38 0.06 -4.59 2.53 5.19 -1.97 -3.46 116.42 112.79 3gwa h ASP 92 Ca -0.47 -0.13 -0.26 0.00 -0.62 0.00 0.00 57.03 55.55 3gwa h ASP 92 Cb 1.27 -0.01 -0.15 0.00 0.18 0.00 0.00 39.33 40.61 3gwa h ASP 92 CO 0.54 0.17 -0.68 -0.31 -3.12 0.00 0.00 179.24 175.84 3gwa s TYR 93 N -5.69 1.06 0.23 4.55 2.02 -1.26 -5.02 117.35 113.24 3gwa s TYR 93 Ca -0.14 -0.98 -0.07 0.00 -0.37 0.00 0.00 57.07 55.51 3gwa s TYR 93 Cb 0.05 -0.60 0.30 0.00 -0.40 0.00 0.00 41.96 41.31 3gwa s TYR 93 CO 0.67 -0.20 1.84 0.28 -1.57 0.00 0.00 175.55 176.58 3gwa h VAL 94 N 2.82 1.03 -1.87 0.71 2.07 -2.03 -3.45 116.25 115.52 3gwa h VAL 94 Ca -0.36 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3gwa h VAL 94 Cb 1.19 0.06 -0.22 0.00 -1.52 0.00 0.00 31.29 30.80 3gwa h VAL 94 CO 0.63 0.16 0.25 -1.48 0.02 0.00 0.00 177.57 177.16 3gwa s LEU 95 N -10.22 -0.63 0.80 2.57 0.05 -1.26 -4.78 118.68 105.21 3gwa s LEU 95 Ca -0.13 1.04 -0.12 0.00 0.05 0.00 0.00 54.13 54.97 3gwa s LEU 95 Cb 0.18 2.31 0.07 0.00 -2.05 0.00 0.00 46.19 46.69 3gwa s LEU 95 CO 0.78 -0.33 1.12 -2.16 -0.55 0.00 0.00 176.35 175.21 3gwa s PRO 96 N -0.21 2.07 0.15 1.48 0.04 -1.26 -5.12 135.00 132.14 3gwa s PRO 96 Ca -0.02 0.43 -0.34 0.00 0.04 0.00 0.00 61.00 61.10 3gwa s PRO 96 Cb -0.03 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 3gwa s PRO 96 CO 0.02 -1.58 1.38 2.41 0.04 0.00 0.00 177.00 179.26 3gwa n THR 97 N -3.37 0.32 0.03 1.26 -1.04 -1.26 -4.47 114.28 105.75 3gwa n THR 97 Ca 0.07 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.05 61.97 3gwa n THR 97 Cb 0.58 -1.11 0.22 0.00 -1.82 0.00 0.00 70.33 68.20 3gwa n THR 97 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3gwa h SER 98 N 4.62 0.43 -0.16 8.00 0.02 -1.95 -2.70 113.55 121.81 3gwa h SER 98 Ca -0.46 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 3gwa h SER 98 Cb 1.31 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 3gwa h SER 98 CO 0.79 0.69 0.11 0.00 -1.14 0.00 0.00 176.83 177.27 3gwa h ALA 99 N 1.35 1.92 -0.49 3.77 0.00 -1.92 -1.85 119.26 122.04 3gwa h ALA 99 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gwa h ALA 99 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3gwa h ALA 99 CO 0.05 0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.57 3gwa h MET 101 N 0.65 0.62 -0.60 0.00 2.86 -1.48 -3.01 114.93 113.97 3gwa h MET 101 Ca 0.16 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3gwa h MET 101 Cb 0.18 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3gwa h MET 101 CO -0.01 0.81 0.13 -0.07 1.06 0.00 0.00 176.91 178.82 3gwa h LEU 102 N 0.55 0.89 -0.45 1.22 3.38 -1.01 -0.07 115.31 119.82 3gwa h LEU 102 Ca 0.08 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3gwa h LEU 102 Cb 0.70 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 3gwa h LEU 102 CO 0.05 0.87 -0.13 -0.61 0.09 0.00 0.00 178.44 178.72 3gwa h GLN 103 N 0.90 -0.02 -0.08 1.13 -0.00 -1.01 -0.71 115.11 115.31 3gwa h GLN 103 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 3gwa h GLN 103 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 3gwa h GLN 103 CO 0.00 -0.02 -0.05 1.25 0.00 0.00 0.00 178.83 180.01 3gwa h HIS 104 N -0.02 0.21 -0.84 3.99 2.76 -1.40 -1.16 115.15 118.68 3gwa h HIS 104 Ca 0.22 -0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3gwa h HIS 104 Cb 0.35 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 3gwa h HIS 104 CO -0.40 0.57 0.55 0.00 -1.30 0.00 0.00 177.93 177.35 3gwa h ARG 105 N -0.21 0.80 -0.01 5.26 3.08 -0.84 -1.98 114.38 120.48 3gwa h ARG 105 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gwa h ARG 105 Cb 0.52 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3gwa h ARG 105 CO 0.01 0.53 -0.21 1.28 -1.07 0.00 0.00 179.97 180.51 3gwa n LEU 106 N -4.52 0.71 -1.11 3.04 4.77 -0.29 -4.94 117.00 114.67 3gwa n LEU 106 Ca 0.14 -0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3gwa n LEU 106 Cb 0.31 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3gwa n LEU 106 CO 0.32 0.14 -0.12 0.61 -1.33 0.00 0.00 177.39 177.00 3gwa n GLY 107 N 1.34 -0.00 3.77 -0.72 0.00 -0.74 -4.84 105.19 103.98 3gwa n GLY 107 Ca 0.12 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 3gwa n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gwa s ILE 108 N -2.49 3.92 0.69 -0.61 1.01 -0.46 -4.58 121.20 118.68 3gwa s ILE 108 Ca 0.00 1.72 -0.16 0.00 0.00 0.00 0.00 60.65 62.20 3gwa s ILE 108 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3gwa s ILE 108 CO 0.00 0.25 1.24 -2.84 0.00 0.00 0.00 174.94 173.59 3gwa s PRO 109 N -1.80 2.34 0.00 2.79 0.02 -1.26 -4.67 135.00 132.43 3gwa s PRO 109 Ca 0.48 1.90 0.17 0.00 0.02 0.00 0.00 61.00 63.57 3gwa s PRO 109 Cb -0.24 -1.84 0.77 0.00 0.02 0.00 0.00 34.50 33.21 3gwa s PRO 109 CO 0.30 -1.72 1.52 0.25 -0.33 0.00 0.00 177.00 177.02 3gwa n THR 110 N -2.32 0.71 1.55 0.99 -2.24 -1.26 -1.93 114.28 109.77 3gwa n THR 110 Ca 0.14 0.18 0.15 0.00 -2.27 0.00 0.00 64.05 62.25 3gwa n THR 110 Cb 0.49 -0.90 0.67 0.00 -2.10 0.00 0.00 70.33 68.50 3gwa n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gwa n HIS 111 N -1.41 0.00 -2.45 4.78 1.44 -1.26 -4.86 115.22 111.45 3gwa n HIS 111 Ca 0.06 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.38 3gwa n HIS 111 Cb 0.17 -0.12 -0.04 0.00 0.12 0.00 0.00 29.99 30.13 3gwa n HIS 111 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gwa s ALA 112 N -2.30 3.28 0.63 1.59 0.00 -0.81 -4.93 121.76 119.22 3gwa s ALA 112 Ca 0.34 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 3gwa s ALA 112 Cb 0.21 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3gwa s ALA 112 CO 0.43 -0.25 1.04 0.20 0.00 0.00 0.00 175.76 177.19 3gwa s GLY 113 N -1.09 1.87 -0.26 0.00 0.00 -0.63 -4.87 107.32 102.34 3gwa s GLY 113 Ca 0.50 0.18 -0.21 0.00 0.00 0.00 0.00 44.72 45.19 3gwa s GLY 113 CO 0.37 0.48 0.67 0.00 0.00 0.00 0.00 173.10 174.62 3gwa s ALA 114 N -2.81 -1.72 0.12 3.20 0.00 -1.26 0.04 121.76 119.34 3gwa s ALA 114 Ca 0.60 2.06 -0.23 0.00 0.00 0.00 0.00 51.96 54.39 3gwa s ALA 114 Cb -0.14 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.84 3gwa s ALA 114 CO 0.46 -0.34 0.57 -0.48 0.00 0.00 0.00 175.76 175.97 3gwa s LEU 115 N 0.82 -0.40 -0.08 0.00 0.05 -0.59 -4.80 118.68 113.68 3gwa s LEU 115 Ca -0.04 0.06 -0.05 0.00 0.05 0.00 0.00 54.13 54.15 3gwa s LEU 115 Cb -0.05 2.44 -0.04 0.00 -2.05 0.00 0.00 46.19 46.50 3gwa s LEU 115 CO -0.06 -0.89 0.15 -1.81 -0.55 0.00 0.00 176.35 173.18 3gwa s ASP 116 N -2.50 6.30 -0.10 1.48 1.01 -1.26 -1.37 116.67 120.23 3gwa s ASP 116 Ca -0.01 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.68 3gwa s ASP 116 Cb -0.00 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3gwa s ASP 116 CO -0.09 0.35 -0.18 -0.69 0.21 0.00 0.00 175.17 174.77 3gwa s VAL 117 N -1.13 2.60 -0.56 -1.27 1.01 0.13 -4.92 120.40 116.27 3gwa s VAL 117 Ca 0.19 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3gwa s VAL 117 Cb -0.12 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.32 3gwa s VAL 117 CO 0.09 0.55 0.61 0.21 0.00 0.00 0.00 175.10 176.56 3gwa s ASN 118 N 0.15 6.19 0.13 3.32 3.84 -1.26 -1.72 114.94 125.59 3gwa s ASN 118 Ca -0.10 -1.46 -0.09 0.00 0.21 0.00 0.00 52.86 51.42 3gwa s ASN 118 Cb -0.16 -2.26 -0.00 0.00 -0.55 0.00 0.00 41.25 38.28 3gwa s ASN 118 CO 0.06 -0.97 0.25 -0.76 -2.79 0.00 0.00 177.10 172.89 3gwa s LEU 119 N 2.27 1.12 0.00 3.21 1.43 -1.26 -5.02 118.68 120.43 3gwa s LEU 119 Ca 0.09 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3gwa s LEU 119 Cb -0.25 1.15 0.00 0.00 0.03 0.00 0.00 46.19 47.11 3gwa s LEU 119 CO 0.06 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.42 3gwa n GLY 120 N -0.16 0.81 0.12 -3.19 0.00 -1.26 -4.39 105.19 97.12 3gwa n GLY 120 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3gwa n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwa n SER 122 N -2.16 1.71 -0.20 0.00 3.41 -1.26 -3.05 113.62 112.06 3gwa n SER 122 Ca 0.01 -1.36 0.02 0.00 -0.26 0.00 0.00 58.87 57.28 3gwa n SER 122 Cb 0.16 0.19 0.27 0.00 -0.26 0.00 0.00 64.21 64.58 3gwa n SER 122 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gwa h GLY 123 N 4.86 1.03 0.88 5.00 0.00 -1.17 -2.94 103.07 110.73 3gwa h GLY 123 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3gwa h GLY 123 CO 0.00 0.34 -0.01 -1.82 0.00 0.00 0.00 176.54 175.06 3gwa h TYR 124 N 0.95 0.58 -0.27 5.60 3.20 -1.80 0.10 116.97 125.34 3gwa h TYR 124 Ca 0.28 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3gwa h TYR 124 Cb -0.03 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3gwa h TYR 124 CO -0.00 0.67 -0.01 0.28 -1.64 0.00 0.00 178.16 177.47 3gwa h VAL 125 N 0.32 1.26 -0.85 1.81 2.07 -1.89 -0.08 116.25 118.90 3gwa h VAL 125 Ca 0.08 