#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 2.60 -0.03 0.54 1.81 -0.60 -4.52 118.95 118.75 3gwa s ARG 9 Ca 0.00 -0.64 -0.23 0.00 -1.72 0.00 0.00 55.73 53.14 3gwa s ARG 9 Cb 0.00 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 32.00 3gwa s ARG 9 CO 0.00 0.64 0.70 0.00 -0.68 0.00 0.00 175.30 175.96 3gwa s ALA 10 N -0.75 3.37 0.02 2.13 0.00 -1.26 0.46 121.76 125.73 3gwa s ALA 10 Ca 0.12 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3gwa s ALA 10 Cb -0.11 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3gwa s ALA 10 CO 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 175.76 175.72 3gwa s ALA 11 N 0.42 0.18 -0.46 0.00 0.00 -0.64 -3.47 121.76 117.80 3gwa s ALA 11 Ca 0.37 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 3gwa s ALA 11 Cb -0.18 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3gwa s ALA 11 CO 0.19 -0.17 1.27 0.42 0.00 0.00 0.00 175.76 177.47 3gwa s ILE 12 N -1.63 4.05 -0.06 0.00 1.01 -1.26 -1.11 121.20 122.19 3gwa s ILE 12 Ca -0.14 1.06 -0.24 0.00 0.00 0.00 0.00 60.65 61.33 3gwa s ILE 12 Cb -0.09 -4.44 -0.28 0.00 0.01 0.00 0.00 42.46 37.67 3gwa s ILE 12 CO -0.02 -0.93 0.92 0.00 0.00 0.00 0.00 174.94 174.92 3gwa h ALA 13 N 9.95 -0.02 -2.65 9.38 0.00 -1.19 -3.49 119.26 131.23 3gwa h ALA 13 Ca -0.25 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.11 3gwa h ALA 13 Cb 1.08 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3gwa h ALA 13 CO 1.12 0.23 0.35 0.34 0.00 0.00 0.00 179.25 181.29 3gwa s ASP 14 N -6.65 -0.46 0.00 0.00 2.15 -1.25 -5.00 116.67 105.46 3gwa s ASP 14 Ca -0.15 -0.02 0.02 0.00 0.43 0.00 0.00 52.55 52.83 3gwa s ASP 14 Cb 0.00 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.12 3gwa s ASP 14 CO 0.78 -0.81 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.28 3gwa s ILE 15 N -3.45 0.50 -0.01 4.11 1.01 -1.26 -1.66 121.20 120.43 3gwa s ILE 15 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3gwa s ILE 15 Cb -0.01 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.03 3gwa s ILE 15 CO -0.11 0.05 0.02 0.00 0.00 0.00 0.00 174.94 174.90 3gwa s ALA 16 N -0.35 0.05 0.26 9.38 0.00 0.11 -4.95 121.76 126.26 3gwa s ALA 16 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.19 3gwa s ALA 16 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3gwa s ALA 16 CO -0.00 -0.06 0.25 0.20 0.00 0.00 0.00 175.76 176.15 3gwa s GLY 17 N 0.58 1.40 -0.08 0.00 0.00 -1.26 -0.33 107.32 107.63 3gwa s GLY 17 Ca -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 44.72 43.24 3gwa s GLY 17 CO -0.02 -1.42 0.17 -1.58 0.00 0.00 0.00 173.10 170.26 3gwa s HIS 18 N -2.11 -0.21 -0.03 1.90 2.46 -0.13 -4.79 115.29 112.38 3gwa s HIS 18 Ca 0.34 0.58 0.05 0.00 0.47 0.00 0.00 55.06 56.50 3gwa s HIS 18 Cb -0.08 -0.09 -0.03 0.00 -0.13 0.00 0.00 32.58 32.26 3gwa s HIS 18 CO 0.26 -0.20 -0.18 -0.51 -2.47 0.00 0.00 174.74 171.64 3gwa s LEU 19 N 1.43 2.55 1.02 8.88 1.43 -1.26 -0.88 118.68 131.85 3gwa s LEU 19 Ca -0.07 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3gwa s LEU 19 Cb -0.11 -1.50 0.20 0.00 0.03 0.00 0.00 46.19 44.81 3gwa s LEU 19 CO -0.06 0.33 1.08 -2.16 0.23 0.00 0.00 176.35 175.76 3gwa s PRO 20 N -0.81 0.21 0.01 1.29 0.04 -1.26 -4.99 135.00 129.48 3gwa s PRO 20 Ca 0.12 0.66 -0.20 0.00 0.04 0.00 0.00 61.00 61.62 3gwa s PRO 20 Cb -0.10 -1.70 -0.22 0.00 0.04 0.00 0.00 34.50 32.52 3gwa s PRO 20 CO 0.01 -2.91 1.14 1.49 0.04 0.00 0.00 177.00 176.76 3gwa h GLU 21 N -2.03 0.40 -6.73 4.56 4.81 -1.98 -3.41 114.58 110.20 3gwa h GLU 21 Ca -0.55 -0.39 -0.53 0.00 -0.13 0.00 0.00 59.36 57.76 3gwa h GLU 21 Cb 1.32 0.10 0.06 0.00 0.63 0.00 0.00 28.75 30.87 3gwa h GLU 21 CO 0.55 1.05 0.85 -1.14 -0.73 0.00 0.00 179.01 179.58 3gwa s GLN 22 N -3.38 4.19 -0.16 1.92 0.74 -1.24 -4.89 119.66 116.84 3gwa s GLN 22 Ca -0.13 2.43 -0.04 0.00 0.05 0.00 0.00 55.36 57.67 3gwa s GLN 22 Cb 0.04 -3.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.04 3gwa s GLN 22 CO 0.81 -0.56 -0.03 0.08 -0.55 0.00 0.00 175.29 175.04 3gwa s VAL 23 N 0.30 3.92 -0.44 1.34 1.01 -1.26 -1.17 120.40 124.11 3gwa s VAL 23 Ca 0.64 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 3gwa s VAL 23 Cb -0.45 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 33.30 3gwa s VAL 23 CO 0.42 0.49 0.29 -0.22 0.00 0.00 0.00 175.10 176.08 3gwa s LEU 24 N 0.34 5.34 0.40 3.92 2.96 0.58 -4.97 118.68 127.26 3gwa s LEU 24 Ca -0.04 -1.63 -0.03 0.00 -0.22 0.00 0.00 54.13 52.21 3gwa s LEU 24 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3gwa s LEU 24 CO 0.03 -0.59 0.67 0.42 -1.32 0.00 0.00 176.35 175.55 3gwa s THR 25 N 1.41 4.99 0.46 3.68 -4.23 -1.26 -1.78 115.64 118.92 3gwa s THR 25 Ca 0.04 -0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3gwa s THR 25 Cb -0.24 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 70.04 3gwa s THR 25 CO 0.01 -0.66 2.08 0.78 -0.54 0.00 0.00 174.62 176.29 3gwa h ASN 26 N 0.64 0.25 -0.55 3.99 2.35 -1.79 -2.28 115.58 118.19 3gwa h ASN 26 Ca -0.48 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 3gwa h ASN 26 Cb 1.21 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3gwa h ASN 26 CO 0.62 0.18 -0.04 0.44 -1.65 0.00 0.00 177.43 176.98 3gwa h ASP 27 N 0.29 1.01 -0.26 5.81 3.32 -1.94 0.13 116.42 124.78 3gwa h ASP 27 Ca 0.12 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3gwa h ASP 27 Cb 0.11 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3gwa h ASP 27 CO -0.02 1.08 -0.22 0.58 -1.72 0.00 0.00 179.24 178.94 3gwa h VAL 28 N 0.93 1.31 -0.82 -1.35 2.07 -1.89 -2.17 116.25 114.32 3gwa h VAL 28 Ca 0.16 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3gwa h VAL 28 Cb 0.59 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3gwa h VAL 28 CO 0.04 0.43 0.41 -0.07 0.02 0.00 0.00 177.57 178.40 3gwa h LEU 29 N 0.34 1.06 -1.16 2.57 3.38 -1.30 -1.94 115.31 118.25 3gwa h LEU 29 Ca 0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3gwa h LEU 29 Cb 0.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3gwa h LEU 29 CO 0.06 0.88 -0.23 0.00 0.09 0.00 0.00 178.44 179.23 3gwa h ALA 30 N 1.29 1.30 -0.09 1.53 0.00 -0.69 0.30 119.26 122.89 3gwa h ALA 30 Ca 0.29 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3gwa h ALA 30 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gwa h ALA 30 CO -0.04 0.47 -0.57 -0.56 0.00 0.00 0.00 179.25 178.55 3gwa h GLN 31 N 0.27 0.27 0.13 0.00 -0.00 -1.08 -3.23 115.11 111.48 3gwa h GLN 31 Ca 0.04 -0.18 -0.28 0.00 -0.00 0.00 0.00 58.65 58.24 3gwa h GLN 31 Cb 0.56 0.02 0.01 0.00 -0.00 0.00 0.00 27.48 28.08 3gwa h GLN 31 CO 0.04 0.77 -1.24 1.25 -0.00 0.00 0.00 178.83 179.65 3gwa h LEU 32 N 0.21 0.53 -7.78 0.06 5.85 -0.88 -3.42 115.31 109.88 3gwa h LEU 32 Ca -0.00 -0.54 -0.68 0.00 0.84 0.00 0.00 57.88 57.50 3gwa h LEU 32 Cb 1.07 -0.17 -0.37 0.00 0.37 0.00 0.00 40.66 41.56 3gwa h LEU 32 CO 0.09 1.41 -0.64 -0.31 -0.34 0.00 0.00 178.44 178.65 3gwa s TYR 33 N -2.75 3.65 0.39 1.25 2.02 0.10 -4.99 117.35 117.02 3gwa s TYR 33 Ca -0.05 -2.65 0.12 0.00 -0.37 0.00 0.00 57.07 54.12 3gwa s TYR 33 Cb 0.07 -3.03 0.93 0.00 -0.40 0.00 0.00 41.96 39.54 3gwa s TYR 33 CO 0.89 -0.95 1.89 -1.35 -1.57 0.00 0.00 175.55 174.46 3gwa h PRO 34 N 7.85 0.54 -0.01 -1.71 0.11 -1.82 -1.90 132.00 135.06 3gwa h PRO 34 Ca -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3gwa h PRO 34 Cb 1.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3gwa h PRO 34 CO 0.61 0.36 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.35 3gwa n ASP 35 N -4.53 0.55 -3.67 -2.05 5.75 -1.26 -4.40 116.55 106.94 3gwa n ASP 35 Ca 0.16 -1.13 -0.27 0.00 -0.01 0.00 0.00 54.79 53.54 3gwa n ASP 35 Cb 0.52 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.49 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 -0.59 2.01 -1.54 2.11 7.02 -0.71 -5.07 117.44 120.67 3gwa n TRP 36 Ca 0.21 -3.99 -0.33 0.00 -1.02 0.00 0.00 57.50 52.38 3gwa n TRP 36 Cb 0.21 -0.37 0.07 0.00 -2.42 0.00 0.00 31.31 28.80 3gwa n TRP 36 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3gwa s PRO 37 N -1.18 2.49 0.29 -0.99 0.04 -1.26 -3.98 135.00 130.41 3gwa s PRO 37 Ca 0.29 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.76 3gwa s PRO 37 Cb 0.01 -1.91 0.68 0.00 0.04 0.00 0.00 34.50 33.33 3gwa s PRO 37 CO -0.16 -1.50 1.74 0.00 0.04 0.00 0.00 177.00 177.12 3gwa h ALA 38 N -0.39 1.47 -0.59 8.56 0.00 -1.93 -0.22 119.26 126.16 3gwa h ALA 38 Ca -0.46 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3gwa h ALA 38 Cb 1.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3gwa h ALA 38 CO 0.52 -0.20 0.24 1.05 0.00 0.00 0.00 179.25 180.86 3gwa h GLU 39 N 0.56 0.85 -0.18 0.00 -0.00 -1.94 -1.72 114.58 112.15 3gwa h GLU 39 Ca 0.54 -0.13 -0.09 0.00 -0.00 0.00 0.00 59.36 59.68 3gwa h GLU 39 Cb 0.92 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 29.51 3gwa h GLU 39 CO -0.44 0.69 -0.25 -0.22 -0.00 0.00 0.00 179.01 178.79 3gwa h LYS 40 N 0.84 0.48 -0.51 1.06 3.64 -1.43 -2.30 116.57 118.36 3gwa h LYS 40 Ca 0.20 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3gwa h LYS 40 Cb 0.16 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3gwa h LYS 40 CO -0.02 0.87 0.28 0.82 -2.27 0.00 0.00 179.45 179.13 3gwa h ILE 41 N 0.13 1.00 -0.58 2.00 2.04 -1.14 -0.93 117.51 120.04 3gwa h ILE 41 Ca 0.02 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3gwa h ILE 41 Cb 0.82 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3gwa h ILE 41 CO 0.06 0.10 -0.01 0.25 0.00 0.00 0.00 178.15 178.55 3gwa h LEU 42 N 0.55 1.01 -0.84 1.44 5.85 -1.34 -0.51 115.31 121.47 3gwa h LEU 42 Ca 0.22 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 3gwa h LEU 42 Cb 0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3gwa h LEU 42 CO -0.13 1.07 -0.25 0.00 -0.34 0.00 0.00 178.44 178.79 3gwa h ALA 43 N 0.97 1.01 0.00 1.25 0.00 -1.15 0.22 119.26 121.57 3gwa h ALA 43 Ca 0.16 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 3gwa h ALA 43 Cb 0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3gwa h ALA 43 CO 0.03 0.59 -1.17 1.57 0.00 0.00 0.00 179.25 180.27 3gwa h LYS 44 N 0.51 0.00 0.00 0.00 5.09 -1.04 -3.41 116.57 117.71 3gwa h LYS 44 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 3gwa h LYS 44 Cb 0.