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.71 3gwa h VAL 125 Cb 0.45 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3gwa h VAL 125 CO 0.02 0.30 0.54 1.88 0.02 0.00 0.00 177.57 180.32 3gwa h TYR 126 N 0.26 1.01 -0.70 1.57 0.05 -1.49 -1.75 116.97 115.91 3gwa h TYR 126 Ca 0.08 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.92 3gwa h TYR 126 Cb 0.43 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 3gwa h TYR 126 CO 0.04 0.56 0.43 0.78 -1.05 0.00 0.00 178.16 178.91 3gwa h GLY 127 N 1.03 1.03 1.19 3.88 0.00 -0.46 -1.85 103.07 107.89 3gwa h GLY 127 Ca 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3gwa h GLY 127 CO -0.13 0.24 0.34 1.41 0.00 0.00 0.00 176.54 178.40 3gwa h LEU 128 N 0.82 0.95 -0.79 3.11 3.38 -0.41 -0.73 115.31 121.64 3gwa h LEU 128 Ca 0.29 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3gwa h LEU 128 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3gwa h LEU 128 CO -0.14 0.81 0.37 0.77 0.09 0.00 0.00 178.44 180.34 3gwa h SER 129 N 1.04 1.04 -0.26 -0.43 4.64 -0.70 0.30 113.55 119.19 3gwa h SER 129 Ca 0.25 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 3gwa h SER 129 Cb 0.12 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3gwa h SER 129 CO -0.03 0.89 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.67 3gwa h LEU 130 N 1.12 0.51 -0.37 5.97 3.38 -0.96 -1.85 115.31 123.12 3gwa h LEU 130 Ca 0.27 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3gwa h LEU 130 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gwa h LEU 130 CO -0.03 0.77 0.21 0.00 0.09 0.00 0.00 178.44 179.48 3gwa h ALA 131 N 0.75 0.47 -0.48 1.53 0.00 -0.97 -1.32 119.26 119.25 3gwa h ALA 131 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3gwa h ALA 131 Cb 0.56 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3gwa h ALA 131 CO 0.03 -0.02 0.26 -0.22 0.00 0.00 0.00 179.25 179.30 3gwa h LYS 132 N 0.47 0.49 -0.42 0.00 3.64 -0.95 -1.38 116.57 118.42 3gwa h LYS 132 Ca 0.13 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3gwa h LYS 132 Cb 0.04 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 3gwa h LYS 132 CO -0.02 0.32 0.14 0.78 -2.27 0.00 0.00 179.45 178.40 3gwa h GLY 133 N 0.50 0.54 0.97 5.01 0.00 -0.97 0.52 103.07 109.65 3gwa h GLY 133 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3gwa h GLY 133 CO -0.13 0.02 0.13 1.41 0.00 0.00 0.00 176.54 177.97 3gwa h LEU 134 N 0.30 0.74 -0.15 3.11 3.38 -0.94 -2.48 115.31 119.27 3gwa h LEU 134 Ca 0.20 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3gwa h LEU 134 Cb 0.19 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3gwa h LEU 134 CO -0.21 0.77 -0.05 0.58 0.09 0.00 0.00 178.44 179.63 3gwa h VAL 135 N 0.68 1.30 -0.00 1.22 2.07 -0.94 -0.20 116.25 120.37 3gwa h VAL 135 Ca 0.16 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3gwa h VAL 135 Cb 0.31 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3gwa h VAL 135 CO -0.00 0.30 -0.02 -0.62 0.02 0.00 0.00 177.57 177.25 3gwa n GLU 136 N -4.67 0.31 -0.13 1.57 1.02 0.15 -1.87 120.64 117.02 3gwa n GLU 136 Ca -0.06 -0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.18 3gwa n GLU 136 Cb 0.27 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.36 3gwa n GLU 136 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gwa n THR 137 N -1.33 0.38 -1.05 2.62 -2.24 -0.94 -4.73 114.28 107.00 3gwa n THR 137 Ca 0.12 -0.69 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 3gwa n THR 137 Cb 0.27 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 3gwa n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gwa n GLY 138 N 1.31 0.52 0.21 3.38 0.00 -0.78 -4.91 105.19 104.92 3gwa n GLY 138 Ca 0.16 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3gwa n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwa h ALA 139 N 0.00 0.94 -2.28 4.61 0.00 -1.26 -3.46 119.26 117.81 3gwa h ALA 139 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3gwa h ALA 139 Cb 0.27 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.82 3gwa h ALA 139 CO 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 3gwa s ALA 140 N -3.41 -1.32 -0.28 0.00 0.00 -1.04 -4.99 121.76 110.73 3gwa s ALA 140 Ca 0.03 1.01 0.13 0.00 0.00 0.00 0.00 51.96 53.13 3gwa s ALA 140 Cb 0.08 -0.17 -0.18 0.00 0.00 0.00 0.00 23.12 22.85 3gwa s ALA 140 CO 0.65 -0.31 0.41 0.54 0.00 0.00 0.00 175.76 177.05 3gwa n ARG 141 N 1.46 1.40 -3.35 0.00 1.74 -1.26 -3.98 116.66 112.68 3gwa n ARG 141 Ca -0.19 -0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 56.68 3gwa n ARG 141 Cb 0.56 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 3gwa n ARG 141 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gwa s VAL 143 N 1.82 5.05 -0.55 0.00 1.01 0.25 -1.71 120.40 126.26 3gwa s VAL 143 Ca 0.14 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 3gwa s VAL 143 Cb -0.14 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.41 3gwa s VAL 143 CO -0.14 0.14 0.72 -0.22 0.00 0.00 0.00 175.10 175.60 3gwa s LEU 144 N 1.81 4.94 -0.36 3.92 2.96 0.75 -0.73 118.68 131.97 3gwa s LEU 144 Ca 0.27 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.98 3gwa s LEU 144 Cb -0.16 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 3gwa s LEU 144 CO 0.10 -1.05 0.52 -0.22 -1.32 0.00 0.00 176.35 174.38 3gwa s LEU 145 N 2.94 4.38 -0.09 -0.68 2.96 0.33 -1.17 118.68 127.35 3gwa s LEU 145 Ca 0.16 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3gwa s LEU 145 Cb -0.20 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3gwa s LEU 145 CO 0.11 -0.51 -0.06 -0.76 -1.32 0.00 0.00 176.35 173.81 3gwa s LEU 146 N 2.41 3.19 0.01 -0.68 1.43 0.81 -0.39 118.68 125.45 3gwa s LEU 146 Ca 0.19 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.32 3gwa s LEU 146 Cb -0.15 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3gwa s LEU 146 CO 0.14 0.32 -0.25 0.42 0.23 0.00 0.00 176.35 177.20 3gwa s THR 147 N -0.52 2.03 -0.28 5.49 -4.23 -0.59 -0.34 115.64 117.20 3gwa s THR 147 Ca 0.08 -1.21 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 3gwa s THR 147 Cb -0.12 -1.71 0.09 0.00 1.34 0.00 0.00 72.50 72.10 3gwa s THR 147 CO 0.02 0.46 0.77 0.00 -0.54 0.00 0.00 174.62 175.33 3gwa s ALA 148 N -0.69 -1.89 0.01 3.99 0.00 -0.66 -0.46 121.76 122.05 3gwa s ALA 148 Ca 0.10 2.19 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 3gwa s ALA 148 Cb -0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 3gwa s ALA 148 CO 0.00 -0.35 0.06 -0.51 0.00 0.00 0.00 175.76 174.97 3gwa s ASP 149 N 0.97 0.11 -0.48 0.00 1.01 -0.74 -4.08 116.67 113.45 3gwa s ASP 149 Ca -0.05 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 52.99 3gwa s ASP 149 Cb -0.05 0.16 0.29 0.00 1.01 0.00 0.00 42.92 44.32 3gwa s ASP 149 CO -0.10 -0.31 0.70 0.35 0.21 0.00 0.00 175.17 176.02 3gwa n THR 150 N 1.65 0.86 0.20 -1.27 -2.24 -1.26 -2.51 114.28 109.72 3gwa n THR 150 Ca -0.22 -4.72 0.16 0.00 -2.27 0.00 0.00 64.05 56.99 3gwa n THR 150 Cb 0.56 -1.53 0.80 0.00 -2.10 0.00 0.00 70.33 68.06 3gwa n THR 150 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3gwa h TYR 151 N 3.66 0.00 -0.91 4.78 -1.99 -1.96 -2.25 116.97 118.30 3gwa h TYR 151 Ca 0.12 0.00 0.25 0.00 2.00 0.00 0.00 58.73 61.10 3gwa h TYR 151 Cb 0.78 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.46 3gwa h TYR 151 CO 0.56 0.00 0.63 0.66 -0.00 0.00 0.00 178.16 180.01 3gwa h SER 152 N 0.00 0.13 0.86 3.88 4.64 -1.90 -1.66 113.55 119.51 3gwa h SER 152 Ca 0.08 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3gwa h SER 152 Cb 0.41 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gwa h SER 152 CO -0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 3gwa n LYS 153 N -4.35 0.22 -0.41 4.77 5.02 -0.84 -3.13 118.16 119.43 3gwa n LYS 153 Ca 0.19 0.40 0.06 0.00 -2.02 0.00 0.00 58.31 56.94 3gwa n LYS 153 Cb 0.89 -1.89 0.10 0.00 -0.02 0.00 0.00 35.03 34.11 3gwa n LYS 153 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3gwa n TYR 154 N -2.29 0.00 -3.22 2.13 4.11 -0.64 -5.02 117.16 112.23 3gwa n TYR 154 Ca 0.03 -0.72 -0.39 0.00 -0.00 0.00 0.00 57.90 56.82 3gwa n TYR 154 Cb 0.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 39.34 39.42 3gwa n TYR 154 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3gwa s LEU 155 N -1.78 4.37 0.26 -3.48 1.43 -1.14 0.12 118.68 118.47 3gwa s LEU 155 Ca 0.23 1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 3gwa s LEU 155 Cb 0.22 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 3gwa s LEU 155 CO -0.01 0.06 1.24 -2.28 0.23 0.00 0.00 176.35 175.58 3gwa s HIS 156 N 0.10 3.30 0.53 0.29 5.65 -1.26 -4.90 115.29 118.99 3gwa s HIS 156 Ca 0.30 1.44 0.30 0.00 0.25 0.00 0.00 55.06 57.36 3gwa s HIS 156 Cb -0.17 -3.52 1.45 0.00 -1.18 0.00 0.00 32.58 29.16 3gwa s HIS 156 CO 0.16 -1.43 1.89 -1.35 -0.65 0.00 0.00 174.74 173.36 3gwa h PRO 157 N 4.32 0.03 -0.38 2.88 0.11 -1.97 -1.54 132.00 135.46 3gwa h PRO 157 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gwa h PRO 157 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gwa h PRO 157 CO 0.70 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 3gwa n LEU 158 N -4.29 4.36 -4.37 2.35 4.77 -1.26 -4.81 117.00 113.74 3gwa n LEU 158 Ca 0.19 -2.88 -0.46 0.00 -0.03 0.00 0.00 56.01 52.83 3gwa n LEU 158 Cb 0.94 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3gwa n LEU 158 CO 0.38 0.68 0.59 -0.62 -1.33 0.00 0.00 177.39 177.08 3gwa s ASP 159 N -1.50 6.65 0.30 -1.43 -1.08 -0.58 -1.53 116.67 117.50 3gwa s ASP 159 Ca 0.45 -2.34 0.04 0.00 -0.52 0.00 0.00 52.55 50.17 3gwa s ASP 159 Cb 0.34 -2.28 0.48 0.00 -1.46 0.00 0.00 42.92 40.00 3gwa s ASP 159 CO 0.12 -0.78 1.76 0.11 0.52 0.00 0.00 175.17 176.90 3gwa h LYS 160 N 8.28 0.44 -0.19 4.34 1.57 -1.87 -2.26 116.57 126.87 3gwa h LYS 160 Ca 0.07 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3gwa h LYS 160 Cb 1.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3gwa h LYS 160 CO 0.90 0.64 0.10 0.66 -0.57 0.00 0.00 179.45 181.19 3gwa h SER 161 N 0.39 0.22 0.00 0.86 4.64 -1.97 -2.58 113.55 115.11 3gwa h SER 161 Ca 0.06 -0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 61.00 3gwa h SER 161 Cb 0.61 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.58 3gwa h SER 161 CO 0.04 0.18 -2.39 1.33 -0.87 0.00 0.00 176.83 175.12 3gwa n VAL 162 N -4.49 1.40 0.23 0.95 0.24 -1.14 -4.34 118.33 111.18 3gwa n VAL 162 Ca -0.00 -0.61 0.07 0.00 -2.04 0.00 0.00 64.34 61.76 3gwa n VAL 162 Cb 0.09 -1.17 0.54 0.00 -1.47 0.00 0.00 33.84 31.83 3gwa n VAL 162 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3gwa h ARG 163 N 0.00 0.00 0.00 7.34 3.08 -1.40 -0.71 114.38 122.69 3gwa h ARG 163 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3gwa h ARG 163 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.99 3gwa h ARG 163 CO -0.06 0.22 0.00 1.79 -1.07 0.00 0.00 179.97 180.86 3gwa h THR 164 N 0.00 0.00 0.00 2.04 1.35 -1.69 -3.38 112.91 111.23 3gwa h THR 164 Ca -0.00 -0.52 -0.45 0.00 -0.55 0.00 0.00 66.41 64.89 3gwa h THR 164 Cb 0.47 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 68.26 3gwa h THR 164 CO 0.03 0.00 -2.49 0.18 -0.25 0.00 0.00 175.52 172.99 3gwa n LEU 165 N -2.65 1.96 -4.77 3.87 4.77 -0.37 -4.87 117.00 114.93 3gwa n LEU 165 Ca 0.03 0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 3gwa n LEU 165 Cb 0.36 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 3gwa n LEU 165 CO 0.27 0.55 0.34 -0.36 -1.33 0.00 0.00 177.39 176.86 3gwa s PHE 166 N -2.52 3.75 0.30 -1.77 0.08 -0.59 -1.23 117.98 115.99 3gwa s PHE 166 Ca -0.38 1.32 0.11 0.00 0.12 0.00 0.00 56.93 58.10 3gwa s PHE 166 Cb 0.14 -2.64 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 3gwa s PHE 166 CO 0.49 0.41 -0.16 0.20 -0.10 0.00 0.00 175.22 176.06 3gwa s GLY 167 N -0.48 1.96 0.16 4.36 0.00 0.03 -4.81 107.32 108.54 3gwa s GLY 167 Ca 0.33 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.10 3gwa s GLY 167 CO 0.20 -1.98 0.35 0.99 0.00 0.00 0.00 173.10 172.66 3gwa s ASP 168 N -3.53 6.40 0.00 1.64 1.01 0.85 -4.15 116.67 118.90 3gwa s ASP 168 Ca 0.30 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.97 3gwa s ASP 168 Cb -0.02 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.89 3gwa s ASP 168 CO 0.15 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.16 3gwa n GLY 169 N -0.31 0.45 3.35 0.21 0.00 -1.04 -4.55 105.19 103.30 3gwa n GLY 169 Ca -0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 3gwa n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwa s ALA 170 N -2.00 -0.31 0.13 4.61 0.00 -0.10 -1.80 121.76 122.29 3gwa s ALA 170 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 3gwa s ALA 170 Cb 0.00 0.79 -0.00 0.00 0.00 0.00 0.00 23.12 23.91 3gwa s ALA 170 CO 0.00 -0.66 0.26 -1.54 0.00 0.00 0.00 175.76 173.82 3gwa s SER 171 N -2.92 0.04 -0.05 0.00 1.04 0.39 -0.95 113.70 111.25 3gwa s SER 171 Ca 0.12 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3gwa s SER 171 Cb 0.03 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3gwa s SER 171 CO -0.03 -0.83 -0.02 0.00 0.98 0.00 0.00 173.24 173.34 3gwa s ALA 172 N -3.91 0.65 -0.05 5.32 0.00 0.60 -1.55 121.76 122.83 3gwa s ALA 172 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.06 3gwa s ALA 172 Cb 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3gwa s ALA 172 CO -0.06 -0.20 -0.21 0.99 0.00 0.00 0.00 175.76 176.29 3gwa s THR 173 N 1.34 1.73 -0.28 0.00 2.01 0.47 -0.85 115.64 120.06 3gwa s THR 173 Ca -0.05 -0.89 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 3gwa s THR 173 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3gwa s THR 173 CO -0.02 0.49 0.17 0.00 -0.69 0.00 0.00 174.62 174.57 3gwa s ALA 174 N -0.12 3.45 -0.30 7.40 0.00 -0.67 -0.51 121.76 131.00 3gwa s ALA 174 Ca -0.02 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 3gwa s ALA 174 Cb -0.12 -2.42 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3gwa s ALA 174 CO 0.02 -0.60 0.10 0.08 0.00 0.00 0.00 175.76 175.36 3gwa s VAL 175 N 1.72 4.12 0.29 0.00 1.01 0.09 -0.56 120.40 127.08 3gwa s VAL 175 Ca 0.07 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.53 3gwa s VAL 175 Cb -0.16 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3gwa s VAL 175 CO 0.09 0.07 -0.17 0.27 0.00 0.00 0.00 175.10 175.37 3gwa s ILE 176 N 1.53 2.44 0.06 2.22 -4.36 -0.38 -0.58 121.20 122.13 3gwa s ILE 176 Ca 0.03 -2.35 -0.30 0.00 -0.26 0.00 0.00 60.65 57.76 3gwa s ILE 176 Cb -0.17 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.10 3gwa s ILE 176 CO 0.03 -0.35 1.10 0.00 0.24 0.00 0.00 174.94 175.96 3gwa s ALA 177 N -2.53 3.30 0.12 2.27 0.00 -0.76 -1.59 121.76 122.57 3gwa s ALA 177 Ca 0.31 0.72 0.07 0.00 0.00 0.00 0.00 51.96 53.06 3gwa s ALA 177 Cb -0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3gwa s ALA 177 CO 0.15 -0.31 -0.18 -1.21 0.00 0.00 0.00 175.76 174.22 3gwa s GLU 178 N 0.79 1.09 -0.10 0.00 0.41 0.20 -4.91 118.70 116.19 3gwa s GLU 178 Ca 0.55 -1.21 -0.12 0.00 -0.41 0.00 0.00 54.97 53.77 3gwa s GLU 178 Cb -0.26 -1.17 -0.05 0.00 -1.78 0.00 0.00 34.13 30.87 3gwa s GLU 178 CO 0.30 0.25 0.29 -3.38 -0.49 0.00 0.00 175.26 172.23 3gwa s HIS 179 N -1.63 3.58 0.00 1.61 -0.00 -1.26 -0.87 115.29 116.72 3gwa s HIS 179 Ca 0.08 0.71 0.00 0.00 -0.00 0.00 0.00 55.06 55.85 3gwa s HIS 179 Cb -0.08 -2.23 0.00 0.00 -0.00 0.00 0.00 32.58 30.28 3gwa s HIS 179 CO 0.04 0.49 0.00 0.41 -0.00 0.00 0.00 174.74 175.68 3gwa n GLY 180 N 2.54 2.53 2.76 -1.38 0.00 -1.26 -5.01 105.19 105.37 3gwa n GLY 180 Ca -0.15 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3gwa n GLY 180 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gwa n GLU 181 N -0.94 3.89 -3.67 1.61 0.28 -1.26 -4.89 120.64 115.67 3gwa n GLU 181 Ca 0.00 -4.32 -0.10 0.00 -0.16 0.00 0.00 57.16 52.58 3gwa n GLU 181 Cb 0.00 -2.33 -0.09 0.00 1.43 0.00 0.00 31.44 30.45 3gwa n GLU 181 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3gwa s LEU 182 N -3.98 -0.39 -0.46 -1.84 2.96 -1.26 -5.12 118.68 108.60 3gwa s LEU 182 Ca 0.46 1.16 -0.29 0.00 -0.22 0.00 0.00 54.13 55.24 3gwa s LEU 182 Cb 0.32 1.84 0.02 0.00 0.50 0.00 0.00 46.19 48.87 3gwa s LEU 182 CO -0.23 -0.21 1.24 -0.70 -1.32 0.00 0.00 176.35 175.13 3gwa s GLU 183 N 1.20 3.67 0.06 1.98 2.12 -1.26 -4.89 118.70 121.59 3gwa s GLU 183 Ca -0.07 0.69 0.13 0.00 0.36 0.00 0.00 54.97 56.07 3gwa s GLU 183 Cb -0.06 -3.95 -0.16 0.00 0.26 0.00 0.00 34.13 30.21 3gwa s GLU 183 CO -0.12 -1.46 0.95 0.00 -0.54 0.00 0.00 175.26 174.10 3gwa h ARG 184 N 9.77 0.00 -4.35 4.30 2.47 -1.86 -3.40 114.38 121.31 3gwa h ARG 184 Ca -0.25 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.96 3gwa h ARG 184 Cb 1.08 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.04 3gwa h ARG 184 CO 1.11 0.56 -0.81 0.42 0.56 0.00 0.00 179.97 181.82 3gwa s ILE 185 N -2.76 1.05 0.00 2.04 1.01 -1.22 -0.79 121.20 120.53 3gwa s ILE 185 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3gwa s ILE 185 Cb 0.09 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.54 3gwa s ILE 185 CO 0.81 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.72 3gwa n GLY 186 N 4.41 2.46 3.50 6.18 0.00 0.42 -4.96 105.19 117.19 3gwa n GLY 186 Ca -0.18 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 3gwa n GLY 186 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gwa n PRO 187 N -0.03 -1.46 -4.35 1.61 -0.04 -1.26 -4.31 135.00 125.17 3gwa n PRO 187 Ca 0.00 -1.85 -0.26 0.00 -0.04 0.00 0.00 63.50 61.35 3gwa n PRO 187 Cb 0.00 