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.04 3gwa h LYS 44 CO 0.05 0.75 -0.96 0.25 -2.09 0.00 0.00 179.45 177.45 3gwa n THR 45 N -3.22 0.00 -0.98 0.07 -2.24 -0.21 -4.17 114.28 103.54 3gwa n THR 45 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3gwa n THR 45 Cb 0.94 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 2.83 0.44 3.62 3.38 0.00 0.77 -0.04 105.19 116.19 3gwa n GLY 46 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.99 4.92 -0.25 -0.61 1.01 -1.26 -4.13 121.20 118.89 3gwa s ILE 47 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3gwa s ILE 47 Cb 0.00 -3.25 -0.18 0.00 0.01 0.00 0.00 42.46 39.04 3gwa s ILE 47 CO 0.00 0.41 -0.17 -1.14 0.00 0.00 0.00 174.94 174.03 3gwa n ARG 48 N 3.98 0.66 -4.03 2.79 0.63 0.16 -4.33 116.66 116.51 3gwa n ARG 48 Ca -0.16 0.17 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 3gwa n ARG 48 Cb 0.52 -1.54 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 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 -2.52 0.43 0.12 -0.14 2.02 -0.68 -2.22 118.70 115.70 3gwa s GLU 49 Ca -0.34 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 53.90 3gwa s GLU 49 Cb 0.09 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.34 3gwa s GLU 49 CO 0.61 -0.05 -0.13 1.03 0.02 0.00 0.00 175.26 176.74 3gwa s ARG 50 N -2.13 0.99 -0.02 1.61 3.00 -0.73 -2.64 118.95 119.02 3gwa s ARG 50 Ca -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 55.73 54.40 3gwa s ARG 50 Cb -0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 34.95 34.05 3gwa s ARG 50 CO -0.03 0.15 0.11 1.03 0.00 0.00 0.00 175.30 176.56 3gwa s ARG 51 N -2.74 3.19 -0.08 3.54 1.81 -1.26 -0.31 118.95 123.11 3gwa s ARG 51 Ca 0.08 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.71 3gwa s ARG 51 Cb -0.04 -2.95 0.01 0.00 -0.45 0.00 0.00 34.95 31.53 3gwa s ARG 51 CO 0.02 0.67 -0.14 0.42 -0.68 0.00 0.00 175.30 175.59 3gwa s ILE 52 N -1.20 1.28 0.50 1.52 -1.09 -0.32 -0.18 121.20 121.71 3gwa s ILE 52 Ca 0.23 -0.55 -0.23 0.00 -2.23 0.00 0.00 60.65 57.87 3gwa s ILE 52 Cb -0.12 -1.17 -0.06 0.00 -1.58 0.00 0.00 42.46 39.52 3gwa s ILE 52 CO 0.14 0.39 1.38 0.00 -1.23 0.00 0.00 174.94 175.62 3gwa s ALA 53 N 0.76 3.01 0.76 9.38 0.00 -1.26 -3.71 121.76 130.70 3gwa s ALA 53 Ca -0.12 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 3gwa s ALA 53 Cb -0.16 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.44 3gwa s ALA 53 CO 0.03 -1.26 1.09 0.00 0.00 0.00 0.00 175.76 175.62 3gwa n ALA 54 N -0.64 -0.08 -0.31 0.00 0.00 -1.26 -4.88 120.51 113.35 3gwa n ALA 54 Ca 0.08 -0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.42 3gwa n ALA 54 Cb 0.44 -2.19 0.33 0.00 0.00 0.00 0.00 19.45 18.03 3gwa n ALA 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gwa h PRO 55 N -0.51 0.27 -0.49 0.00 0.11 -2.05 -0.76 132.00 128.57 3gwa h PRO 55 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gwa h PRO 55 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gwa h PRO 55 CO 0.47 0.18 0.00 0.54 -0.21 0.00 0.00 178.00 178.98 3gwa n ARG 56 N -5.14 2.73 -3.22 1.05 1.74 -1.26 -4.93 116.66 107.63 3gwa n ARG 56 Ca 0.23 -2.27 -0.39 0.00 -0.77 0.00 0.00 57.85 54.65 3gwa n ARG 56 Cb 0.73 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.02 4.20 0.42 5.56 2.12 -0.29 -5.07 118.70 124.62 3gwa s GLU 57 Ca 0.34 0.47 0.07 0.00 0.36 0.00 0.00 54.97 56.21 3gwa s GLU 57 Cb 0.18 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 31.02 3gwa s GLU 57 CO 0.23 -0.16 0.58 0.95 -0.54 0.00 0.00 175.26 176.32 3gwa s THR 58 N 1.66 3.05 0.22 -1.70 -4.23 -1.26 -4.57 115.64 108.82 3gwa s THR 58 Ca 0.25 -0.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.71 3gwa s THR 58 Cb -0.16 -3.03 0.17 0.00 1.34 0.00 0.00 72.50 70.82 3gwa s THR 58 CO 0.10 -0.01 1.80 0.00 -0.54 0.00 0.00 174.62 175.97 3gwa h ALA 59 N 0.62 0.97 -0.94 3.99 0.00 -1.89 -1.55 119.26 120.45 3gwa h ALA 59 Ca -0.41 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3gwa h ALA 59 Cb 1.28 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3gwa h ALA 59 CO 0.46 0.03 0.61 0.00 0.00 0.00 0.00 179.25 180.35 3gwa h ALA 60 N 1.39 1.46 -0.82 0.00 0.00 -1.91 -0.17 119.26 119.21 3gwa h ALA 60 Ca 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3gwa h ALA 60 Cb 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3gwa h ALA 60 CO -0.22 0.40 0.46 -0.44 0.00 0.00 0.00 179.25 179.46 3gwa h ASP 61 N 1.10 1.01 -0.38 0.00 3.32 -1.68 -0.21 116.42 119.58 3gwa h ASP 61 Ca 0.40 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 3gwa h ASP 61 Cb 0.16 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3gwa h ASP 61 CO -0.15 0.80 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.80 3gwa h LEU 62 N 1.14 0.92 -0.96 1.55 3.38 -0.65 -2.67 115.31 118.02 3gwa h LEU 62 Ca 0.29 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3gwa h LEU 62 Cb 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3gwa h LEU 62 CO -0.05 1.17 0.44 0.00 0.09 0.00 0.00 178.44 180.09 3gwa h ALA 63 N 0.78 1.20 -0.24 1.53 0.00 -0.79 -1.39 119.26 120.34 3gwa h ALA 63 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gwa h ALA 63 Cb 0.88 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3gwa h ALA 63 CO 0.08 0.63 -0.06 -0.92 0.00 0.00 0.00 179.25 178.98 3gwa h TYR 64 N 1.18 -0.13 -0.69 0.00 3.20 -0.91 -0.57 116.97 119.05 3gwa h TYR 64 Ca 0.29 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3gwa h TYR 64 Cb 0.06 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3gwa h TYR 64 CO 0.01 -0.10 0.18 0.93 -1.64 0.00 0.00 178.16 177.54 3gwa h GLU 65 N 0.00 1.09 -0.48 1.82 4.39 -1.13 -1.42 114.58 118.85 3gwa h GLU 65 Ca 0.12 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3gwa h GLU 65 Cb 0.18 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3gwa h GLU 65 CO -0.25 0.96 0.28 0.00 -1.16 0.00 0.00 179.01 178.84 3gwa h ALA 66 N 1.15 0.62 -0.49 3.43 0.00 -0.93 -1.58 119.26 121.45 3gwa h ALA 66 Ca 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gwa h ALA 66 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3gwa h ALA 66 CO -0.00 0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.52 3gwa h ALA 67 N 1.13 0.64 -0.65 0.00 0.00 -0.86 -0.77 119.26 118.75 3gwa h ALA 67 Ca 0.17 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3gwa h ALA 67 Cb 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3gwa h ALA 67 CO -0.03 0.30 0.36 0.00 0.00 0.00 0.00 179.25 179.87 3gwa h ARG 68 N 0.66 0.65 -0.72 0.00 2.47 -1.11 -0.98 114.38 115.34 3gwa h ARG 68 Ca 0.16 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 3gwa h ARG 68 Cb 0.27 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 3gwa h ARG 68 CO -0.01 0.43 0.31 0.87 0.56 0.00 0.00 179.97 182.13 3gwa h LYS 69 N 0.67 1.06 -0.28 0.04 1.57 -0.99 -1.61 116.57 117.03 3gwa h LYS 69 Ca 0.29 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3gwa h LYS 69 Cb 0.18 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3gwa h LYS 69 CO -0.18 0.86 0.12 1.25 -0.57 0.00 0.00 179.45 180.92 3gwa h LEU 70 N 1.02 0.15 -1.07 2.94 5.85 -0.49 -2.25 115.31 121.47 3gwa h LEU 70 Ca 0.24 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3gwa h LEU 70 Cb 0.18 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3gwa h LEU 70 CO -0.02 0.12 0.09 -0.26 -0.34 0.00 0.00 178.44 178.03 3gwa h PHE 71 N 0.26 0.78 0.00 1.25 0.04 -0.91 -2.19 116.94 116.17 3gwa h PHE 71 Ca 0.12 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 3gwa h PHE 71 Cb 0.07 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 3gwa h PHE 71 CO -0.12 0.68 -0.12 0.00 -0.60 0.00 0.00 178.31 178.16 3gwa h ALA 72 N 1.37 1.10 0.00 2.45 0.00 -0.94 -2.46 119.26 120.78 3gwa h ALA 72 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gwa h ALA 72 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gwa h ALA 72 CO 0.00 0.14 0.00 1.96 0.00 0.00 0.00 179.25 181.36 3gwa h GLN 73 N 0.00 0.00 0.00 0.00 4.20 -0.81 -3.48 115.11 115.03 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 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3gwa h GLN 73 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 3gwa n GLY 74 N 0.29 0.72 0.09 3.46 0.00 -0.93 -4.92 105.19 103.91 3gwa n GLY 74 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.46 -2.74 4.61 0.00 -1.82 -3.47 119.26 116.29 3gwa h ALA 75 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 54.91 53.56 3gwa h ALA 75 Cb 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 17.79 17.88 3gwa h ALA 75 CO 0.00 1.31 -0.68 0.14 0.00 0.00 0.00 179.25 180.02 3gwa s VAL 76 N -2.63 0.14 0.26 0.00 -7.23 -1.26 -5.05 120.40 104.63 3gwa s VAL 76 Ca -0.06 -1.18 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 3gwa s VAL 76 Cb 0.08 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.31 3gwa s VAL 76 CO 0.83 -0.65 -0.12 -0.83 -0.31 0.00 0.00 175.10 174.02 3gwa s GLY 77 N -1.91 1.72 0.35 2.32 0.00 -1.26 -4.30 107.32 104.23 3gwa s GLY 77 Ca -0.09 -1.82 0.09 0.00 0.00 0.00 0.00 44.72 42.89 3gwa s GLY 77 CO -0.04 -1.85 1.85 0.00 0.00 0.00 0.00 173.10 173.07 3gwa h ALA 78 N 2.36 1.81 0.00 3.20 0.00 -1.92 -1.45 119.26 123.27 3gwa h ALA 78 Ca -0.39 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3gwa h ALA 78 Cb 1.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gwa h ALA 78 CO 0.64 -0.08 -0.05 0.38 0.00 0.00 0.00 179.25 180.15 3gwa h ASP 79 N 0.71 0.00 1.25 0.00 2.03 -1.93 -2.59 116.42 115.88 3gwa h ASP 79 Ca 0.47 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.69 3gwa h ASP 79 Cb 0.76 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.25 3gwa h ASP 79 CO -0.23 0.05 -0.78 1.56 -1.03 0.00 0.00 179.24 178.80 3gwa h GLN 80 N 0.00 0.00 -6.47 4.15 4.20 -1.68 -3.46 115.11 111.86 3gwa h GLN 80 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.17 3gwa h GLN 80 Cb 0.14 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.93 3gwa h GLN 80 CO 0.01 0.23 0.85 0.08 -0.67 0.00 0.00 178.83 179.33 3gwa s VAL 81 N -3.09 3.30 0.00 -0.54 1.01 -0.98 -4.51 120.40 115.60 3gwa s VAL 81 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3gwa s VAL 81 Cb 0.08 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3gwa s VAL 81 CO 0.76 0.02 0.79 -0.90 0.00 0.00 0.00 175.10 175.78 3gwa n ASP 82 N 4.87 1.42 -3.64 3.32 5.68 -0.63 -4.51 116.55 123.07 3gwa n ASP 82 Ca 0.13 -1.63 -0.13 0.00 -0.50 0.00 0.00 54.79 52.66 3gwa n ASP 82 Cb 0.42 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.63 -0.79 -0.12 2.11 5.36 -1.19 -1.61 117.98 121.12 3gwa s PHE 83 Ca 0.00 1.86 0.02 0.00 -0.96 0.00 0.00 56.93 57.85 3gwa s PHE 83 Cb 0.00 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 3gwa s PHE 83 CO 0.00 -0.38 -0.18 0.08 -1.46 0.00 0.00 175.22 173.28 3gwa s VAL 84 N 0.54 1.73 -0.19 3.12 1.01 0.81 -0.33 120.40 127.10 3gwa s VAL 84 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3gwa s VAL 84 Cb -0.05 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3gwa s VAL 84 CO -0.02 0.49 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 3gwa s ILE 85 N 0.93 2.31 -0.31 2.22 1.01 -0.38 -1.44 121.20 125.54 3gwa s ILE 85 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3gwa s ILE 85 Cb -0.15 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3gwa s ILE 85 CO -0.02 0.52 0.10 -0.22 0.00 0.00 0.00 174.94 175.32 3gwa s LEU 86 N 1.29 4.02 -0.34 2.97 2.96 -0.43 -0.10 118.68 129.05 3gwa s LEU 86 Ca 0.04 -0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 53.00 3gwa s LEU 86 Cb -0.13 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3gwa s LEU 86 CO -0.11 -0.23 0.46 0.00 -1.32 0.00 0.00 176.35 175.15 3gwa s THR 88 N 2.25 0.05 -0.15 0.00 -1.32 -0.80 -1.70 115.64 113.97 3gwa s THR 88 Ca 0.16 -0.39 0.18 0.00 -1.21 0.00 0.00 61.69 60.43 3gwa s THR 88 Cb -0.16 -0.85 0.38 0.00 -1.51 0.00 0.00 72.50 70.36 3gwa s THR 88 CO 0.13 -0.21 1.25 0.00 -2.21 0.00 0.00 174.62 173.57 3gwa n GLN 89 N 0.82 1.85 -3.11 7.08 6.02 -1.26 -4.34 117.38 124.45 3gwa n GLN 89 Ca -0.20 -2.70 -0.19 0.00 -0.01 0.00 0.00 57.00 53.90 3gwa n GLN 89 Cb 0.58 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.11 1.64 -1.31 -1.58 0.00 -1.26 -4.96 120.51 111.92 3gwa n ALA 90 Ca 0.18 -3.04 -0.30 0.00 0.00 0.00 0.00 53.44 50.28 3gwa n ALA 90 Cb 0.73 -0.93 0.11 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.22 1.77 0.09 0.00 0.02 -1.26 -4.12 135.00 130.28 3gwa s PRO 91 Ca 0.35 0.87 -0.21 0.00 0.02 0.00 0.00 61.00 62.03 3gwa s PRO 91 Cb 0.24 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.78 3gwa s PRO 91 CO -0.11 -1.90 1.68 -0.44 -0.33 0.00 0.00 177.00 175.90 3gwa h ASP 92 N -1.30 0.16 -4.57 2.53 5.19 -1.97 -3.46 116.42 113.00 3gwa h ASP 92 Ca -0.47 -0.09 -0.23 0.00 -0.62 0.00 0.00 57.03 55.62 3gwa h ASP 92 Cb 1.26 -0.04 -0.15 0.00 0.18 0.00 0.00 39.33 40.58 3gwa h ASP 92 CO 0.55 0.21 -0.70 -0.31 -3.12 0.00 0.00 179.24 175.87 3gwa s TYR 93 N -5.83 0.92 0.20 4.55 1.51 -1.26 -5.02 117.35 112.41 3gwa s TYR 93 Ca -0.13 -0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 54.91 3gwa s TYR 93 Cb 0.07 -0.53 0.24 0.00 -0.11 0.00 0.00 41.96 41.64 3gwa s TYR 93 CO 0.69 -0.14 1.73 0.28 -1.11 0.00 0.00 175.55 177.00 3gwa h VAL 94 N 2.95 0.74 -2.03 0.71 2.07 -2.04 -3.45 116.25 115.20 3gwa h VAL 94 Ca -0.35 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3gwa h VAL 94 Cb 1.17 0.39 -0.20 0.00 -1.52 0.00 0.00 31.29 31.13 3gwa h VAL 94 CO 0.65 0.06 0.16 -1.48 0.02 0.00 0.00 177.57 176.97 3gwa s LEU 95 N -10.44 -0.65 0.83 2.57 0.05 -1.26 -4.78 118.68 105.00 3gwa s LEU 95 Ca -0.13 0.97 -0.12 0.00 0.05 0.00 0.00 54.13 54.90 3gwa s LEU 95 Cb 0.16 2.48 0.09 0.00 -2.05 0.00 0.00 46.19 46.87 3gwa s LEU 95 CO 0.74 -0.48 1.11 -2.16 -0.55 0.00 0.00 176.35 175.01 3gwa s PRO 96 N -0.63 1.84 0.14 1.48 0.04 -1.26 -5.12 135.00 131.49 3gwa s PRO 96 Ca -0.07 0.54 -0.34 0.00 0.04 0.00 0.00 61.00 61.16 3gwa s PRO 96 Cb -0.02 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.47 3gwa s PRO 96 CO 0.07 -1.77 1.39 2.41 0.04 0.00 0.00 177.00 179.14 3gwa n THR 97 N -3.52 0.27 0.01 1.26 -1.04 -1.26 -4.47 114.28 105.54 3gwa n THR 97 Ca 0.07 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3gwa n THR 97 Cb 0.57 -1.14 0.20 0.00 -1.82 0.00 0.00 70.33 68.15 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 4.74 0.50 -0.22 8.00 0.02 -1.95 -2.71 113.55 121.93 3gwa h SER 98 Ca -0.46 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 3gwa h SER 98 Cb 1.30 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3gwa h SER 98 CO 0.80 0.73 0.15 0.00 -1.14 0.00 0.00 176.83 177.37 3gwa h ALA 99 N 1.31 2.00 -0.54 3.77 0.00 -1.92 -1.98 119.26 121.91 3gwa h ALA 99 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gwa h ALA 99 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3gwa h ALA 99 CO 0.05 -0.04 0.16 0.00 0.00 0.00 0.00 179.25 179.43 3gwa h MET 101 N 0.74 0.63 -0.63 0.00 2.86 -1.48 -2.98 114.93 114.07 3gwa h MET 101 Ca 0.17 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3gwa h MET 101 Cb 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3gwa h MET 101 CO -0.00 0.84 0.20 -0.07 1.06 0.00 0.00 176.91 178.93 3gwa h LEU 102 N 0.54 0.90 -0.47 1.22 3.38 -1.04 0.26 115.31 120.11 3gwa h LEU 102 Ca 0.07 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.98 3gwa h LEU 102 Cb 0.76 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3gwa h LEU 102 CO 0.06 0.84 -0.03 -0.61 0.09 0.00 0.00 178.44 178.79 3gwa h GLN 103 N 0.93 0.08 -0.10 1.13 -0.00 -1.05 -0.16 115.11 115.95 3gwa h GLN 103 Ca 0.21 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.82 3gwa h GLN 103 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.73 3gwa h GLN 103 CO -0.01 0.05 -0.08 1.25 0.00 0.00 0.00 178.83 180.04 3gwa h HIS 104 N 0.08 0.27 -0.80 3.99 2.76 -1.38 -0.89 115.15 119.18 3gwa h HIS 104 Ca 0.23 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.39 3gwa h HIS 104 Cb 0.35 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.20 3gwa h HIS 104 CO -0.33 0.64 0.52 0.00 -1.30 0.00 0.00 177.93 177.46 3gwa h ARG 105 N -0.17 0.83 -0.01 5.26 3.08 -0.72 -1.96 114.38 120.69 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 0.58 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gwa h ARG 105 CO 0.02 0.55 -0.20 1.28 -1.07 0.00 0.00 179.97 180.55 3gwa n LEU 106 N -4.49 0.74 -0.91 3.04 4.77 -0.09 -4.93 117.00 115.13 3gwa n LEU 106 Ca 0.12 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3gwa n LEU 106 Cb 0.22 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3gwa n LEU 106 CO 0.33 0.14 -0.10 0.61 -1.33 0.00 0.00 177.39 177.04 3gwa n GLY 107 N 1.33 0.26 3.77 -0.72 0.00 -0.74 -4.86 105.19 104.22 3gwa n GLY 107 Ca 0.13 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.41 3.61 0.69 -0.61 1.01 -0.37 -4.66 121.20 118.47 3gwa s ILE 108 Ca 0.00 1.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.98 3gwa s ILE 108 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3gwa s ILE 108 CO 0.00 0.26 1.24 -2.84 0.00 0.00 0.00 174.94 173.60 3gwa s PRO 109 N -1.76 2.33 0.00 2.79 0.02 -1.26 -4.67 135.00 132.44 3gwa s PRO 109 Ca 0.48 1.89 0.21 0.00 0.02 0.00 0.00 61.00 63.60 3gwa s PRO 109 Cb -0.28 -1.84 0.99 0.00 0.02 0.00 0.00 34.50 33.38 3gwa s PRO 109 CO 0.36 -1.72 1.66 0.25 -0.33 0.00 0.00 177.00 177.21 3gwa n THR 110 N -2.35 0.45 1.54 0.99 -2.24 -1.26 -1.91 114.28 109.50 3gwa n THR 110 Ca 0.14 0.11 0.15 0.00 -2.27 0.00 0.00 64.05 62.18 3gwa n THR 110 Cb 0.49 -0.77 0.72 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.36 0.00 -2.42 4.78 1.44 -1.26 -4.86 115.22 111.53 3gwa n HIS 111 Ca 0.08 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.40 3gwa n HIS 111 Cb 0.19 -0.16 -0.04 0.00 0.12 0.00 0.00 29.99 30.11 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 -2.37 3.30 0.64 1.59 0.00 -0.80 -4.93 121.76 119.18 3gwa s ALA 112 Ca 0.33 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3gwa s ALA 112 Cb 0.21 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3gwa s ALA 112 CO 0.44 -0.29 1.04 0.20 0.00 0.00 0.00 175.76 177.16 3gwa s GLY 113 N -1.04 1.78 -0.27 0.00 0.00 -0.63 -4.88 107.32 102.29 3gwa s GLY 113 Ca 0.50 0.10 -0.21 0.00 0.00 0.00 0.00 44.72 45.11 3gwa s GLY 113 CO 0.39 0.40 0.70 0.00 0.00 0.00 0.00 173.10 174.58 3gwa s ALA 114 N -2.94 -1.79 0.14 3.20 0.00 -1.26 -0.13 121.76 118.99 3gwa s ALA 114 Ca 0.58 2.15 -0.21 0.00 0.00 0.00 0.00 51.96 54.48 3gwa s ALA 114 Cb -0.13 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.79 3gwa s ALA 114 CO 0.49 -0.35 0.54 -0.48 0.00 0.00 0.00 175.76 175.96 3gwa s LEU 115 N 0.87 -0.26 -0.08 0.00 0.05 -0.52 -4.80 118.68 113.94 3gwa s LEU 115 Ca -0.04 -0.06 -0.04 0.00 0.05 0.00 0.00 54.13 54.03 3gwa s LEU 115 Cb -0.05 2.35 -0.04 0.00 -2.05 0.00 0.00 46.19 46.40 3gwa s LEU 115 CO -0.07 -0.91 0.11 -1.81 -0.55 0.00 0.00 176.35 173.11 3gwa s ASP 116 N -2.68 6.03 -0.09 1.48 1.01 -1.26 -1.32 116.67 119.84 3gwa s ASP 116 Ca 0.01 0.33 0.04 0.00 0.71 0.00 0.00 52.55 53.63 3gwa s ASP 116 Cb -0.00 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.05 3gwa s ASP 116 CO -0.11 0.36 -0.20 -0.69 0.21 0.00 0.00 175.17 174.73 3gwa s VAL 117 N -1.07 2.48 -0.51 -1.27 1.01 0.87 -4.92 120.40 116.98 3gwa s VAL 117 Ca 0.18 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3gwa s VAL 117 Cb -0.12 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.39 3gwa s VAL 117 CO 0.08 0.56 0.49 0.21 0.00 0.00 0.00 175.10 176.43 3gwa s ASN 118 N 0.00 6.17 0.13 3.32 3.84 -1.26 -1.90 114.94 125.25 3gwa s ASN 118 Ca -0.07 -1.39 -0.13 0.00 0.21 0.00 0.00 52.86 51.48 3gwa s ASN 118 Cb -0.15 -2.22 0.02 0.00 -0.55 0.00 0.00 41.25 38.35 3gwa s ASN 118 CO 0.05 -0.78 0.35 -0.76 -2.79 0.00 0.00 177.10 173.17 3gwa s LEU 119 N 1.89 0.68 0.00 3.21 1.43 -1.26 -5.03 118.68 119.60 3gwa s LEU 119 Ca 0.06 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3gwa s LEU 119 Cb -0.25 1.59 0.00 0.00 0.03 0.00 0.00 46.19 47.56 3gwa s LEU 119 CO 0.07 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.39 3gwa n GLY 120 N -0.20 0.75 0.33 -3.19 0.00 -1.26 -4.43 105.19 97.18 3gwa n GLY 120 Ca -0.13 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.22 1.65 0.03 0.00 3.41 -1.26 -3.05 113.62 111.17 3gwa n SER 122 Ca -0.03 -1.30 0.04 0.00 -0.26 0.00 0.00 58.87 57.32 3gwa n SER 122 Cb 0.10 0.24 0.42 0.00 -0.26 0.00 0.00 64.21 64.71 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 4.87 0.51 0.91 5.00 0.00 -1.14 -2.93 103.07 110.29 3gwa h GLY 123 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3gwa h GLY 123 CO 0.00 0.20 -0.22 -1.82 0.00 0.00 0.00 176.54 174.71 3gwa h TYR 124 N 0.49 0.73 -0.25 5.60 3.20 -1.80 0.11 116.97 125.05 3gwa h TYR 124 Ca 0.13 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 3gwa h TYR 124 Cb 0.02 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3gwa