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 3gwa n PRO 187 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gwa s PHE 188 N -3.55 2.06 0.07 0.54 0.08 -1.26 -2.37 117.98 113.56 3gwa s PHE 188 Ca 0.69 -0.40 0.09 0.00 0.12 0.00 0.00 56.93 57.43 3gwa s PHE 188 Cb -0.02 -1.11 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3gwa s PHE 188 CO 0.49 0.29 -0.24 0.14 -0.10 0.00 0.00 175.22 175.80 3gwa s VAL 189 N -1.19 1.93 0.19 -0.44 -7.23 -0.21 -4.99 120.40 108.46 3gwa s VAL 189 Ca 0.11 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 3gwa s VAL 189 Cb -0.10 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 3gwa s VAL 189 CO 0.06 0.19 -0.15 -0.36 -0.31 0.00 0.00 175.10 174.52 3gwa s PHE 190 N -0.91 1.74 -0.11 2.82 0.08 -1.26 -1.18 117.98 119.16 3gwa s PHE 190 Ca 0.10 -0.54 -0.18 0.00 0.12 0.00 0.00 56.93 56.43 3gwa s PHE 190 Cb -0.10 -0.82 0.04 0.00 -0.57 0.00 0.00 43.02 41.57 3gwa s PHE 190 CO 0.03 0.36 0.45 0.20 -0.10 0.00 0.00 175.22 176.16 3gwa s GLY 191 N -3.13 -0.33 -0.10 4.36 0.00 0.84 -4.93 107.32 104.04 3gwa s GLY 191 Ca 0.20 1.04 -0.06 0.00 0.00 0.00 0.00 44.72 45.91 3gwa s GLY 191 CO 0.07 0.83 0.24 -1.59 0.00 0.00 0.00 173.10 172.64 3gwa s THR 192 N -0.39 -0.03 -0.34 0.90 2.01 -1.26 -1.12 115.64 115.41 3gwa s THR 192 Ca -0.05 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3gwa s THR 192 Cb -0.03 -0.36 0.14 0.00 0.01 0.00 0.00 72.50 72.25 3gwa s THR 192 CO 0.03 0.05 0.25 -0.62 -0.69 0.00 0.00 174.62 173.64 3gwa s ASP 193 N 1.05 2.40 0.06 3.53 -1.08 -0.21 -4.99 116.67 117.43 3gwa s ASP 193 Ca -0.08 -1.64 0.11 0.00 -0.52 0.00 0.00 52.55 50.42 3gwa s ASP 193 Cb -0.09 0.01 0.49 0.00 -1.46 0.00 0.00 42.92 41.86 3gwa s ASP 193 CO -0.07 -0.33 1.34 0.61 0.52 0.00 0.00 175.17 177.24 3gwa n GLY 194 N 4.52 -0.84 0.31 2.66 0.00 -1.26 -0.73 105.19 109.85 3gwa n GLY 194 Ca 0.06 0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.28 3gwa n GLY 194 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gwa h ARG 195 N 0.00 0.00 -0.00 1.61 3.08 -1.94 -2.17 114.38 114.96 3gwa h ARG 195 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gwa h ARG 195 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3gwa h ARG 195 CO 0.00 0.02 -0.01 0.41 -1.07 0.00 0.00 179.97 179.31 3gwa n GLY 196 N -0.62 -1.28 0.24 0.04 0.00 -0.59 -4.33 105.19 98.66 3gwa n GLY 196 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3gwa n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwa h ALA 197 N 3.40 0.44 0.00 4.61 0.00 -1.27 -0.85 119.26 125.59 3gwa h ALA 197 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gwa h ALA 197 Cb 0.31 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gwa h ALA 197 CO 0.00 -0.42 0.00 -2.30 0.00 0.00 0.00 179.25 176.53 3gwa n PRO 198 N -5.42 0.03 0.00 0.00 -0.02 -1.26 -2.82 135.00 125.51 3gwa n PRO 198 Ca 0.08 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3gwa n PRO 198 Cb 0.33 -1.55 0.31 0.00 -0.02 0.00 0.00 33.50 32.57 3gwa n PRO 198 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gwa n ASN 199 N -1.60 0.64 -3.20 2.55 3.02 -0.33 -4.64 115.26 111.70 3gwa n ASN 199 Ca 0.02 -0.43 -0.00 0.00 -0.03 0.00 0.00 54.58 54.14 3gwa n ASN 199 Cb 0.14 0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.46 3gwa n ASN 199 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gwa s LEU 200 N -2.83 -1.30 -0.25 3.41 2.96 -1.13 -0.70 118.68 118.84 3gwa s LEU 200 Ca 0.16 0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 54.01 3gwa s LEU 200 Cb 0.18 1.76 0.08 0.00 0.50 0.00 0.00 46.19 48.71 3gwa s LEU 200 CO 0.63 -0.30 0.77 -0.51 -1.32 0.00 0.00 176.35 175.62 3gwa s ILE 201 N 2.74 0.00 -0.45 6.68 2.07 -0.53 -4.64 121.20 127.06 3gwa s ILE 201 Ca 0.12 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.27 3gwa s ILE 201 Cb -0.12 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.57 3gwa s ILE 201 CO -0.25 0.00 0.31 -0.69 -1.91 0.00 0.00 174.94 172.40 3gwa s VAL 202 N 0.22 4.31 0.00 4.00 1.01 -1.26 -0.69 120.40 127.98 3gwa s VAL 202 Ca -0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 3gwa s VAL 202 Cb -0.05 -3.73 -0.19 0.00 0.00 0.00 0.00 36.38 32.41 3gwa s VAL 202 CO 0.00 -0.65 1.20 0.50 0.00 0.00 0.00 175.10 176.16 3gwa h LYS 203 N 8.46 0.29 -6.13 2.72 3.64 -1.74 -3.46 116.57 120.36 3gwa h LYS 203 Ca -0.23 -0.22 -0.64 0.00 -1.27 0.00 0.00 60.65 58.29 3gwa h LYS 203 Cb 1.08 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.84 3gwa h LYS 203 CO 0.82 0.84 -0.60 0.00 -2.27 0.00 0.00 179.45 178.25 3gwa s ALA 204 N -3.75 3.56 0.00 5.00 0.00 -0.11 -4.27 121.76 122.19 3gwa s ALA 204 Ca -0.15 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3gwa s ALA 204 Cb 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3gwa s ALA 204 CO 0.76 0.73 0.00 0.41 0.00 0.00 0.00 175.76 177.65 3gwa n GLY 205 N 0.72 1.53 0.00 0.00 0.00 -0.40 -4.57 105.19 102.47 3gwa n GLY 205 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3gwa n GLY 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gwa n LEU 206 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.77 117.00 116.73 3gwa n LEU 206 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3gwa n LEU 206 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3gwa n LEU 206 CO 0.00 0.00 -0.66 0.49 -1.33 0.00 0.00 177.39 175.89 3gwa n PHE 207 N 0.00 0.12 -0.06 -1.77 3.72 -1.26 -2.96 117.46 115.24 3gwa n PHE 207 Ca 0.00 0.03 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 3gwa n PHE 207 Cb 0.00 -0.55 -0.06 0.00 -0.94 0.00 0.00 39.48 37.92 3gwa n PHE 207 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3gwa h ARG 208 N 0.00 0.50 -2.60 -1.08 9.65 -1.98 -3.41 114.38 115.46 3gwa h ARG 208 Ca 0.00 -0.29 -0.59 0.00 -1.10 0.00 0.00 59.98 58.00 3gwa h ARG 208 Cb 1.00 0.03 -0.39 0.00 -1.39 0.00 0.00 29.97 29.21 3gwa h ARG 208 CO 0.00 0.89 -0.86 -2.00 2.80 0.00 0.00 179.97 180.80 3gwa s GLU 209 N -4.17 0.77 0.68 0.20 2.12 -1.26 -5.11 118.70 111.94 3gwa s GLU 209 Ca -0.13 -1.65 -0.17 0.00 0.36 0.00 0.00 54.97 53.38 3gwa s GLU 209 Cb 0.06 -1.52 -0.00 0.00 0.26 0.00 0.00 34.13 32.94 3gwa s GLU 209 CO 0.79 -1.25 1.14 -2.30 -0.54 0.00 0.00 175.26 173.10 3gwa n PRO 210 N 3.65 0.80 -1.76 4.30 -0.02 -1.16 -1.27 135.00 139.54 3gwa n PRO 210 Ca 0.16 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 3gwa n PRO 210 Cb 0.39 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3gwa n PRO 210 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gwa n LYS 211 N -1.91 2.12 -3.09 -0.52 5.02 -1.26 -4.66 118.16 113.86 3gwa n LYS 211 Ca 0.15 0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 57.11 3gwa n LYS 211 Cb 0.49 -2.62 -0.02 0.00 -0.02 0.00 0.00 35.03 32.86 3gwa n LYS 211 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gwa n SER 212 N -0.40 -0.95 -0.16 4.39 3.41 -1.26 -5.01 113.62 113.64 3gwa n SER 212 Ca 0.06 -2.21 -0.08 0.00 -0.26 0.00 0.00 58.87 56.39 3gwa n SER 212 Cb 0.42 1.75 0.01 0.00 -0.26 0.00 0.00 64.21 66.13 3gwa n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gwa h ALA 213 N 1.84 0.60 -0.79 7.33 0.00 -2.00 -2.95 119.26 123.30 3gwa h ALA 213 Ca -0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gwa h ALA 213 Cb 0.77 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3gwa h ALA 213 CO 0.24 0.08 0.42 -0.44 0.00 0.00 0.00 179.25 179.55 3gwa h ASP 214 N 0.63 0.98 1.19 0.00 3.32 -1.98 -2.85 116.42 117.71 3gwa h ASP 214 Ca 0.17 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3gwa h ASP 214 Cb -0.03 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 3gwa h ASP 214 CO -0.03 0.79 -0.03 0.77 -1.72 0.00 0.00 179.24 179.02 3gwa h SER 215 N 1.10 0.00 0.43 6.45 4.64 -1.90 -2.70 113.55 121.57 3gwa h SER 215 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3gwa h SER 215 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3gwa h SER 215 CO -0.04 0.03 -0.38 0.00 -0.87 0.00 0.00 176.83 175.57 3gwa n ALA 216 N -2.11 3.30 -2.10 5.18 0.00 -1.08 -2.48 120.51 121.22 3gwa n ALA 216 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3gwa n ALA 216 Cb 0.36 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3gwa n ALA 216 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gwa s ARG 217 N -2.82 4.31 0.14 0.00 0.52 -1.02 -4.92 118.95 115.17 3gwa s ARG 217 Ca 0.16 2.13 -0.24 0.00 -0.52 0.00 0.00 55.73 57.26 3gwa s ARG 217 Cb 0.18 -3.22 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 3gwa s ARG 217 CO 0.62 -0.44 0.74 -1.21 0.02 0.00 0.00 175.30 175.03 3gwa s GLU 218 N 0.91 4.50 -0.01 3.54 2.02 -1.26 -4.37 118.70 124.03 3gwa s GLU 218 Ca 0.64 1.08 0.01 0.00 0.02 0.00 0.00 54.97 56.73 3gwa s GLU 218 Cb -0.38 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.59 3gwa s GLU 218 CO 0.32 0.57 -0.03 -1.01 0.02 0.00 0.00 175.26 175.13 3gwa s HIS 219 N -1.08 0.38 -0.22 1.61 3.76 -0.48 -4.99 115.29 114.26 3gwa s HIS 219 Ca 0.35 -0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 55.11 3gwa s HIS 219 Cb -0.22 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 3gwa s HIS 219 CO 0.25 -0.06 0.10 -2.00 -0.85 0.00 0.00 174.74 172.18 3gwa s GLU 220 N 0.34 3.94 0.85 1.40 2.12 -1.26 -2.09 118.70 124.00 3gwa s GLU 220 Ca -0.03 -0.35 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 3gwa s GLU 220 Cb -0.07 -3.37 0.17 0.00 0.26 0.00 0.00 34.13 31.13 3gwa s GLU 220 CO -0.01 0.08 1.16 0.16 -0.54 0.00 0.00 175.26 176.11 3gwa s ASP 221 N 0.94 3.67 0.12 -1.70 1.47 0.30 -4.93 116.67 116.54 3gwa s ASP 221 Ca 0.05 -0.15 0.16 0.00 1.18 0.00 0.00 52.55 53.80 3gwa s ASP 221 Cb -0.14 -0.02 0.71 0.00 -0.34 0.00 0.00 42.92 43.14 3gwa s ASP 221 CO 0.03 -2.34 1.50 0.00 0.68 0.00 0.00 175.17 175.05 3gwa n ALA 222 N -3.30 1.50 0.36 2.11 0.00 -1.26 -1.57 120.51 118.35 3gwa n ALA 222 Ca 0.16 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.75 3gwa n ALA 222 Cb 0.60 -1.26 0.21 0.00 0.00 0.00 0.00 19.45 18.99 3gwa n ALA 222 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gwa n SER 223 N -1.84 3.45 0.00 0.00 7.64 -1.26 -4.95 113.62 116.66 3gwa n SER 223 Ca 0.02 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3gwa n SER 223 Cb 0.15 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3gwa n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gwa n GLY 224 N 1.50 0.69 3.74 0.23 0.00 -0.61 -5.04 105.19 105.69 3gwa n GLY 224 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3gwa n GLY 224 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gwa s ASN 225 N -2.20 7.21 -0.10 1.61 0.01 -1.26 -4.82 114.94 115.39 3gwa s ASN 225 Ca 0.00 1.45 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 3gwa s ASN 225 Cb 0.00 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 3gwa s ASN 225 CO 0.00 -0.00 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.85 3gwa s VAL 226 N 0.03 3.91 0.33 1.60 1.01 -0.58 -0.54 120.40 126.16 3gwa s VAL 226 Ca 0.39 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 3gwa s VAL 226 Cb -0.20 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.56 3gwa s VAL 226 CO 0.23 0.57 0.66 0.00 0.00 0.00 0.00 175.10 176.56 3gwa s ARG 227 N -0.50 1.96 0.35 2.72 1.70 -0.89 -2.78 118.95 121.50 3gwa s ARG 227 Ca 0.08 -1.37 0.04 0.00 -0.47 0.00 0.00 55.73 54.01 3gwa s ARG 227 Cb -0.12 0.56 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 3gwa s ARG 227 CO 0.02 -0.88 0.06 0.95 -1.08 0.00 0.00 175.30 174.37 3gwa s THR 228 N -3.10 1.24 -0.83 4.99 -4.23 -1.26 -1.38 115.64 111.06 3gwa s THR 228 Ca 0.19 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.85 3gwa s THR 228 Cb -0.04 -2.77 0.14 0.00 1.34 0.00 0.00 72.50 71.17 3gwa s THR 228 CO 0.12 0.00 1.47 0.47 -0.54 0.00 0.00 174.62 176.14 3gwa n ASP 229 N -0.78 0.20 -0.12 3.99 8.00 -1.03 -1.59 116.55 125.21 3gwa n ASP 229 Ca -0.03 0.56 0.13 0.00 0.71 0.00 0.00 54.79 56.15 3gwa n ASP 229 Cb 0.67 -0.59 0.44 0.00 -0.02 0.00 0.00 41.12 41.61 3gwa n ASP 229 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gwa n GLU 230 N -1.72 0.50 -3.92 -1.24 1.02 -1.15 -0.93 120.64 113.19 3gwa n GLU 230 Ca 0.02 -0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 56.71 3gwa n GLU 230 Cb 0.15 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3gwa n GLU 230 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gwa s HIS 231 N -2.67 2.79 0.22 -0.32 3.76 -0.62 -4.86 115.29 113.60 3gwa s HIS 231 Ca 0.21 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 3gwa s HIS 231 Cb 0.19 -1.77 -0.11 0.00 1.11 0.00 0.00 32.58 32.00 3gwa s HIS 231 CO 0.55 0.22 1.58 -1.17 -0.85 0.00 0.00 174.74 175.07 3gwa s LEU 232 N -3.94 4.37 -0.13 0.89 2.96 0.12 -4.46 118.68 118.48 3gwa s LEU 232 Ca 0.40 2.77 -0.01 0.00 -0.22 0.00 0.00 54.13 57.07 3gwa s LEU 232 Cb -0.04 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3gwa s LEU 232 CO 0.25 -0.85 -0.11 -0.47 -1.32 0.00 0.00 176.35 173.85 3gwa s TYR 233 N 0.61 2.86 -0.14 5.38 5.04 0.13 -4.81 117.35 126.42 3gwa s TYR 233 Ca 0.67 -0.50 -0.00 0.00 -2.44 0.00 0.00 57.07 54.80 3gwa s TYR 233 Cb -0.46 -1.85 0.03 0.00 0.35 0.00 0.00 41.96 40.04 3gwa s TYR 233 CO 0.38 -0.12 -0.08 1.41 -1.34 0.00 0.00 175.55 175.80 3gwa s MET 234 N 0.22 1.65 -0.83 4.97 -2.45 -1.26 -1.46 119.30 120.15 3gwa s MET 234 Ca -0.07 -0.40 -0.22 0.00 -1.25 0.00 0.00 55.69 53.75 3gwa s MET 234 Cb -0.15 -1.82 0.08 0.00 1.25 0.00 0.00 34.83 34.19 3gwa s MET 234 CO 0.05 -0.31 1.16 1.21 1.05 0.00 0.00 175.02 178.17 3gwa s ASN 235 N 1.64 6.37 0.19 1.11 3.84 0.12 -4.91 114.94 123.30 3gwa s ASN 235 Ca 0.04 -1.32 -0.11 0.00 0.21 0.00 0.00 52.86 51.67 3gwa s ASN 235 Cb -0.13 -2.46 0.18 0.00 -0.55 0.00 0.00 41.25 38.28 3gwa s ASN 235 CO -0.09 -1.40 1.79 1.23 -2.79 0.00 0.00 177.10 175.85 3gwa h GLY 236 N 11.62 0.82 0.99 1.21 0.00 -1.98 -1.79 103.07 113.95 3gwa h GLY 236 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3gwa h GLY 236 CO 1.23 0.13 0.30 0.00 0.00 0.00 0.00 176.54 178.20 3gwa h ALA 237 N 1.31 0.76 -0.43 3.60 0.00 -1.98 -1.50 119.26 121.01 3gwa h ALA 237 Ca 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3gwa h ALA 237 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gwa h ALA 237 CO -0.17 0.30 0.03 0.93 0.00 0.00 0.00 179.25 180.34 3gwa h GLU 238 N 0.80 0.73 -0.73 0.00 4.39 -1.89 -1.76 114.58 116.13 3gwa h GLU 238 Ca 0.20 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 3gwa h GLU 238 Cb 0.08 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3gwa h GLU 238 CO -0.03 0.79 0.22 0.28 -1.16 0.00 0.00 179.01 179.11 3gwa h VAL 239 N 0.58 1.26 -0.35 3.13 2.07 -1.21 -0.13 116.25 121.60 3gwa h VAL 239 Ca 0.12 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3gwa h VAL 239 Cb 0.44 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3gwa h VAL 239 CO 0.02 0.36 0.14 -0.03 0.02 0.00 0.00 177.57 178.07 3gwa h MET 240 N 1.08 0.53 -0.30 1.57 1.85 -1.19 -0.56 114.93 117.91 3gwa h MET 240 Ca 0.23 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 3gwa h MET 240 Cb 0.31 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3gwa h MET 240 CO -0.01 0.52 0.18 0.00 -0.40 0.00 0.00 176.91 177.21 3gwa h ALA 241 N 0.98 0.38 -0.25 0.39 0.00 -1.07 -0.47 119.26 119.22 3gwa h ALA 241 Ca 0.12 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3gwa h ALA 241 Cb 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3gwa h ALA 241 CO -0.01 -0.13 -0.11 0.35 0.00 0.00 0.00 179.25 179.35 3gwa h PHE 242 N 0.38 -0.25 -0.43 0.00 3.57 -0.94 -0.96 116.94 118.32 3gwa h PHE 242 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3gwa h PHE 242 Cb -0.01 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3gwa h PHE 242 CO -0.05 -0.17 0.24 0.77 -2.23 0.00 0.00 178.31 176.88 3gwa h SER 243 N -0.07 0.54 0.20 0.41 0.02 -0.71 -0.58 113.55 113.37 3gwa h SER 243 Ca 0.13 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3gwa h SER 243 Cb 0.26 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3gwa h SER 243 CO -0.30 0.47 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.54 3gwa h LEU 244 N 0.57 0.09 0.10 5.07 3.38 -0.94 -1.94 115.31 121.63 3gwa h LEU 244 Ca 0.15 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.82 3gwa h LEU 244 Cb 0.04 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.80 3gwa h LEU 244 CO -0.03 0.35 -1.14 0.00 0.09 0.00 0.00 178.44 177.71 3gwa h ALA 245 N 1.66 0.01 0.00 1.53 0.00 -0.62 -3.41 119.26 118.43 3gwa h ALA 245 Ca 0.01 -0.74 -0.34 0.00 0.00 0.00 0.00 54.91 53.84 3gwa h ALA 245 Cb 0.49 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3gwa h ALA 245 CO 0.04 0.64 -2.27 0.39 0.00 0.00 0.00 179.25 178.04 3gwa n GLU 246 N -3.86 0.94 0.02 0.00 -0.58 -0.28 -4.36 120.64 112.53 3gwa n GLU 246 Ca -0.13 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.49 3gwa n GLU 246 Cb 0.94 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 30.24 3gwa n GLU 246 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gwa h VAL 247 N 0.00 1.21 -0.93 2.62 2.07 -1.55 -0.35 116.25 119.32 3gwa h VAL 247 Ca -0.50 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.04 3gwa h VAL 247 Cb 2.10 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 3gwa h VAL 247 CO 0.01 0.24 0.61 -0.65 0.02 0.00 0.00 177.57 177.80 3gwa h PRO 248 N -0.53 1.22 -0.60 1.57 0.11 -1.79 -1.31 132.00 130.67 3gwa h PRO 248 Ca -0.01 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3gwa h PRO 248 Cb 0.46 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3gwa h PRO 248 CO 0.01 0.82 0.33 -0.09 -0.21 0.00 0.00 