h TYR 124 CO 0.00 0.91 -0.07 0.28 -1.64 0.00 0.00 178.16 177.64 3gwa h VAL 125 N 0.34 1.29 -0.80 1.81 2.07 -1.88 -0.14 116.25 118.93 3gwa h VAL 125 Ca 0.05 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3gwa h VAL 125 Cb 0.77 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3gwa h VAL 125 CO 0.06 0.34 0.50 1.88 0.02 0.00 0.00 177.57 180.37 3gwa h TYR 126 N 0.23 0.94 -0.80 1.57 0.05 -1.52 -1.79 116.97 115.66 3gwa h TYR 126 Ca 0.06 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.93 3gwa h TYR 126 Cb 0.54 -0.31 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 3gwa h TYR 126 CO 0.05 0.51 0.48 0.78 -1.05 0.00 0.00 178.16 178.94 3gwa h GLY 127 N 0.96 1.19 1.27 3.88 0.00 -0.45 -1.94 103.07 107.98 3gwa h GLY 127 Ca 0.33 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 3gwa h GLY 127 CO -0.14 0.23 0.14 1.41 0.00 0.00 0.00 176.54 178.19 3gwa h LEU 128 N 0.88 0.85 -0.76 3.11 3.38 -0.36 -1.18 115.31 121.24 3gwa h LEU 128 Ca 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3gwa h LEU 128 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3gwa h LEU 128 CO -0.17 0.83 0.37 0.77 0.09 0.00 0.00 178.44 180.32 3gwa h SER 129 N 0.88 0.99 -0.30 -0.43 4.64 -0.75 0.39 113.55 118.96 3gwa h SER 129 Ca 0.19 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 3gwa h SER 129 Cb 0.31 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3gwa h SER 129 CO -0.00 0.85 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.64 3gwa h LEU 130 N 1.07 0.61 -0.34 5.97 3.38 -1.07 -1.86 115.31 123.07 3gwa h LEU 130 Ca 0.26 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3gwa h LEU 130 Cb 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3gwa h LEU 130 CO -0.03 0.85 0.15 0.00 0.09 0.00 0.00 178.44 179.49 3gwa h ALA 131 N 0.78 0.44 -0.52 1.53 0.00 -1.01 -1.50 119.26 118.97 3gwa h ALA 131 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gwa h ALA 131 Cb 0.59 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3gwa h ALA 131 CO 0.03 0.02 0.28 -0.22 0.00 0.00 0.00 179.25 179.37 3gwa h LYS 132 N 0.40 0.54 -0.44 0.00 3.64 -0.93 -1.41 116.57 118.37 3gwa h LYS 132 Ca 0.11 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3gwa h LYS 132 Cb 0.16 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3gwa h LYS 132 CO -0.01 0.36 0.17 0.78 -2.27 0.00 0.00 179.45 178.48 3gwa h GLY 133 N 0.56 0.59 0.96 5.01 0.00 -1.00 0.09 103.07 109.28 3gwa h GLY 133 Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3gwa h GLY 133 CO -0.14 0.04 0.12 1.41 0.00 0.00 0.00 176.54 177.98 3gwa h LEU 134 N 0.35 0.70 -0.19 3.11 3.38 -0.94 -2.44 115.31 119.29 3gwa h LEU 134 Ca 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3gwa h LEU 134 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gwa h LEU 134 CO -0.19 0.74 -0.05 0.58 0.09 0.00 0.00 178.44 179.61 3gwa h VAL 135 N 0.63 1.29 -0.00 1.22 2.07 -1.02 0.23 116.25 120.66 3gwa h VAL 135 Ca 0.15 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3gwa h VAL 135 Cb 0.31 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3gwa h VAL 135 CO -0.00 0.31 -0.03 -0.62 0.02 0.00 0.00 177.57 177.25 3gwa n GLU 136 N -4.63 0.11 -0.13 1.57 1.02 -0.00 -1.99 120.64 116.58 3gwa n GLU 136 Ca -0.05 -0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3gwa n GLU 136 Cb 0.28 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.44 0.37 -1.02 2.62 -2.24 -0.92 -4.74 114.28 106.90 3gwa n THR 137 Ca 0.09 -0.68 -0.01 0.00 -2.27 0.00 0.00 64.05 61.18 3gwa n THR 137 Cb 0.32 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.42 0.47 0.23 3.38 0.00 -0.84 -4.91 105.19 104.94 3gwa n GLY 138 Ca 0.17 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.97 -2.21 4.61 0.00 -1.18 -3.46 119.26 117.99 3gwa h ALA 139 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gwa h ALA 139 Cb 0.18 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.77 3gwa h ALA 139 CO 0.02 0.11 0.02 0.00 0.00 0.00 0.00 179.25 179.40 3gwa s ALA 140 N -3.42 -1.40 -0.32 0.00 0.00 -1.03 -4.98 121.76 110.61 3gwa s ALA 140 Ca 0.04 0.93 0.11 0.00 0.00 0.00 0.00 51.96 53.03 3gwa s ALA 140 Cb 0.08 0.05 -0.14 0.00 0.00 0.00 0.00 23.12 23.11 3gwa s ALA 140 CO 0.63 -0.34 0.38 0.54 0.00 0.00 0.00 175.76 176.96 3gwa n ARG 141 N 1.01 2.28 -3.33 0.00 1.74 -1.26 -3.97 116.66 113.13 3gwa n ARG 141 Ca -0.20 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.73 3gwa n ARG 141 Cb 0.57 -1.10 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 2.02 5.12 -0.55 0.00 1.01 0.21 -1.60 120.40 126.63 3gwa s VAL 143 Ca 0.13 0.88 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 3gwa s VAL 143 Cb -0.13 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.50 3gwa s VAL 143 CO -0.18 0.18 0.75 -0.22 0.00 0.00 0.00 175.10 175.64 3gwa s LEU 144 N 1.64 4.73 -0.37 3.92 2.96 0.55 -0.74 118.68 131.38 3gwa s LEU 144 Ca 0.22 -0.84 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 3gwa s LEU 144 Cb -0.15 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3gwa s LEU 144 CO 0.09 -1.07 0.52 -0.22 -1.32 0.00 0.00 176.35 174.35 3gwa s LEU 145 N 3.14 4.44 -0.10 -0.68 2.96 0.35 -1.25 118.68 127.53 3gwa s LEU 145 Ca 0.19 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3gwa s LEU 145 Cb -0.18 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 3gwa s LEU 145 CO 0.13 -0.53 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.83 3gwa s LEU 146 N 2.41 3.35 0.05 -0.68 1.43 0.86 -0.62 118.68 125.47 3gwa s LEU 146 Ca 0.18 0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.39 3gwa s LEU 146 Cb -0.15 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3gwa s LEU 146 CO 0.14 0.32 -0.26 0.42 0.23 0.00 0.00 176.35 177.19 3gwa s THR 147 N -0.51 2.16 -0.28 5.49 -4.23 -0.61 -0.28 115.64 117.38 3gwa s THR 147 Ca 0.08 -1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 3gwa s THR 147 Cb -0.12 -1.84 0.11 0.00 1.34 0.00 0.00 72.50 71.99 3gwa s THR 147 CO 0.02 0.36 0.85 0.00 -0.54 0.00 0.00 174.62 175.31 3gwa s ALA 148 N -0.82 -2.04 0.01 3.99 0.00 -0.69 -0.65 121.76 121.57 3gwa s ALA 148 Ca 0.12 2.22 -0.02 0.00 0.00 0.00 0.00 51.96 54.28 3gwa s ALA 148 Cb -0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3gwa s ALA 148 CO 0.02 -0.34 0.03 -0.51 0.00 0.00 0.00 175.76 174.96 3gwa s ASP 149 N 1.20 0.14 -0.48 0.00 1.01 -0.74 -4.08 116.67 113.72 3gwa s ASP 149 Ca -0.07 -0.34 0.08 0.00 0.71 0.00 0.00 52.55 52.93 3gwa s ASP 149 Cb -0.04 0.13 0.28 0.00 1.01 0.00 0.00 42.92 44.29 3gwa s ASP 149 CO -0.14 -0.29 0.67 0.35 0.21 0.00 0.00 175.17 175.97 3gwa n THR 150 N 1.73 0.72 0.20 -1.27 -2.24 -1.26 -2.52 114.28 109.63 3gwa n THR 150 Ca -0.22 -4.64 0.17 0.00 -2.27 0.00 0.00 64.05 57.09 3gwa n THR 150 Cb 0.56 -1.68 0.82 0.00 -2.10 0.00 0.00 70.33 67.93 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 3.78 0.00 -0.80 4.78 -1.99 -1.96 -2.09 116.97 118.70 3gwa h TYR 151 Ca 0.12 0.00 0.22 0.00 2.00 0.00 0.00 58.73 61.07 3gwa h TYR 151 Cb 0.79 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.48 3gwa h TYR 151 CO 0.54 0.00 0.56 0.66 -0.00 0.00 0.00 178.16 179.92 3gwa h SER 152 N 0.00 0.10 0.89 3.88 4.64 -1.91 -1.38 113.55 119.76 3gwa h SER 152 Ca 0.09 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3gwa h SER 152 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3gwa h SER 152 CO -0.00 0.04 0.00 0.11 -0.87 0.00 0.00 176.83 176.11 3gwa h LYS 153 N 0.10 0.00 0.00 4.77 1.57 -1.79 -3.07 116.57 118.14 3gwa h LYS 153 Ca 0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 3gwa h LYS 153 Cb 1.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 3gwa h LYS 153 CO -0.04 0.00 -0.25 2.48 -0.57 0.00 0.00 179.45 181.07 3gwa n TYR 154 N -2.60 0.00 -3.23 -1.35 0.18 -0.54 -5.01 117.16 104.60 3gwa n TYR 154 Ca 0.02 -0.69 -0.39 0.00 1.88 0.00 0.00 57.90 58.72 3gwa n TYR 154 Cb 0.27 -0.13 -0.06 0.00 -0.38 0.00 0.00 39.34 39.05 3gwa n TYR 154 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3gwa s LEU 155 N -1.85 4.23 0.24 -3.48 1.43 -1.10 -0.03 118.68 118.12 3gwa s LEU 155 Ca 0.22 0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 3gwa s LEU 155 Cb 0.20 -2.78 -0.10 0.00 0.03 0.00 0.00 46.19 43.55 3gwa s LEU 155 CO 0.00 -0.10 1.36 -2.28 0.23 0.00 0.00 176.35 175.57 3gwa s HIS 156 N 1.07 3.13 0.57 0.29 5.65 -1.26 -4.90 115.29 119.85 3gwa s HIS 156 Ca 0.27 1.16 0.28 0.00 0.25 0.00 0.00 55.06 57.03 3gwa s HIS 156 Cb -0.16 -3.70 1.50 0.00 -1.18 0.00 0.00 32.58 29.04 3gwa s HIS 156 CO 0.11 -2.20 1.97 -1.00 -0.65 0.00 0.00 174.74 172.97 3gwa h PRO 157 N 4.97 0.00 -0.40 2.88 0.13 -1.97 -0.99 132.00 136.62 3gwa h PRO 157 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gwa h PRO 157 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3gwa h PRO 157 CO 0.76 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.81 3gwa n LEU 158 N -3.93 4.13 -4.39 1.56 4.77 -1.26 -4.78 117.00 113.09 3gwa n LEU 158 Ca 0.08 -2.68 -0.45 0.00 -0.03 0.00 0.00 56.01 52.93 3gwa n LEU 158 Cb 0.59 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 3gwa n LEU 158 CO 0.31 0.71 0.77 -0.62 -1.33 0.00 0.00 177.39 177.23 3gwa s ASP 159 N -1.37 6.77 0.32 -1.43 -1.08 -0.38 -1.95 116.67 117.55 3gwa s ASP 159 Ca 0.42 -2.49 0.04 0.00 -0.52 0.00 0.00 52.55 49.99 3gwa s ASP 159 Cb 0.30 -2.31 0.56 0.00 -1.46 0.00 0.00 42.92 40.02 3gwa s ASP 159 CO 0.15 -0.78 1.84 0.11 0.52 0.00 0.00 175.17 177.00 3gwa h LYS 160 N 8.12 0.51 -0.01 4.34 1.57 -1.86 -2.63 116.57 126.61 3gwa h LYS 160 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gwa h LYS 160 Cb 1.