178.00 178.86 3gwa h ARG 249 N 1.26 0.83 -0.55 1.05 2.43 -1.75 -1.65 114.38 116.00 3gwa h ARG 249 Ca 0.34 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3gwa h ARG 249 Cb -0.13 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 3gwa h ARG 249 CO -0.07 0.63 0.31 0.00 -1.51 0.00 0.00 179.97 179.33 3gwa h ALA 250 N 1.16 0.71 -0.46 2.80 0.00 -0.49 -0.45 119.26 122.53 3gwa h ALA 250 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gwa h ALA 250 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3gwa h ALA 250 CO -0.03 0.22 0.29 0.00 0.00 0.00 0.00 179.25 179.72 3gwa h ALA 251 N 1.14 0.58 -0.55 0.00 0.00 -1.00 -0.69 119.26 118.74 3gwa h ALA 251 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gwa h ALA 251 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gwa h ALA 251 CO -0.03 -0.00 0.25 -0.44 0.00 0.00 0.00 179.25 179.03 3gwa h ASP 252 N 0.59 0.73 -0.67 0.00 3.32 -1.03 -1.62 116.42 117.73 3gwa h ASP 252 Ca 0.17 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3gwa h ASP 252 Cb -0.04 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 3gwa h ASP 252 CO -0.06 0.67 0.40 0.03 -1.72 0.00 0.00 179.24 178.56 3gwa h ARG 253 N 0.74 0.75 -0.43 3.56 3.08 -0.82 -1.30 114.38 119.95 3gwa h ARG 253 Ca 0.19 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3gwa h ARG 253 Cb 0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3gwa h ARG 253 CO -0.02 0.49 0.12 1.25 -1.07 0.00 0.00 179.97 180.74 3gwa h LEU 254 N 0.77 0.65 -0.81 3.04 5.85 -0.83 -0.18 115.31 123.81 3gwa h LEU 254 Ca 0.28 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3gwa h LEU 254 Cb 0.09 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3gwa h LEU 254 CO -0.14 0.70 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.50 3gwa h LEU 255 N 0.57 0.77 -0.40 2.25 3.38 -1.12 -0.84 115.31 119.91 3gwa h LEU 255 Ca 0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3gwa h LEU 255 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gwa h LEU 255 CO -0.00 0.90 0.08 0.00 0.09 0.00 0.00 178.44 179.51 3gwa h ALA 256 N 1.17 0.53 -0.77 1.53 0.00 -0.98 0.48 119.26 121.23 3gwa h ALA 256 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gwa h ALA 256 Cb 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3gwa h ALA 256 CO 0.04 0.23 0.39 1.25 0.00 0.00 0.00 179.25 181.16 3gwa h LEU 257 N 0.52 0.99 -0.64 0.00 5.85 -0.85 -2.78 115.31 118.38 3gwa h LEU 257 Ca 0.12 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3gwa h LEU 257 Cb 0.34 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3gwa h LEU 257 CO 0.00 0.83 -0.29 0.00 -0.34 0.00 0.00 178.44 178.64 3gwa h ALA 258 N 1.20 0.91 -2.69 1.25 0.00 -0.99 -3.48 119.26 115.45 3gwa h ALA 258 Ca 0.27 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3gwa h ALA 258 Cb 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 17.87 3gwa h ALA 258 CO -0.04 0.37 -0.31 0.41 0.00 0.00 0.00 179.25 179.68 3gwa n GLY 259 N 0.59 0.13 3.22 0.00 0.00 0.10 -5.05 105.19 104.18 3gwa n GLY 259 Ca 0.01 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3gwa n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gwa s GLU 260 N -5.24 1.66 0.51 1.61 2.02 -0.83 -5.05 118.70 113.38 3gwa s GLU 260 Ca 0.19 -0.75 -0.20 0.00 0.02 0.00 0.00 54.97 54.23 3gwa s GLU 260 Cb -0.08 -1.61 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 3gwa s GLU 260 CO 0.23 0.44 1.08 -1.25 0.02 0.00 0.00 175.26 175.78 3gwa s PRO 261 N -0.51 3.60 0.54 0.39 0.04 -1.26 -4.64 135.00 133.16 3gwa s PRO 261 Ca 0.08 1.47 0.36 0.00 0.04 0.00 0.00 61.00 62.95 3gwa s PRO 261 Cb -0.08 -2.05 1.77 0.00 0.04 0.00 0.00 34.50 34.17 3gwa s PRO 261 CO -0.01 -0.62 2.08 0.07 0.04 0.00 0.00 177.00 178.56 3gwa h ARG 262 N 1.39 0.00 0.00 4.56 0.11 -1.98 -1.84 114.38 116.62 3gwa h ARG 262 Ca -0.50 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.53 3gwa h ARG 262 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 3gwa h ARG 262 CO 0.58 0.00 -0.25 0.93 0.10 0.00 0.00 179.97 181.33 3gwa h GLU 263 N 0.00 0.00 0.00 0.08 3.07 -2.02 -3.00 114.58 112.71 3gwa h GLU 263 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gwa h GLU 263 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3gwa h GLU 263 CO 0.00 0.25 0.00 0.09 -1.40 0.00 0.00 179.01 177.95 3gwa n ASN 264 N -3.46 0.01 -4.66 1.42 5.03 -0.69 -4.69 115.26 108.21 3gwa n ASN 264 Ca -0.00 0.50 -0.42 0.00 0.87 0.00 0.00 54.58 55.53 3gwa n ASN 264 Cb 0.43 -0.50 -0.04 0.00 -1.02 0.00 0.00 39.78 38.64 3gwa n ASN 264 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gwa s ILE 265 N -3.00 4.84 0.10 2.41 -1.09 -1.14 -4.74 121.20 118.58 3gwa s ILE 265 Ca 0.10 1.66 -0.07 0.00 -2.23 0.00 0.00 60.65 60.11 3gwa s ILE 265 Cb 0.14 -4.15 -0.22 0.00 -1.58 0.00 0.00 42.46 36.65 3gwa s ILE 265 CO 0.39 -0.04 1.23 0.44 -1.23 0.00 0.00 174.94 175.73 3gwa h ASP 266 N 7.49 0.61 -3.54 3.58 3.32 -1.06 -3.46 116.42 123.36 3gwa h ASP 266 Ca -0.25 -0.53 -0.23 0.00 0.02 0.00 0.00 57.03 56.04 3gwa h ASP 266 Cb 1.11 -0.19 -0.30 0.00 0.22 0.00 0.00 39.33 40.17 3gwa h ASP 266 CO 0.87 1.34 -0.58 0.00 -1.72 0.00 0.00 179.24 179.15 3gwa s PHE 268 N 0.83 3.33 -0.42 0.00 0.08 0.74 -0.98 117.98 121.56 3gwa s PHE 268 Ca -0.06 -1.44 -0.15 0.00 0.12 0.00 0.00 56.93 55.40 3gwa s PHE 268 Cb -0.08 -3.18 0.03 0.00 -0.57 0.00 0.00 43.02 39.23 3gwa s PHE 268 CO -0.04 -0.88 0.31 0.08 -0.10 0.00 0.00 175.22 174.59 3gwa s VAL 269 N 1.47 5.18 0.09 -0.44 1.01 0.40 -4.14 120.40 123.97 3gwa s VAL 269 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3gwa s VAL 269 Cb -0.24 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3gwa s VAL 269 CO 0.03 -0.37 0.13 -0.76 0.00 0.00 0.00 175.10 174.13 3gwa s LEU 270 N 1.66 3.96 0.03 3.92 1.02 -1.26 -1.45 118.68 126.55 3gwa s LEU 270 Ca 0.05 0.05 -0.38 0.00 0.02 0.00 0.00 54.13 53.87 3gwa s LEU 270 Cb -0.20 -2.61 -0.18 0.00 0.02 0.00 0.00 46.19 43.22 3gwa s LEU 270 CO 0.09 0.15 1.29 1.57 0.02 0.00 0.00 176.35 179.47 3gwa n HIS 271 N 0.28 1.30 -2.22 0.29 -0.00 0.28 -4.80 115.22 110.34 3gwa n HIS 271 Ca -0.08 0.77 -0.42 0.00 -0.00 0.00 0.00 57.72 57.99 3gwa n HIS 271 Cb 0.52 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.24 3gwa n HIS 271 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3gwa n GLN 272 N 2.43 3.73 0.02 1.57 1.13 -1.26 -4.77 117.38 120.22 3gwa n GLN 272 Ca 0.20 -3.43 -0.12 0.00 -1.94 0.00 0.00 57.00 51.70 3gwa n GLN 272 Cb 0.15 -2.90 -0.07 0.00 0.11 0.00 0.00 30.24 27.53 3gwa n GLN 272 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gwa h ALA 273 N 5.56 0.02 0.00 -1.58 0.00 -1.95 -3.38 119.26 117.93 3gwa h ALA 273 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3gwa h ALA 273 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gwa h ALA 273 CO 1.63 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 180.72 3gwa n ASN 274 N -5.02 0.00 -0.20 0.00 0.23 -1.26 -4.60 115.26 104.40 3gwa n ASN 274 Ca -0.07 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.90 3gwa n ASN 274 Cb 0.08 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.84 3gwa n ASN 274 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3gwa h ARG 275 N 0.00 1.04 -0.26 -3.83 2.43 -1.34 -1.95 114.38 110.47 3gwa h ARG 275 Ca 0.00 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 3gwa h ARG 275 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3gwa h ARG 275 CO 0.00 0.99 0.10 0.35 -1.51 0.00 0.00 179.97 179.91 3gwa h PHE 276 N 0.96 0.39 -0.36 2.20 3.57 -1.78 0.04 116.94 121.96 3gwa h PHE 276 Ca 0.18 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3gwa h PHE 276 Cb 0.50 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3gwa h PHE 276 CO 0.03 0.41 0.17 1.98 -2.23 0.00 0.00 178.31 178.68 3gwa h MET 277 N 0.26 0.51 -0.64 1.11 4.05 -1.90 -2.22 114.93 116.10 3gwa h MET 277 Ca 0.09 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 3gwa h MET 277 Cb 0.18 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3gwa h MET 277 CO -0.01 0.46 0.12 -0.07 0.23 0.00 0.00 176.91 177.64 3gwa h LEU 278 N 0.44 0.97 -0.31 3.39 3.38 -1.19 -1.55 115.31 120.44 3gwa h LEU 278 Ca 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gwa h LEU 278 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3gwa h LEU 278 CO -0.02 0.96 0.12 0.44 0.09 0.00 0.00 178.44 180.04 3gwa h ASP 279 N 0.97 0.44 -0.81 -0.43 3.32 -0.93 -0.42 116.42 118.55 3gwa h ASP 279 Ca 0.20 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3gwa h ASP 279 Cb 0.39 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3gwa h ASP 279 CO 0.01 0.49 0.47 0.00 -1.72 0.00 0.00 179.24 178.49 3gwa h ALA 280 N 0.96 1.04 -0.38 3.45 0.00 -1.18 -1.93 119.26 121.22 3gwa h ALA 280 Ca 0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3gwa h ALA 280 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gwa h ALA 280 CO -0.01 0.51 -0.16 -0.07 0.00 0.00 0.00 179.25 179.52 3gwa h LEU 281 N 1.12 0.81 -0.60 0.00 3.38 -1.20 -2.41 115.31 116.40 3gwa h LEU 281 Ca 0.29 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3gwa h LEU 281 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3gwa h LEU 281 CO -0.05 1.02 0.36 -0.09 0.09 0.00 0.00 178.44 179.77 3gwa h ARG 282 N 0.59 0.69 -0.35 1.13 2.43 -0.78 -0.52 114.38 117.58 3gwa h ARG 282 Ca 0.09 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3gwa h ARG 282 Cb 0.71 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3gwa h ARG 282 CO 0.05 0.46 -0.29 0.87 -1.51 0.00 0.00 179.97 179.55 3gwa h LYS 283 N 0.71 0.82 -0.72 0.20 1.57 -1.36 -0.84 116.57 116.96 3gwa h LYS 283 Ca 0.24 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3gwa h LYS 283 Cb 0.