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3gwa h LYS 160 CO 0.96 0.58 0.02 0.66 -0.57 0.00 0.00 179.45 181.11 3gwa h SER 161 N 0.48 0.00 0.00 0.86 4.64 -1.98 -2.80 113.55 114.76 3gwa h SER 161 Ca 0.10 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 3gwa h SER 161 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3gwa h SER 161 CO 0.02 0.00 -1.44 1.33 -0.87 0.00 0.00 176.83 175.87 3gwa n VAL 162 N -3.60 0.43 0.19 0.95 0.24 -1.13 -4.56 118.33 110.86 3gwa n VAL 162 Ca -0.03 -0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.05 3gwa n VAL 162 Cb 0.10 -0.80 0.35 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.39 -1.17 114.38 122.24 3gwa h ARG 163 Ca -0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3gwa h ARG 163 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 3gwa h ARG 163 CO 0.01 0.38 -0.01 1.79 -1.07 0.00 0.00 179.97 181.06 3gwa h THR 164 N 0.00 0.02 0.00 2.04 1.35 -1.77 -3.38 112.91 111.18 3gwa h THR 164 Ca -0.00 -0.69 -0.25 0.00 -0.55 0.00 0.00 66.41 64.92 3gwa h THR 164 Cb 0.84 1.67 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 3gwa h THR 164 CO 0.05 0.01 -1.64 -0.11 -0.25 0.00 0.00 175.52 173.58 3gwa n LEU 165 N -3.10 1.91 -4.77 3.87 7.94 -0.80 -4.90 117.00 117.16 3gwa n LEU 165 Ca 0.02 0.39 -0.40 0.00 -1.11 0.00 0.00 56.01 54.91 3gwa n LEU 165 Cb 0.38 -0.84 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 3gwa n LEU 165 CO 0.30 0.17 0.47 -0.36 -1.11 0.00 0.00 177.39 176.86 3gwa s PHE 166 N -2.54 3.85 0.23 1.96 0.08 -0.51 -0.84 117.98 120.21 3gwa s PHE 166 Ca -0.31 1.58 0.09 0.00 0.12 0.00 0.00 56.93 58.41 3gwa s PHE 166 Cb 0.09 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.71 3gwa s PHE 166 CO 0.46 0.44 -0.17 0.20 -0.10 0.00 0.00 175.22 176.06 3gwa s GLY 167 N -0.80 1.58 0.22 4.36 0.00 0.01 -4.78 107.32 107.91 3gwa s GLY 167 Ca 0.36 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.34 3gwa s GLY 167 CO 0.25 -1.82 0.42 0.99 0.00 0.00 0.00 173.10 172.94 3gwa s ASP 168 N -3.35 6.40 0.00 1.64 1.01 0.75 -4.09 116.67 119.03 3gwa s ASP 168 Ca 0.25 0.47 0.00 0.00 0.71 0.00 0.00 52.55 53.98 3gwa s ASP 168 Cb -0.02 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.86 3gwa s ASP 168 CO 0.10 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 176.02 3gwa n GLY 169 N -0.68 0.06 3.37 0.21 0.00 -1.05 -4.55 105.19 102.56 3gwa n GLY 169 Ca -0.04 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.43 0.12 4.61 0.00 -0.06 -1.79 121.76 122.21 3gwa s ALA 170 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.34 3gwa s ALA 170 Cb 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 3gwa s ALA 170 CO 0.00 -0.67 0.23 -1.54 0.00 0.00 0.00 175.76 173.78 3gwa s SER 171 N -2.90 0.09 -0.06 0.00 1.04 0.17 -0.96 113.70 111.09 3gwa s SER 171 Ca 0.11 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.80 3gwa s SER 171 Cb 0.02 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.54 3gwa s SER 171 CO -0.04 -0.80 -0.04 0.00 0.98 0.00 0.00 173.24 173.34 3gwa s ALA 172 N -3.91 0.78 -0.05 5.32 0.00 0.56 -1.58 121.76 122.88 3gwa s ALA 172 Ca 0.10 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3gwa s ALA 172 Cb 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3gwa s ALA 172 CO -0.06 -0.13 -0.21 0.99 0.00 0.00 0.00 175.76 176.35 3gwa s THR 173 N 1.17 1.73 -0.30 0.00 2.01 0.21 -0.71 115.64 119.75 3gwa s THR 173 Ca -0.07 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 3gwa s THR 173 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3gwa s THR 173 CO -0.01 0.49 0.20 0.00 -0.69 0.00 0.00 174.62 174.61 3gwa s ALA 174 N -0.03 3.49 -0.29 7.40 0.00 -0.67 -0.50 121.76 131.17 3gwa s ALA 174 Ca -0.05 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 3gwa s ALA 174 Cb -0.13 -2.52 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 3gwa s ALA 174 CO 0.03 -0.71 0.11 0.08 0.00 0.00 0.00 175.76 175.27 3gwa s VAL 175 N 1.73 4.34 0.28 0.00 1.01 0.08 -0.53 120.40 127.32 3gwa s VAL 175 Ca 0.07 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.71 3gwa s VAL 175 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3gwa s VAL 175 CO 0.10 0.14 -0.16 0.27 0.00 0.00 0.00 175.10 175.45 3gwa s ILE 176 N 1.58 2.29 0.00 2.22 -4.36 -0.27 -0.62 121.20 122.04 3gwa s ILE 176 Ca 0.04 -2.32 -0.30 0.00 -0.26 0.00 0.00 60.65 57.81 3gwa s ILE 176 Cb -0.17 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 3gwa s ILE 176 CO 0.04 -0.38 1.15 0.00 0.24 0.00 0.00 174.94 176.00 3gwa s ALA 177 N -2.62 3.39 0.04 2.27 0.00 -0.71 -1.61 121.76 122.51 3gwa s ALA 177 Ca 0.30 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.00 3gwa s ALA 177 Cb -0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3gwa s ALA 177 CO 0.14 -0.52 -0.17 -2.00 0.00 0.00 0.00 175.76 173.21 3gwa s GLU 178 N 1.50 1.14 -0.04 0.00 2.56 0.17 -4.92 118.70 119.11 3gwa s GLU 178 Ca 0.56 -0.82 -0.20 0.00 0.00 0.00 0.00 54.97 54.51 3gwa s GLU 178 Cb -0.26 -1.19 -0.05 0.00 2.00 0.00 0.00 34.13 34.64 3gwa s GLU 178 CO 0.26 0.30 0.57 -3.38 -0.56 0.00 0.00 175.26 172.44 3gwa s HIS 179 N -0.80 3.62 0.00 5.30 -0.00 -1.26 -1.55 115.29 120.61 3gwa s HIS 179 Ca 0.04 1.11 0.00 0.00 -0.00 0.00 0.00 55.06 56.21 3gwa s HIS 179 Cb -0.08 -2.60 0.00 0.00 -0.00 0.00 0.00 32.58 29.90 3gwa s HIS 179 CO 0.01 0.28 0.00 0.41 -0.00 0.00 0.00 174.74 175.44 3gwa n GLY 180 N 2.73 2.39 2.73 -1.38 0.00 -1.26 -5.00 105.19 105.41 3gwa n GLY 180 Ca -0.07 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.86 3.07 -3.71 1.61 0.28 -1.26 -4.87 120.64 114.90 3gwa n GLU 181 Ca 0.00 -3.96 -0.11 0.00 -0.16 0.00 0.00 57.16 52.93 3gwa n GLU 181 Cb 0.00 -2.26 -0.11 0.00 1.43 0.00 0.00 31.44 30.49 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 -3.85 0.15 -0.36 -1.84 2.96 -1.26 -5.12 118.68 109.36 3gwa s LEU 182 Ca 0.50 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.90 3gwa s LEU 182 Cb 0.42 1.18 0.01 0.00 0.50 0.00 0.00 46.19 48.29 3gwa s LEU 182 CO -0.32 -0.17 1.35 -0.70 -1.32 0.00 0.00 176.35 175.19 3gwa s GLU 183 N 1.16 3.74 0.06 1.98 2.12 -1.26 -4.89 118.70 121.61 3gwa s GLU 183 Ca -0.08 1.07 0.16 0.00 0.36 0.00 0.00 54.97 56.48 3gwa s GLU 183 Cb -0.08 -3.95 -0.14 0.00 0.26 0.00 0.00 34.13 30.22 3gwa s GLU 183 CO -0.09 -1.35 0.83 0.00 -0.54 0.00 0.00 175.26 174.11 3gwa h ARG 184 N 10.00 0.00 -4.12 4.30 2.47 -1.86 -3.40 114.38 121.78 3gwa h ARG 184 Ca -0.27 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.97 3gwa h ARG 184 Cb 1.10 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.06 3gwa h ARG 184 CO 1.06 0.31 -0.79 0.42 0.56 0.00 0.00 179.97 181.54 3gwa s ILE 185 N -2.90 0.79 0.00 2.04 1.01 -1.23 -0.83 121.20 120.09 3gwa s ILE 185 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3gwa s ILE 185 Cb 0.09 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.73 3gwa s ILE 185 CO 0.81 0.31 0.00 0.61 0.00 0.00 0.00 174.94 176.67 3gwa n GLY 186 N 4.60 2.29 3.78 6.18 0.00 0.47 -4.96 105.19 117.54 3gwa n GLY 186 Ca -0.16 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 3gwa n GLY 186 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gwa s PRO 187 N -2.30 -0.46 0.15 1.61 0.04 -1.26 -4.31 135.00 128.46 3gwa s PRO 187 Ca 0.00 -0.35 0.10 0.00 0.04 0.00 0.00 61.00 60.79 3gwa s PRO 187 Cb 0.00 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 3gwa s PRO 187 CO 0.00 -3.16 -0.24 -0.06 0.04 0.00 0.00 177.00 173.58 3gwa s PHE 188 N -3.53 2.16 0.07 0.56 0.08 -1.26 -2.28 117.98 113.78 3gwa s PHE 188 Ca 0.74 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 57.49 3gwa s PHE 188 Cb -0.05 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 3gwa s PHE 188 CO 0.55 0.37 -0.24 0.14 -0.10 0.00 0.00 175.22 175.94 3gwa s VAL 189 N -1.41 1.93 0.16 -0.44 -7.23 0.10 -4.98 120.40 108.52 3gwa s VAL 189 Ca 0.15 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3gwa s VAL 189 Cb -0.09 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3gwa s VAL 189 CO 0.07 0.18 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.52 3gwa s PHE 190 N -0.92 1.69 -0.10 2.82 0.08 -1.26 -1.04 117.98 119.26 3gwa s PHE 190 Ca 0.10 -0.51 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 3gwa s PHE 190 Cb -0.10 -0.84 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3gwa s PHE 190 CO 0.03 0.29 0.38 0.20 -0.10 0.00 0.00 175.22 176.02 3gwa s GLY 191 N -2.73 -0.26 -0.10 4.36 0.00 0.98 -4.93 107.32 104.64 3gwa s GLY 191 Ca 0.15 0.85 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 3gwa s GLY 191 CO 0.06 0.67 0.23 -1.59 0.00 0.00 0.00 173.10 172.46 3gwa s THR 192 N -0.39 -0.04 -0.34 0.90 2.01 -1.26 -1.13 115.64 115.38 3gwa s THR 192 Ca -0.05 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3gwa s THR 192 Cb -0.03 -0.35 0.14 0.00 0.01 0.00 0.00 72.50 72.26 3gwa s THR 192 CO 0.02 0.06 0.25 -0.62 -0.69 0.00 0.00 174.62 173.64 3gwa s ASP 193 N 1.12 2.45 0.11 3.53 -1.08 -0.19 -4.99 116.67 117.62 3gwa s ASP 193 Ca -0.08 -1.73 0.11 0.00 -0.52 0.00 0.00 52.55 50.32 3gwa s ASP 193 Cb -0.10 -0.04 0.52 0.00 -1.46 0.00 0.00 42.92 41.85 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 4.42 -0.78 0.30 2.66 0.00 -1.26 -0.84 105.19 109.70 3gwa n GLY 194 Ca 0.07 0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.25 114.38 114.88 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gwa h ARG 195 CO 0.00 0.03 -0.04 0.41 -1.07 0.00 0.00 179.97 179.30 3gwa n GLY 196 N -0.79 -1.00 0.22 0.04 0.00 -0.59 -4.35 105.19 98.72 3gwa n GLY 196 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 3.71 0.46 0.00 4.61 0.00 -1.28 -1.30 119.26 125.46 3gwa h ALA 197 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gwa h ALA 197 Cb 0.25 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.40 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 -5.33 0.10 0.00 0.00 -0.02 -1.26 -2.84 135.00 125.65 3gwa n PRO 198 Ca 0.07 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3gwa n PRO 198 Cb 0.31 -1.74 0.26 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.93 0.48 -3.27 2.55 3.02 -0.49 -4.61 115.26 111.01 3gwa n ASN 199 Ca 0.01 -0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.30 3gwa n ASN 199 Cb 0.11 0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 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 -3.04 -0.97 -0.19 3.41 2.96 -1.13 -0.70 118.68 119.01 3gwa s LEU 200 Ca 0.11 -0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 3gwa s LEU 200 Cb 0.17 1.37 0.07 0.00 0.50 0.00 0.00 46.19 48.30 3gwa s LEU 200 CO 0.69 -0.33 0.68 -0.51 -1.32 0.00 0.00 176.35 175.57 3gwa s ILE 201 N 2.62 0.00 -0.44 6.68 2.07 -0.58 -4.65 121.20 126.90 3gwa s ILE 201 Ca 0.11 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.26 3gwa s ILE 201 Cb -0.13 -0.97 0.11 0.00 0.13 0.00 0.00 42.46 41.60 3gwa s ILE 201 CO -0.26 -0.01 0.29 -0.69 -1.91 0.00 0.00 174.94 172.36 3gwa s VAL 202 N -0.14 4.02 0.06 4.00 1.01 -1.26 -0.56 120.40 127.53 3gwa s VAL 202 Ca -0.04 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 3gwa s VAL 202 Cb -0.03 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 3gwa s VAL 202 CO 0.04 -0.67 1.34 0.50 0.00 