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3gwa h LYS 283 CO -0.11 1.05 0.24 -0.22 -0.57 0.00 0.00 179.45 179.84 3gwa h LYS 284 N 0.60 1.10 -0.00 3.15 3.64 -1.26 -2.78 116.57 121.03 3gwa h LYS 284 Ca 0.06 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3gwa h LYS 284 Cb 0.87 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3gwa h LYS 284 CO 0.08 0.94 -0.05 -1.33 -2.27 0.00 0.00 179.45 176.81 3gwa n MET 285 N -4.30 0.31 -3.65 1.90 2.81 -0.22 -4.95 117.12 109.01 3gwa n MET 285 Ca 0.05 -0.04 -0.22 0.00 -1.81 0.00 0.00 57.70 55.68 3gwa n MET 285 Cb 0.22 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.26 3gwa n MET 285 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3gwa n LYS 286 N -1.31 -4.09 -4.29 0.03 5.02 -0.37 -5.00 118.16 108.15 3gwa n LYS 286 Ca 0.11 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 3gwa n LYS 286 Cb 0.29 -5.08 -0.10 0.00 -0.02 0.00 0.00 35.03 30.11 3gwa n LYS 286 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gwa s ILE 287 N -3.62 4.29 0.46 -0.18 1.01 -0.93 -5.06 121.20 117.18 3gwa s ILE 287 Ca 0.12 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.29 3gwa s ILE 287 Cb -0.03 -2.87 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 3gwa s ILE 287 CO 0.81 0.53 1.40 -2.65 0.00 0.00 0.00 174.94 175.03 3gwa n PRO 288 N 2.99 2.12 -0.34 2.79 -0.02 -1.26 -4.82 135.00 136.46 3gwa n PRO 288 Ca -0.18 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 3gwa n PRO 288 Cb 0.53 -2.59 0.34 0.00 -0.02 0.00 0.00 33.50 31.76 3gwa n PRO 288 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gwa h GLU 289 N 2.13 0.72 0.00 -0.52 5.08 -1.98 -1.35 114.58 118.65 3gwa h GLU 289 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3gwa h GLU 289 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3gwa h GLU 289 CO 0.60 0.48 0.00 1.12 -1.00 0.00 0.00 179.01 180.21 3gwa h HIS 290 N 0.74 0.00 -0.56 4.33 2.07 -1.98 -1.91 115.15 117.84 3gwa h HIS 290 Ca 0.55 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3gwa h HIS 290 Cb 0.89 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.87 3gwa h HIS 290 CO -0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 3gwa n LYS 291 N -2.35 2.83 -3.51 5.12 5.02 -0.51 -4.83 118.16 119.93 3gwa n LYS 291 Ca 0.01 -2.41 -0.28 0.00 -2.02 0.00 0.00 58.31 53.62 3gwa n LYS 291 Cb 0.20 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 3gwa n LYS 291 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3gwa s PHE 292 N -1.05 1.50 0.24 2.13 5.36 -0.72 -0.18 117.98 125.26 3gwa s PHE 292 Ca 0.38 -2.39 -0.30 0.00 -0.96 0.00 0.00 56.93 53.66 3gwa s PHE 292 Cb 0.20 -1.29 -0.09 0.00 -0.34 0.00 0.00 43.02 41.50 3gwa s PHE 292 CO 0.25 -0.78 1.36 -1.25 -1.46 0.00 0.00 175.22 173.34 3gwa s PRO 293 N 0.01 4.34 -0.32 10.12 0.04 -1.26 -4.92 135.00 143.02 3gwa s PRO 293 Ca 0.28 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.51 3gwa s PRO 293 Cb -0.04 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.45 3gwa s PRO 293 CO -0.14 -0.30 0.05 0.08 0.04 0.00 0.00 177.00 176.73 3gwa s VAL 294 N -0.11 1.79 -0.09 -0.36 1.01 -1.26 -4.76 120.40 116.62 3gwa s VAL 294 Ca 0.57 -1.96 0.16 0.00 0.00 0.00 0.00 61.98 60.75 3gwa s VAL 294 Cb -0.39 -2.30 0.35 0.00 0.00 0.00 0.00 36.38 34.04 3gwa s VAL 294 CO 0.42 -0.57 1.16 0.18 0.00 0.00 0.00 175.10 176.29 3gwa n LEU 295 N 4.47 1.61 -0.93 3.92 4.77 -1.26 -4.79 117.00 124.78 3gwa n LEU 295 Ca 0.01 -2.64 0.07 0.00 -0.03 0.00 0.00 56.01 53.42 3gwa n LEU 295 Cb 0.42 -0.23 0.23 0.00 -2.33 0.00 0.00 43.42 41.51 3gwa n LEU 295 CO 0.18 0.80 0.70 1.15 -1.33 0.00 0.00 177.39 178.89 3gwa n MET 296 N -0.37 3.08 -0.21 3.23 0.00 -1.26 -4.68 117.12 116.91 3gwa n MET 296 Ca 0.11 -2.51 0.14 0.00 0.00 0.00 0.00 57.70 55.43 3gwa n MET 296 Cb 0.87 -1.61 0.44 0.00 0.00 0.00 0.00 33.22 32.92 3gwa n MET 296 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3gwa h GLU 297 N 2.38 0.53 -0.04 3.17 4.81 -1.87 0.30 114.58 123.86 3gwa h GLU 297 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gwa h GLU 297 Cb 1.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3gwa h GLU 297 CO 0.13 0.35 0.00 0.72 -0.73 0.00 0.00 179.01 179.48 3gwa n HIS 298 N -4.51 0.04 0.00 0.92 8.25 -1.26 -0.09 115.22 118.57 3gwa n HIS 298 Ca 0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3gwa n HIS 298 Cb 0.49 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3gwa n HIS 298 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gwa n GLY 300 N 1.15 -0.38 3.57 0.00 0.00 0.10 -3.96 105.19 105.68 3gwa n GLY 300 Ca 0.00 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 3gwa n GLY 300 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gwa s ASN 301 N -4.00 6.49 -0.27 1.61 3.84 -0.37 -4.73 114.94 117.51 3gwa s ASN 301 Ca 0.00 0.12 0.13 0.00 0.21 0.00 0.00 52.86 53.31 3gwa s ASN 301 Cb 0.00 -2.51 0.81 0.00 -0.55 0.00 0.00 41.25 39.00 3gwa s ASN 301 CO 0.00 -1.28 1.78 0.35 -2.79 0.00 0.00 177.10 175.16 3gwa n THR 302 N 6.57 2.84 0.00 -5.21 -2.24 -1.26 -0.79 114.28 114.20 3gwa n THR 302 Ca 0.08 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.38 3gwa n THR 302 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3gwa n THR 302 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3gwa n VAL 303 N 0.39 0.00 0.30 2.28 0.31 -1.26 -2.43 118.33 117.93 3gwa n VAL 303 Ca 0.32 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.85 3gwa n VAL 303 Cb 1.27 0.00 0.91 0.00 -0.91 0.00 0.00 33.84 35.11 3gwa n VAL 303 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3gwa h SER 304 N 0.00 0.00 0.50 4.52 4.64 -1.86 -2.64 113.55 118.71 3gwa h SER 304 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gwa h SER 304 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gwa h SER 304 CO 0.00 0.00 -0.10 -1.20 -0.87 0.00 0.00 176.83 174.66 3gwa n SER 305 N -3.10 0.30 -0.14 4.97 7.64 -1.02 -4.19 113.62 118.08 3gwa n SER 305 Ca -0.01 -0.32 -0.06 0.00 1.01 0.00 0.00 58.87 59.50 3gwa n SER 305 Cb 0.21 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 63.29 3gwa n SER 305 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3gwa h THR 306 N 0.32 0.98 0.24 0.44 1.35 -1.63 -1.34 112.91 113.26 3gwa h THR 306 Ca 0.00 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 3gwa h THR 306 Cb 0.37 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 3gwa h THR 306 CO 0.00 0.08 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.17 3gwa h LEU 307 N 0.46 -0.27 -1.20 3.87 3.38 -1.84 -0.76 115.31 118.96 3gwa h LEU 307 Ca 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3gwa h LEU 307 Cb 0.09 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3gwa h LEU 307 CO -0.13 0.06 -0.16 1.55 0.09 0.00 0.00 178.44 179.85 3gwa h PRO 308 N -0.62 0.36 -0.56 1.13 0.13 -1.82 0.15 132.00 130.76 3gwa h PRO 308 Ca -0.03 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 3gwa h PRO 308 Cb 0.45 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 3gwa h PRO 308 CO 0.05 0.52 0.00 -0.07 -0.23 0.00 0.00 178.00 178.27 3gwa h LEU 309 N 0.33 0.93 -0.28 1.56 3.38 -1.24 -0.79 115.31 119.20 3gwa h LEU 309 Ca 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3gwa h LEU 309 Cb 0.