0.00 0.00 175.10 176.30 3gwa h LYS 203 N 8.36 0.51 -6.24 2.72 3.64 -1.72 -3.45 116.57 120.38 3gwa h LYS 203 Ca -0.20 -0.30 -0.65 0.00 -1.27 0.00 0.00 60.65 58.23 3gwa h LYS 203 Cb 1.07 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.82 3gwa h LYS 203 CO 0.80 0.90 -0.63 0.00 -2.27 0.00 0.00 179.45 178.25 3gwa s ALA 204 N -4.15 3.45 0.00 5.00 0.00 -0.22 -4.27 121.76 121.57 3gwa s ALA 204 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3gwa s ALA 204 Cb 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3gwa s ALA 204 CO 0.80 0.73 0.00 0.41 0.00 0.00 0.00 175.76 177.69 3gwa n GLY 205 N 0.57 1.74 0.00 0.00 0.00 -0.19 -4.58 105.19 102.74 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 0.02 0.99 4.77 -1.26 -4.79 117.00 116.74 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 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3gwa n LEU 206 CO 0.00 0.00 -0.53 0.49 -1.33 0.00 0.00 177.39 176.02 3gwa n PHE 207 N 0.00 0.25 -0.08 -1.77 3.72 -1.26 -2.89 117.46 115.43 3gwa n PHE 207 Ca 0.00 0.07 -0.13 0.00 -0.05 0.00 0.00 57.45 57.34 3gwa n PHE 207 Cb 0.00 -0.60 -0.05 0.00 -0.94 0.00 0.00 39.48 37.89 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 0.56 -2.57 -1.08 9.65 -1.98 -3.41 114.38 115.55 3gwa h ARG 208 Ca 0.00 -0.28 -0.57 0.00 -1.10 0.00 0.00 59.98 58.03 3gwa h ARG 208 Cb 0.98 0.00 -0.39 0.00 -1.39 0.00 0.00 29.97 29.18 3gwa h ARG 208 CO 0.00 0.86 -0.84 -2.00 2.80 0.00 0.00 179.97 180.79 3gwa s GLU 209 N -4.41 0.52 0.72 0.20 2.12 -1.25 -5.11 118.70 111.49 3gwa s GLU 209 Ca -0.13 -1.26 -0.16 0.00 0.36 0.00 0.00 54.97 53.78 3gwa s GLU 209 Cb 0.07 -1.26 0.03 0.00 0.26 0.00 0.00 34.13 33.23 3gwa s GLU 209 CO 0.79 -1.20 1.22 -2.30 -0.54 0.00 0.00 175.26 173.23 3gwa n PRO 210 N 4.13 0.67 -1.76 4.30 -0.02 -1.14 -1.03 135.00 140.15 3gwa n PRO 210 Ca 0.11 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 3gwa n PRO 210 Cb 0.38 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.45 2.41 -4.13 -0.52 5.02 -1.26 -4.66 118.16 112.57 3gwa n LYS 211 Ca 0.15 0.85 -0.16 0.00 -2.02 0.00 0.00 58.31 57.13 3gwa n LYS 211 Cb 0.49 -2.62 -0.05 0.00 -0.02 0.00 0.00 35.03 32.84 3gwa n LYS 211 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gwa s SER 212 N -0.32 1.13 0.19 4.39 1.04 -1.26 -5.00 113.70 113.87 3gwa s SER 212 Ca 0.57 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.32 3gwa s SER 212 Cb -0.47 0.65 0.16 0.00 0.10 0.00 0.00 66.02 66.46 3gwa s SER 212 CO 0.61 -1.26 1.80 0.00 0.98 0.00 0.00 173.24 175.37 3gwa h ALA 213 N 2.10 0.74 -0.57 5.32 0.00 -2.00 -2.84 119.26 122.02 3gwa h ALA 213 Ca -0.27 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gwa h ALA 213 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3gwa h ALA 213 CO 0.38 -0.00 0.34 -0.44 0.00 0.00 0.00 179.25 179.52 3gwa h ASP 214 N 0.61 0.53 1.01 0.00 3.32 -1.98 -2.93 116.42 116.99 3gwa h ASP 214 Ca 0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3gwa h ASP 214 Cb 0.12 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3gwa h ASP 214 CO -0.15 0.37 0.00 0.77 -1.72 0.00 0.00 179.24 178.51 3gwa h SER 215 N 0.66 0.00 0.28 6.45 4.64 -1.88 -2.66 113.55 121.05 3gwa h SER 215 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3gwa h SER 215 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3gwa h SER 215 CO -0.12 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.28 3gwa n ALA 216 N -1.87 3.73 -2.20 5.18 0.00 -1.11 -2.59 120.51 121.66 3gwa n ALA 216 Ca 0.03 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 3gwa n ALA 216 Cb 0.30 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 3gwa n ALA 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3gwa s ARG 217 N -2.85 4.37 0.23 0.00 3.52 -1.00 -4.92 118.95 118.29 3gwa s ARG 217 Ca 0.14 1.99 -0.26 0.00 -0.13 0.00 0.00 55.73 57.46 3gwa s ARG 217 Cb 0.18 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 30.22 3gwa s ARG 217 CO 0.69 -0.35 0.85 -1.21 -0.81 0.00 0.00 175.30 174.47 3gwa s GLU 218 N 0.84 4.60 -0.02 5.12 2.02 -1.26 -4.37 118.70 125.62 3gwa s GLU 218 Ca 0.61 1.24 0.01 0.00 0.02 0.00 0.00 54.97 56.85 3gwa s GLU 218 Cb -0.35 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.79 3gwa s GLU 218 CO 0.31 0.47 -0.04 -1.01 0.02 0.00 0.00 175.26 175.01 3gwa s HIS 219 N -1.32 0.56 -0.23 1.61 3.76 -0.32 -4.98 115.29 114.36 3gwa s HIS 219 Ca 0.41 -0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 3gwa s HIS 219 Cb -0.22 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.96 3gwa s HIS 219 CO 0.26 -0.10 0.17 -2.00 -0.85 0.00 0.00 174.74 172.23 3gwa s GLU 220 N 0.47 4.09 0.86 1.40 2.12 -1.26 -2.13 118.70 124.25 3gwa s GLU 220 Ca -0.05 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 54.95 3gwa s GLU 220 Cb -0.09 -3.53 0.17 0.00 0.26 0.00 0.00 34.13 30.94 3gwa s GLU 220 CO -0.00 0.08 1.19 0.16 -0.54 0.00 0.00 175.26 176.15 3gwa s ASP 221 N 0.98 3.61 0.35 -1.70 1.47 0.37 -4.93 116.67 116.83 3gwa s ASP 221 Ca 0.08 0.00 0.26 0.00 1.18 0.00 0.00 52.55 54.07 3gwa s ASP 221 Cb -0.13 -0.18 1.25 0.00 -0.34 0.00 0.00 42.92 43.52 3gwa s ASP 221 CO 0.04 -2.38 1.78 0.00 0.68 0.00 0.00 175.17 175.28 3gwa h ALA 222 N -1.19 1.00 -0.24 2.11 0.00 -1.99 -1.31 119.26 117.64 3gwa h ALA 222 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gwa h ALA 222 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gwa h ALA 222 CO 0.39 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.07 3gwa n SER 223 N -2.40 2.97 0.00 0.00 7.64 -1.26 -4.95 113.62 115.62 3gwa n SER 223 Ca -0.00 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.95 3gwa n SER 223 Cb 0.13 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.39 0.73 3.73 0.23 0.00 -0.49 -5.04 105.19 105.74 3gwa n GLY 224 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 7.48 -0.09 1.61 0.01 -1.26 -4.80 114.94 115.45 3gwa s ASN 225 Ca 0.00 1.77 -0.01 0.00 -0.71 0.00 0.00 52.86 53.91 3gwa s ASN 225 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 3gwa s ASN 225 CO 0.00 -0.09 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.77 3gwa s VAL 226 N 0.11 3.92 0.32 1.60 1.01 -0.82 -0.48 120.40 126.06 3gwa s VAL 226 Ca 0.47 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 3gwa s VAL 226 Cb -0.23 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3gwa s VAL 226 CO 0.29 0.58 0.67 0.00 0.00 0.00 0.00 175.10 176.65 3gwa s ARG 227 N -0.62 1.91 0.37 2.72 1.70 -0.91 -3.02 118.95 121.10 3gwa s ARG 227 Ca 0.10 -1.28 0.05 0.00 -0.47 0.00 0.00 55.73 54.12 3gwa s ARG 227 Cb -0.12 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.77 3gwa s ARG 227 CO 0.02 -0.86 0.04 0.95 -1.08 0.00 0.00 175.30 174.37 3gwa s THR 228 N -3.29 1.49 -0.64 4.99 -4.23 -1.26 -1.18 115.64 111.51 3gwa s THR 228 Ca 0.17 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.86 3gwa s THR 228 Cb -0.04 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.15 3gwa s THR 228 CO 0.10 0.00 1.55 0.47 -0.54 0.00 0.00 174.62 176.21 3gwa n ASP 229 N -0.86 0.38 -0.13 3.99 8.00 -1.07 -1.56 116.55 125.31 3gwa n ASP 229 Ca -0.04 0.61 0.13 0.00 0.71 0.00 0.00 54.79 56.21 3gwa n ASP 229 Cb 0.67 -0.69 0.48 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.95 0.57 -3.81 -1.24 1.02 -1.14 -1.06 120.64 113.04 3gwa n GLU 230 Ca 0.02 -0.26 -0.21 0.00 -0.02 0.00 0.00 57.16 56.68 3gwa n GLU 230 Cb 0.15 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.61 2.89 0.28 -0.32 3.76 -0.60 -4.87 115.29 113.82 3gwa s HIS 231 Ca 0.23 -0.31 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 3gwa s HIS 231 Cb 0.19 -1.81 -0.11 0.00 1.11 0.00 0.00 32.58 31.97 3gwa s HIS 231 CO 0.53 0.18 1.56 -1.17 -0.85 0.00 0.00 174.74 174.99 3gwa s LEU 232 N -4.00 4.35 -0.11 0.89 2.96 0.96 -4.44 118.68 119.30 3gwa s LEU 232 Ca 0.41 2.89 0.02 0.00 -0.22 0.00 0.00 54.13 57.22 3gwa s LEU 232 Cb -0.06 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 3gwa s LEU 232 CO 0.26 -0.87 -0.18 -0.47 -1.32 0.00 0.00 176.35 173.78 3gwa s TYR 233 N 0.01 2.70 -0.11 5.38 5.04 0.27 -4.82 117.35 125.83 3gwa s TYR 233 Ca 0.62 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 3gwa s TYR 233 Cb -0.46 -1.78 0.02 0.00 0.35 0.00 0.00 41.96 40.09 3gwa s TYR 233 CO 0.47 -0.27 -0.09 1.41 -1.34 0.00 0.00 175.55 175.72 3gwa s MET 234 N 0.29 1.65 -0.86 4.97 -2.45 -1.26 -1.53 119.30 120.11 3gwa s MET 234 Ca -0.13 -0.31 -0.20 0.00 -1.25 0.00 0.00 55.69 53.80 3gwa s MET 234 Cb -0.16 -1.63 0.11 0.00 1.25 0.00 0.00 34.83 34.40 3gwa s MET 234 CO 0.07 -0.23 1.08 1.21 1.05 0.00 0.00 175.02 178.21 3gwa s ASN 235 N 1.55 6.51 0.25 1.11 3.84 0.12 -4.91 114.94 123.40 3gwa s ASN 235 Ca 0.02 -1.77 -0.04 0.00 0.21 0.00 0.00 52.86 51.28 3gwa s ASN 235 Cb -0.13 -2.40 0.35 0.00 -0.55 0.00 0.00 41.25 38.52 3gwa s ASN 235 CO -0.07 -1.16 1.88 1.23 -2.79 0.00 0.00 177.10 176.18 3gwa h GLY 236 N 10.67 1.41 0.99 1.21 0.00 -1.98 -1.43 103.07 113.94 3gwa h GLY 236 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3gwa h GLY 236 CO 1.13 0.33 0.29 0.00 0.00 0.00 0.00 176.54 178.30 3gwa h ALA 237 N 1.42 0.72 -0.29 3.60 0.00 -1.98 -0.83 119.26 121.89 3gwa h ALA 237 Ca 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3gwa h ALA 237 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gwa h ALA 237 CO -0.16 0.25 -0.00 0.93 0.00 0.00 0.00 179.25 180.27 3gwa h GLU 238 N 0.75 0.51 -0.80 0.00 4.39 -1.83 -1.85 114.58 115.76 3gwa h GLU 238 Ca 0.20 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3gwa h GLU 238 Cb 0.07 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3gwa h GLU 238 CO -0.03 0.67 0.41 0.28 -1.16 0.00 0.00 179.01 179.18 3gwa h VAL 239 N 0.30 1.25 -0.37 3.13 2.07 -1.16 -0.31 116.25 121.17 3gwa h VAL 239 Ca 0.08 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 3gwa h VAL 239 Cb 0.44 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3gwa h VAL 239 CO 0.02 0.28 0.14 -0.03 0.02 0.00 0.00 177.57 178.00 3gwa h MET 240 N 1.13 0.55 -0.49 1.57 1.85 -1.10 -1.09 114.93 117.35 3gwa h MET 240 Ca 0.28 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.26 3gwa h MET 240 Cb 0.07 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 3gwa h MET 240 CO -0.04 0.54 0.29 0.00 -0.40 0.00 0.00 176.91 177.30 3gwa h ALA 241 N 0.98 0.63 -0.37 0.39 0.00 -1.02 -0.91 119.26 118.95 3gwa h ALA 241 Ca 0.12 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gwa h ALA 241 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3gwa h ALA 241 CO -0.01 0.13 0.15 0.35 0.00 0.00 0.00 179.25 179.87 3gwa h PHE 242 N 0.66 0.27 -0.39 0.00 3.57 -0.96 -1.26 116.94 118.82 3gwa h PHE 242 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3gwa h PHE 242 Cb 0.02 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3gwa h PHE 242 CO -0.02 0.12 0.15 0.77 -2.23 0.00 0.00 178.31 177.09 3gwa h SER 243 N 0.31 0.55 -0.01 0.41 0.02 -0.81 -0.05 113.55 113.98 3gwa h SER 243 Ca 0.17 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3gwa h SER 243 Cb 0.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3gwa h SER 243 CO -0.15 0.58 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.88 3gwa h LEU 244 N 0.49 0.31 -0.00 5.07 3.38 -1.08 -1.57 115.31 121.92 3gwa h LEU 244 Ca 0.13 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 3gwa h LEU 244 Cb 0.21 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.90 3gwa h LEU 244 CO -0.01 0.50 -0.96 0.00 0.09 0.00 0.00 178.44 178.06 3gwa h ALA 245 N 1.53 0.12 0.00 1.53 0.00 -0.83 -3.41 119.26 118.20 3gwa h ALA 245 Ca 0.06 -0.67 -0.36 0.00 0.00 0.00 0.00 54.91 53.93 3gwa h ALA 245 Cb 0.47 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3gwa h ALA 245 CO 0.03 0.63 -2.37 0.39 0.00 0.00 0.00 179.25 177.92 3gwa n GLU 246 N -3.92 0.75 0.01 0.00 -0.58 -0.07 -4.35 120.64 112.47 3gwa n GLU 246 Ca -0.11 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.52 3gwa n GLU 246 Cb 0.84 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 30.11 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 1.27 -0.77 2.62 2.07 -1.49 -0.04 116.25 119.92 3gwa h VAL 247 Ca -0.54 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3gwa h VAL 247 Cb 2.16 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 33.81 3gwa h VAL 247 CO 0.01 0.25 0.40 -0.65 0.02 0.00 0.00 177.57 177.59 3gwa h PRO 248 N -0.46 1.08 -0.53 1.57 0.11 -1.78 -1.17 132.00 130.81 3gwa h PRO 248 Ca -0.00 -0.13 0.02 0.00 0.11 0.00 0.00 66.00 65.99 3gwa h PRO 248 Cb 0.43 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 3gwa h PRO 248 CO 0.01 0.81 0.33 -0.09 -0.21 0.00 0.00 178.00 178.84 3gwa h ARG 249 N 1.08 0.63 -0.45 1.05 2.43 -1.74 -1.43 114.38 115.95 3gwa h ARG 249 Ca 0.27 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3gwa h ARG 249 Cb 0.06 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3gwa h ARG 249 CO -0.04 0.42 0.20 0.00 -1.51 0.00 0.00 179.97 179.05 3gwa h ALA 250 N 1.22 0.58 -0.55 2.80 0.00 -0.50 -0.68 119.26 122.13 3gwa h ALA 250 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gwa h ALA 250 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3gwa h ALA 250 CO -0.08 0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.70 3gwa h ALA 251 N 1.05 0.70 -0.50 0.00 0.00 -0.97 -1.17 119.26 118.38 3gwa h ALA 251 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gwa h ALA 251 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gwa h ALA 251 CO -0.02 0.13 0.07 -0.44 0.00 0.00 0.00 179.25 178.99 3gwa h ASP 252 N 0.74 0.81 -0.52 0.00 3.32 -1.08 -2.20 116.42 117.48 3gwa h ASP 252 Ca 0.21 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.06 3gwa h ASP 252 Cb -0.07 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 3gwa h ASP 252 CO -0.05 0.87 0.20 0.03 -1.72 0.00 0.00 179.24 178.57 3gwa h ARG 253 N 0.71 0.39 -0.33 3.56 3.08 -0.88 -1.31 114.38 119.59 3gwa h ARG 253 Ca 0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3gwa h ARG 253 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3gwa h ARG 253 CO 0.01 0.26 0.10 1.25 -1.07 0.00 0.00 179.97 180.51 3gwa h LEU 254 N 0.40 0.49 -0.56 3.04 5.85 -1.02 0.13 115.31 123.64 3gwa h LEU 254 Ca 0.25 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3gwa h LEU 254 Cb 0.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3gwa h LEU 254 CO -0.24 0.57 0.21 -0.07 -0.34 0.00 0.00 178.44 178.57 3gwa h LEU 255 N 0.38 0.79 -0.48 2.25 3.38 -1.26 -1.15 115.31 119.22 3gwa h LEU 255 Ca 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3gwa h LEU 255 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3gwa h LEU 255 CO -0.00 0.76 0.23 0.00 0.09 0.00 0.00 178.44 179.52 3gwa h ALA 256 N 1.06 0.62 -0.38 1.53 0.00 -1.03 -1.22 119.26 119.84 3gwa h ALA 256 Ca 0.18 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gwa h ALA 256 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3gwa h ALA 256 CO -0.01 0.18 0.22 1.25 0.00 0.00 0.00 179.25 180.88 3gwa h LEU 257 N 0.63 0.35 -0.51 0.00 5.85 -0.58 -2.78 115.31 118.27 3gwa h LEU 257 Ca 0.16 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gwa h LEU 257 Cb 0.11 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3gwa h LEU 257 CO -0.02 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 3gwa h ALA 258 N 1.17 1.00 -1.79 1.25 0.00 -1.06 -3.46 119.26 116.37 3gwa h ALA 258 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 3gwa h ALA 258 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3gwa h ALA 258 CO -0.08 0.00 -0.34 0.41 0.00 0.00 0.00 179.25 179.24 3gwa n GLY 259 N 0.60 0.04 3.66 0.00 0.00 -0.67 -4.98 105.19 103.84 3gwa n GLY 259 Ca 0.03 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3gwa n GLY 259 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gwa s GLU 260 N -4.47 4.16 0.29 1.61 2.56 -0.55 -5.04 118.70 117.26 3gwa s GLU 260 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 54.97 54.90 3gwa s GLU 260 Cb 0.00 -3.56 -0.12 0.00 2.00 0.00 0.00 34.13 32.46 3gwa s GLU 260 CO 0.00 -0.09 1.61 -2.30 -0.56 0.00 0.00 175.26 173.92 3gwa n PRO 261 N 4.64 2.73 0.01 4.30 -0.02 -1.26 -4.69 135.00 140.70 3gwa n PRO 261 Ca -0.08 0.97 0.06 0.00 -2.02 0.00 0.00 63.50 62.43 3gwa n PRO 261 Cb 0.51 -2.76 0.46 0.00 -0.02 0.00 0.00 33.50 31.69 3gwa n PRO 261 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gwa h ARG 262 N 4.94 0.46 0.00 -0.52 2.43 -1.96 -1.71 114.38 118.01 3gwa h ARG 262 Ca -0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3gwa h ARG 262 Cb 1.22 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3gwa h ARG 262 CO 0.80 0.30 -0.01 1.05 -1.51 0.00 0.00 179.97 180.61 3gwa h GLU 263 N 0.47 0.00 0.00 0.20 4.11 -2.05 -2.72 114.58 114.59 3gwa h GLU 263 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3gwa h GLU 263 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3gwa h GLU 263 CO -0.04 0.01 0.00 -0.91 0.07 0.00 0.00 179.01 178.14 3gwa h ASN 264 N 0.00 0.00 -3.33 3.06 4.21 -1.68 -3.43 115.58 114.41 3gwa h ASN 264 Ca -0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 3gwa h ASN 264 Cb 0.17 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.31 3gwa h ASN 264 CO 0.00 0.00 0.85 -0.63 -1.29 0.00 0.00 177.43 176.36 3gwa s ILE 265 N -3.44 4.49 0.08 2.81 -1.09 -1.03 -4.66 121.20 118.37 3gwa s ILE 265 Ca 0.04 1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 60.10 3gwa s ILE 265 Cb 0.09 -4.42 -0.26 0.00 -1.58 0.00 0.00 42.46 36.28 3gwa s ILE 265 CO 0.50 -0.51 1.17 0.44 -1.23 0.00 0.00 174.94 175.32 3gwa h ASP 266 N 8.17 0.56 -3.52 3.58 3.32 -1.00 -3.46 116.42 124.07 3gwa h ASP 266 Ca -0.21 -0.54 -0.19 0.00 0.02 0.00 0.00 57.03 56.11 3gwa h ASP 266 Cb 1.06 -0.18 -0.29 0.00 0.22 0.00 0.00 39.33 40.15 3gwa h ASP 266 CO 1.04 1.39 -0.48 0.00 -1.72 0.00 0.00 179.24 179.46 3gwa s PHE 268 N 0.86 3.28 -0.39 0.00 0.08 0.92 -1.22 117.98 121.52 3gwa s PHE 268 Ca -0.06 -1.21 -0.14 0.00 0.12 0.00 0.00 56.93 55.65 3gwa s PHE 268 Cb -0.07 -3.19 0.02 0.00 -0.57 0.00 0.00 43.02 39.21 3gwa s PHE 268 CO -0.05 -0.85 0.27 0.08 -0.10 0.00 0.00 175.22 174.57 3gwa s VAL 269 N 1.55 5.10 0.10 -0.44 1.01 0.49 -4.08 120.40 124.14 3gwa s VAL 269 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3gwa s VAL 269 Cb -0.25 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3gwa s VAL 269 CO 0.04 -0.25 0.08 -0.76 0.00 0.00 0.00 175.10 174.21 3gwa s LEU 270 N 1.66 3.76 0.00 3.92 1.02 -1.26 -1.53 118.68 126.24 3gwa s LEU 270 Ca 0.04 -0.06 -0.38 0.00 0.02 0.00 0.00 54.13 53.76 3gwa s LEU 270 Cb -0.19 -2.43 -0.17 0.00 0.02 0.00 0.00 46.19 43.42 3gwa s LEU 270 CO 0.09 0.15 1.39 1.57 0.02 0.00 0.00 176.35 179.57 3gwa n HIS 271 N 0.29 1.53 -2.06 0.29 -0.00 0.58 -4.80 115.22 111.05 3gwa n HIS 271 Ca -0.09 0.67 -0.42 0.00 -0.00 0.00 0.00 57.72 57.88 3gwa n HIS 271 Cb 0.52 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 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 2.95 3.45 0.02 1.57 1.13 -1.26 -4.76 117.38 120.48 3gwa n GLN 272 Ca 0.20 -3.16 -0.12 0.00 -1.94 0.00 0.00 57.00 51.99 3gwa n GLN 272 Cb 0.16 -3.02 -0.07 0.00 0.11 0.00 0.00 30.24 27.43 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 5.70 0.04 0.00 -1.58 0.00 -1.95 -3.38 119.26 118.09 3gwa h ALA 273 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3gwa h ALA 273 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gwa h ALA 273 CO 1.71 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 180.82 3gwa n ASN 274 N -5.02 0.00 -0.32 0.00 0.23 -1.26 -4.62 115.26 104.28 3gwa n ASN 274 Ca -0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.94 3gwa n ASN 274 Cb 0.08 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 37.85 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 1.22 -0.18 -3.83 2.43 -0.75 -1.17 114.38 112.09 3gwa h ARG 275 Ca 0.00 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3gwa h ARG 275 Cb 0.00 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3gwa h ARG 275 CO 0.00 0.92 0.10 0.35 -1.51 0.00 0.00 179.97 179.83 3gwa h PHE 276 N 1.21 0.25 -0.37 2.20 3.57 -1.76 0.11 116.94 122.15 3gwa h PHE 276 Ca 0.30 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3gwa h PHE 276 Cb 0.08 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3gwa h PHE 276 CO 0.01 0.23 0.11 1.98 -2.23 0.00 0.00 178.31 178.41 3gwa h MET 277 N 0.20 0.58 -0.62 1.11 4.05 -1.86 -2.31 114.93 116.08 3gwa h MET 277 Ca 0.06 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 3gwa h MET 277 Cb 0.06 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3gwa h MET 277 CO -0.01 0.60 0.05 -0.07 0.23 0.00 0.00 176.91 177.71 3gwa h LEU 278 N 0.45 1.01 -0.49 3.39 3.38 -1.03 -1.39 115.31 120.64 3gwa h LEU 278 Ca 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3gwa h LEU 278 