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gwa h LEU 309 CO 0.03 0.99 0.13 0.00 0.09 0.00 0.00 178.44 179.68 3gwa h ALA 310 N 1.11 0.37 -0.74 1.53 0.00 -0.52 -0.95 119.26 120.05 3gwa h ALA 310 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gwa h ALA 310 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3gwa h ALA 310 CO 0.03 -0.06 0.49 -0.07 0.00 0.00 0.00 179.25 179.64 3gwa h LEU 311 N 0.32 0.84 -0.50 0.00 3.38 -0.79 0.09 115.31 118.65 3gwa h LEU 311 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gwa h LEU 311 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3gwa h LEU 311 CO -0.01 0.60 0.30 -0.08 0.09 0.00 0.00 178.44 179.34 3gwa h GLU 312 N 0.99 0.67 -0.81 1.13 4.81 -0.99 -1.55 114.58 118.83 3gwa h GLU 312 Ca 0.27 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3gwa h GLU 312 Cb -0.10 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.10 3gwa h GLU 312 CO -0.07 0.49 0.53 1.15 -0.73 0.00 0.00 179.01 180.39 3gwa h THR 313 N 0.66 1.21 -0.66 0.32 2.02 -0.65 -1.73 112.91 114.08 3gwa h THR 313 Ca 0.18 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3gwa h THR 313 Cb -0.01 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3gwa h THR 313 CO -0.03 0.21 0.28 0.24 0.37 0.00 0.00 175.52 176.59 3gwa h MET 314 N 1.10 0.95 -0.51 6.66 2.86 -0.62 -0.47 114.93 124.90 3gwa h MET 314 Ca 0.30 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3gwa h MET 314 Cb -0.12 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 3gwa h MET 314 CO -0.06 0.76 -0.14 0.00 1.06 0.00 0.00 176.91 178.54 3gwa h ARG 315 N 0.94 0.99 -0.21 1.72 3.08 -0.84 0.26 114.38 120.31 3gwa h ARG 315 Ca 0.23 -0.37 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 3gwa h ARG 315 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3gwa h ARG 315 CO -0.02 1.05 -0.33 0.00 -1.07 0.00 0.00 179.97 179.60 3gwa h ALA 316 N 0.96 1.05 -0.17 0.04 0.00 -0.87 -2.97 119.26 117.30 3gwa h ALA 316 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gwa h ALA 316 Cb 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gwa h ALA 316 CO 0.05 0.58 0.00 0.27 0.00 0.00 0.00 179.25 180.16 3gwa n ASN 317 N -4.08 2.49 -0.06 0.00 0.23 -0.23 -4.96 115.26 108.66 3gwa n ASN 317 Ca -0.01 -1.83 -0.01 0.00 -0.53 0.00 0.00 54.58 52.21 3gwa n ASN 317 Cb 0.45 -0.11 -0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3gwa n ASN 317 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gwa n GLY 318 N 1.30 0.46 0.54 4.83 0.00 -0.40 -4.92 105.19 107.01 3gwa n GLY 318 Ca 0.17 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3gwa n GLY 318 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gwa n THR 319 N -2.97 0.00 -4.78 2.61 -2.24 -0.06 -4.83 114.28 102.01 3gwa n THR 319 Ca -0.01 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.16 3gwa n THR 319 Cb 0.03 1.26 -0.17 0.00 -2.10 0.00 0.00 70.33 69.36 3gwa n THR 319 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gwa s LEU 320 N -2.43 2.13 0.08 3.22 2.96 -0.97 -4.96 118.68 118.71 3gwa s LEU 320 Ca 0.20 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3gwa s LEU 320 Cb 0.18 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 3gwa s LEU 320 CO 0.54 0.10 -0.06 0.00 -1.32 0.00 0.00 176.35 175.61 3gwa s ALA 321 N 0.71 0.81 0.36 5.97 0.00 -1.26 -4.52 121.76 123.83 3gwa s ALA 321 Ca -0.10 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.40 3gwa s ALA 321 Cb -0.16 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 22.99 3gwa s ALA 321 CO 0.01 -0.20 1.45 0.54 0.00 0.00 0.00 175.76 177.55 3gwa n ARG 322 N 0.36 2.54 0.00 0.00 5.12 -1.26 -2.66 116.66 120.75 3gwa n ARG 322 Ca -0.15 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 3gwa n ARG 322 Cb 0.59 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 3gwa n ARG 322 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gwa n GLY 323 N 0.67 1.04 3.76 -0.13 0.00 0.15 -5.00 105.19 105.67 3gwa n GLY 323 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3gwa n GLY 323 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gwa s MET 324 N -0.80 4.57 -0.32 1.61 -1.94 -1.09 -4.76 119.30 116.57 3gwa s MET 324 Ca 0.00 1.88 -0.20 0.00 -1.71 0.00 0.00 55.69 55.67 3gwa s MET 324 Cb 0.00 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.65 3gwa s MET 324 CO 0.00 0.09 0.60 0.50 -0.01 0.00 0.00 175.02 176.20 3gwa s ARG 325 N -1.28 3.82 0.10 2.03 6.06 -1.26 -1.68 118.95 126.74 3gwa s ARG 325 Ca 0.47 0.16 0.07 0.00 -2.50 0.00 0.00 55.73 53.93 3gwa s ARG 325 Cb -0.33 -3.75 -0.04 0.00 0.06 0.00 0.00 34.95 30.89 3gwa s ARG 325 CO 0.42 -0.60 -0.08 -0.51 -2.50 0.00 0.00 175.30 172.03 3gwa s LEU 326 N 2.56 3.10 -0.19 -0.88 1.43 0.47 -0.49 118.68 124.69 3gwa s LEU 326 Ca 0.23 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3gwa s LEU 326 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3gwa s LEU 326 CO 0.12 0.17 -0.08 -0.32 0.23 0.00 0.00 176.35 176.48 3gwa s MET 327 N -2.25 3.35 -0.16 1.70 -2.45 -0.15 -1.06 119.30 118.28 3gwa s MET 327 Ca 0.22 -0.66 -0.07 0.00 -1.25 0.00 0.00 55.69 53.93 3gwa s MET 327 Cb -0.11 -2.86 -0.04 0.00 1.25 0.00 0.00 34.83 33.06 3gwa s MET 327 CO 0.15 -0.08 0.09 -0.51 1.05 0.00 0.00 175.02 175.72 3gwa s LEU 328 N 1.13 4.03 -0.09 4.11 1.43 -0.08 -0.46 118.68 128.75 3gwa s LEU 328 Ca 0.01 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3gwa s LEU 328 Cb -0.14 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3gwa s LEU 328 CO -0.02 0.25 -0.03 -0.76 0.23 0.00 0.00 176.35 176.02 3gwa s LEU 329 N -0.07 0.85 -0.01 1.79 1.43 -0.53 -1.28 118.68 120.87 3gwa s LEU 329 Ca 0.08 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3gwa s LEU 329 Cb -0.12 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3gwa s LEU 329 CO 0.01 -0.16 -0.21 -0.83 0.23 0.00 0.00 176.35 175.39 3gwa s GLY 330 N 1.82 1.43 -0.28 -3.19 0.00 -0.15 -0.56 107.32 106.40 3gwa s GLY 330 Ca 0.04 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.42 3gwa s GLY 330 CO -0.06 -0.95 0.83 -0.11 0.00 0.00 0.00 173.10 172.81 3gwa s PHE 331 N -0.74 -0.73 0.00 1.90 -0.12 -1.17 -0.96 117.98 116.16 3gwa s PHE 331 Ca 0.12 1.67 0.00 0.00 -0.05 0.00 0.00 56.93 58.67 3gwa s PHE 331 Cb -0.10 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 3gwa s PHE 331 CO 0.01 -0.36 0.00 0.41 -0.05 0.00 0.00 175.22 175.23 3gwa n GLY 332 N 2.99 -0.52 3.57 1.99 0.00 -0.32 -4.54 105.19 108.35 3gwa n GLY 332 Ca -0.15 -0.21 -0.53 0.00 0.00 0.00 0.00 46.02 45.13 3gwa n GLY 332 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gwa n VAL 333 N 0.00 0.21 0.00 1.61 3.14 -1.26 -1.49 118.33 120.54 3gwa n VAL 333 Ca 0.00 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3gwa n VAL 333 Cb 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 3gwa n VAL 333 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gwa n GLY 334 N 2.21 1.00 3.76 7.55 0.00 -1.26 -3.13 105.19 115.32 3gwa n GLY 334 Ca 0.18 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3gwa n GLY 334 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gwa s TYR 335 N 0.00 2.45 -0.10 1.61 2.02 0.09 -2.94 117.35 120.48 3gwa s TYR 335 Ca 0.00 1.48 -0.07 0.00 -0.37 0.00 0.00 57.07 58.11 3gwa s TYR 335 Cb 0.00 -3.56 0.03 0.00 -0.40 0.00 0.00 41.96 38.03 3gwa s TYR 335 CO 0.00 -2.28 0.24 0.45 -1.57 0.00 0.00 175.55 172.39 3gwa s SER 336 N -1.35 -0.26 0.09 2.29 0.15 -0.55 -1.04 113.70 113.03 3gwa s SER 336 Ca 0.73 0.50 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 3gwa s SER 336 Cb -0.33 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 3gwa s SER 336 CO 0.38 -0.11 0.23 -1.66 1.20 0.00 0.00 173.24 173.28 3gwa s TRP 337 N 0.53 0.06 -0.06 3.44 -2.14 -0.27 -1.17 118.94 119.32 3gwa s TRP 337 Ca -0.03 -0.44 -0.30 0.00 2.66 0.00 0.00 56.10 57.98 3gwa s TRP 337 Cb -0.05 0.01 0.08 0.00 -3.10 0.00 0.00 33.47 30.42 3gwa s TRP 337 CO -0.03 -0.56 0.75 0.00 -2.66 0.00 0.00 176.95 174.46 3gwa s ALA 338 N -3.67 -1.80 0.04 2.67 0.00 -0.13 -0.11 121.76 118.76 3gwa s ALA 338 Ca 0.03 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3gwa s ALA 338 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3gwa s ALA 338 CO -0.10 -0.39 -0.07 0.20 0.00 0.00 0.00 175.76 175.40 3gwa s GLY 339 N -1.30 0.47 0.08 0.00 0.00 -0.32 -0.97 107.32 105.28 3gwa s GLY 339 Ca -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3gwa s GLY 339 CO 0.06 -0.79 0.25 0.00 0.00 0.00 0.00 173.10 172.62 3gwa s LEU 341 N -2.65 4.32 -0.02 0.00 1.43 -1.00 -0.90 118.68 119.85 3gwa s LEU 341 Ca 0.02 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 3gwa s LEU 341 Cb 0.03 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.20 3gwa s LEU 341 CO -0.09 0.13 -0.05 -0.69 0.23 0.00 0.00 176.35 175.89 3gwa s VAL 342 N -1.52 0.44 -0.61 -1.59 1.01 -0.23 -0.44 120.40 117.47 3gwa s VAL 342 Ca 0.36 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 3gwa s VAL 342 Cb -0.13 -0.42 0.15 0.00 0.00 0.00 0.00 36.38 35.99 3gwa s VAL 342 CO 0.22 0.16 0.56 0.20 0.00 0.00 0.00 175.10 176.24 3gwa s ASN 343 N 0.33 6.29 0.00 3.32 0.01 0.03 -0.39 114.94 124.52 3gwa s ASN 343 Ca -0.04 -2.06 0.02 0.00 -0.71 0.00 0.00 52.86 50.08 3gwa s ASN 343 Cb -0.08 -2.19 0.14 0.00 0.41 0.00 0.00 41.25 39.53 3gwa s ASN 343 CO -0.00 -0.76 0.62 0.33 -1.51 0.00 0.00 177.10 175.78