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3gwa h LEU 278 CO -0.00 1.04 0.16 0.44 0.09 0.00 0.00 178.44 180.16 3gwa h ASP 279 N 0.97 0.71 -0.79 -0.43 3.32 -0.74 -0.24 116.42 119.22 3gwa h ASP 279 Ca 0.18 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3gwa h ASP 279 Cb 0.49 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3gwa h ASP 279 CO 0.02 0.72 0.39 0.00 -1.72 0.00 0.00 179.24 178.65 3gwa h ALA 280 N 1.01 1.02 -0.33 3.45 0.00 -1.20 -1.46 119.26 121.75 3gwa h ALA 280 Ca 0.16 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3gwa h ALA 280 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gwa h ALA 280 CO -0.01 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.68 3gwa h LEU 281 N 1.12 0.64 -0.48 0.00 3.38 -1.13 -2.60 115.31 116.23 3gwa h LEU 281 Ca 0.27 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gwa h LEU 281 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gwa h LEU 281 CO -0.04 0.85 0.26 -0.09 0.09 0.00 0.00 178.44 179.52 3gwa h ARG 282 N 0.42 0.50 -0.45 1.13 2.43 -0.79 0.09 114.38 117.70 3gwa h ARG 282 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3gwa h ARG 282 Cb 0.57 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3gwa h ARG 282 CO 0.03 0.33 0.20 0.87 -1.51 0.00 0.00 179.97 179.89 3gwa h LYS 283 N 0.52 0.66 -0.46 0.20 1.57 -1.28 -1.02 116.57 116.76 3gwa h LYS 283 Ca 0.20 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3gwa h LYS 283 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3gwa h LYS 283 CO -0.12 0.58 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.01 3gwa h LYS 284 N 0.59 0.83 -0.00 3.15 3.64 -1.20 -2.93 116.57 120.64 3gwa h LYS 284 Ca 0.15 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3gwa h LYS 284 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gwa h LYS 284 CO -0.02 0.90 -0.11 -1.33 -2.27 0.00 0.00 179.45 176.62 3gwa n MET 285 N -4.16 0.40 -3.69 1.90 2.81 -0.01 -4.95 117.12 109.43 3gwa n MET 285 Ca 0.01 -0.11 -0.22 0.00 -1.81 0.00 0.00 57.70 55.57 3gwa n MET 285 Cb 0.37 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.21 -5.49 -4.42 0.03 5.02 -0.41 -4.99 118.16 106.70 3gwa n LYS 286 Ca 0.12 0.66 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 3gwa n LYS 286 Cb 0.29 -5.39 -0.12 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.53 3.88 0.61 -0.18 1.01 -1.09 -5.08 121.20 116.82 3gwa s ILE 287 Ca 0.16 -0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 3gwa s ILE 287 Cb -0.08 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3gwa s ILE 287 CO 0.80 0.50 1.24 -2.16 0.00 0.00 0.00 174.94 175.31 3gwa s PRO 288 N 0.29 2.86 0.35 2.79 0.04 -1.26 -4.81 135.00 135.25 3gwa s PRO 288 Ca -0.04 1.91 0.07 0.00 0.04 0.00 0.00 61.00 62.98 3gwa s PRO 288 Cb -0.14 -1.91 0.76 0.00 0.04 0.00 0.00 34.50 33.25 3gwa s PRO 288 CO 0.03 -1.32 1.89 0.93 0.04 0.00 0.00 177.00 178.57 3gwa h GLU 289 N 0.81 0.73 0.00 4.56 5.08 -1.99 -1.38 114.58 122.40 3gwa h GLU 289 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 3gwa h GLU 289 Cb 1.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gwa h GLU 289 CO 0.55 0.48 0.00 -2.39 -1.00 0.00 0.00 179.01 176.65 3gwa n HIS 290 N -4.54 0.36 -0.09 4.33 1.44 -1.26 -1.39 115.22 114.06 3gwa n HIS 290 Ca 0.16 0.15 0.08 0.00 -2.01 0.00 0.00 57.72 56.10 3gwa n HIS 290 Cb 0.40 -0.74 0.20 0.00 0.12 0.00 0.00 29.99 29.97 3gwa n HIS 290 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3gwa n LYS 291 N -1.83 2.54 -3.43 -1.40 5.02 -0.52 -4.86 118.16 113.69 3gwa n LYS 291 Ca 0.02 -2.17 -0.28 0.00 -2.02 0.00 0.00 58.31 53.86 3gwa n LYS 291 Cb 0.17 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.07 1.03 0.26 2.13 5.36 -0.49 -0.05 117.98 125.15 3gwa s PHE 292 Ca 0.32 -2.14 -0.29 0.00 -0.96 0.00 0.00 56.93 53.86 3gwa s PHE 292 Cb 0.17 -0.96 -0.10 0.00 -0.34 0.00 0.00 43.02 41.80 3gwa s PHE 292 CO 0.23 -0.82 1.29 -1.25 -1.46 0.00 0.00 175.22 173.21 3gwa s PRO 293 N 0.34 4.40 -0.26 10.12 0.04 -1.26 -4.88 135.00 143.51 3gwa s PRO 293 Ca 0.28 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3gwa s PRO 293 Cb -0.05 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.42 3gwa s PRO 293 CO -0.13 -0.18 -0.02 0.08 0.04 0.00 0.00 177.00 176.79 3gwa s VAL 294 N -0.53 1.57 -0.02 -0.36 1.01 -1.26 -4.74 120.40 116.06 3gwa s VAL 294 Ca 0.52 -1.43 0.09 0.00 0.00 0.00 0.00 61.98 61.17 3gwa s VAL 294 Cb -0.37 -1.93 0.16 0.00 0.00 0.00 0.00 36.38 34.24 3gwa s VAL 294 CO 0.44 -0.25 1.07 0.18 0.00 0.00 0.00 175.10 176.54 3gwa n LEU 295 N 4.62 0.65 -1.41 3.92 4.77 -1.26 -4.83 117.00 123.46 3gwa n LEU 295 Ca -0.08 -1.63 0.08 0.00 -0.03 0.00 0.00 56.01 54.35 3gwa n LEU 295 Cb 0.43 -0.07 0.33 0.00 -2.33 0.00 0.00 43.42 41.78 3gwa n LEU 295 CO 0.18 0.42 0.79 1.15 -1.33 0.00 0.00 177.39 178.60 3gwa n MET 296 N -0.08 3.86 -0.24 3.23 0.00 -1.26 -4.65 117.12 117.97 3gwa n MET 296 Ca 0.04 -2.92 0.09 0.00 0.00 0.00 0.00 57.70 54.91 3gwa n MET 296 Cb 0.81 -1.98 0.36 0.00 0.00 0.00 0.00 33.22 32.41 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 3.15 0.71 -0.12 3.17 4.81 -1.89 0.15 114.58 124.57 3gwa h GLU 297 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3gwa h GLU 297 Cb 1.60 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.82 3gwa h GLU 297 CO 0.31 0.47 0.00 0.72 -0.73 0.00 0.00 179.01 179.78 3gwa n HIS 298 N -4.52 0.15 0.00 0.92 8.25 -1.26 0.36 115.22 119.12 3gwa n HIS 298 Ca 0.15 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3gwa n HIS 298 Cb 0.36 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.85 -1.11 3.58 0.00 0.00 0.52 -4.00 105.19 106.03 3gwa n GLY 300 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 6.51 -0.25 1.61 3.84 -0.02 -4.71 114.94 117.92 3gwa s ASN 301 Ca 0.00 0.20 0.13 0.00 0.21 0.00 0.00 52.86 53.40 3gwa s ASN 301 Cb 0.00 -2.53 0.78 0.00 -0.55 0.00 0.00 41.25 38.95 3gwa s ASN 301 CO 0.00 -1.32 1.73 0.35 -2.79 0.00 0.00 177.10 175.08 3gwa n THR 302 N 6.67 2.77 0.00 -5.21 -2.24 -1.26 -0.81 114.28 114.20 3gwa n THR 302 Ca 0.09 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.34 3gwa n THR 302 Cb 0.49 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.32 0.00 0.31 2.28 0.31 -1.26 -2.32 118.33 117.96 3gwa n VAL 303 Ca 0.30 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.83 3gwa n VAL 303 Cb 1.21 0.00 0.99 0.00 -0.91 0.00 0.00 33.84 35.13 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 0.39 4.52 4.64 -1.85 -2.60 113.55 118.64 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 -0.11 -1.20 -0.87 0.00 0.00 176.83 174.65 3gwa n SER 305 N -3.04 0.43 -0.13 4.97 7.64 -0.98 -4.20 113.62 118.32 3gwa n SER 305 Ca -0.01 -0.52 -0.07 0.00 1.01 0.00 0.00 58.87 59.28 3gwa n SER 305 Cb 0.16 -0.09 0.02 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 0.51 1.02 0.20 0.44 1.35 -1.63 -1.65 112.91 113.14 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 0.36 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3gwa h THR 306 CO 0.00 0.08 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.19 3gwa h LEU 307 N 0.46 -0.23 -1.11 3.87 3.38 -1.84 -0.77 115.31 119.07 3gwa h LEU 307 Ca 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3gwa h LEU 307 Cb 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gwa h LEU 307 CO -0.09 0.07 -0.01 1.55 0.09 0.00 0.00 178.44 180.04 3gwa h PRO 308 N -0.55 0.61 -0.67 1.13 0.13 -1.82 -0.56 132.00 130.27 3gwa h PRO 308 Ca -0.03 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 64.89 3gwa h PRO 308 Cb 0.41 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 3gwa h PRO 308 CO 0.05 0.64 0.16 -0.07 -0.23 0.00 0.00 178.00 178.55 3gwa h LEU 309 N 0.58 1.00 -0.43 1.56 3.38 -1.29 -0.70 115.31 119.41 3gwa h LEU 309 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gwa h LEU 309 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3gwa h LEU 309 CO 0.01 0.96 0.18 0.00 0.09 0.00 0.00 178.44 179.69 3gwa h ALA 310 N 1.16 0.56 -0.93 1.53 0.00 -0.56 -0.30 119.26 120.73 3gwa h ALA 310 Ca 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gwa h ALA 310 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3gwa h ALA 310 CO 0.00 0.16 0.57 -0.07 0.00 0.00 0.00 179.25 179.91 3gwa h LEU 311 N 0.56 1.12 -0.47 0.00 3.38 -0.90 0.12 115.31 119.12 3gwa h LEU 311 Ca 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3gwa h LEU 311 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gwa h LEU 311 CO -0.01 0.86 0.13 -0.08 0.09 0.00 0.00 178.44 179.42 3gwa h GLU 312 N 1.29 0.75 -0.82 1.13 4.81 -0.89 -1.85 114.58 118.99 3gwa h GLU 312 Ca 0.34 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3gwa h GLU 312 Cb -0.06 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3gwa h GLU 312 CO -0.06 0.72 0.40 1.15 -0.73 0.00 0.00 179.01 180.49 3gwa h THR 313 N 0.63 1.25 -0.95 0.32 2.02 -0.59 -1.59 112.91 114.01 3gwa h THR 313 Ca 0.15 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 3gwa h THR 313 Cb 0.30 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3gwa h THR 313 CO -0.00 0.30 0.59 0.24 0.37 0.00 0.00 175.52 177.02 3gwa h MET 314 N 1.16 1.28 -0.39 6.66 2.86 -0.54 0.12 114.93 126.09 3gwa h MET 314 Ca 0.28 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3gwa h MET 314 Cb 0.11 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3gwa h MET 314 CO -0.04 0.88 -0.24 -0.09 1.06 0.00 0.00 176.91 178.49 3gwa h ARG 315 N 1.31 0.78 -0.47 1.72 2.43 -0.96 0.16 114.38 119.34 3gwa h ARG 315 Ca 0.34 -0.32 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3gwa h ARG 315 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3gwa h ARG 315 CO -0.07 0.94 -0.23 0.00 -1.51 0.00 0.00 179.97 179.10 3gwa h ALA 316 N 1.05 0.70 -0.35 2.80 0.00 -0.75 -3.14 119.26 119.57 3gwa h ALA 316 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gwa h ALA 316 Cb 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gwa h ALA 316 CO 0.06 0.67 0.00 0.27 0.00 0.00 0.00 179.25 180.25 3gwa n ASN 317 N -4.11 2.50 -0.06 0.00 0.23 -0.02 -4.95 115.26 108.85 3gwa n ASN 317 Ca -0.00 -1.89 -0.01 0.00 -0.53 0.00 0.00 54.58 52.15 3gwa n ASN 317 Cb 0.46 -0.23 -0.00 0.00 -2.08 0.00 0.00 39.78 37.94 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 1.29 0.43 0.00 4.83 0.00 -0.67 -4.94 105.19 106.13 3gwa n GLY 318 Ca 0.17 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.11 0.00 -4.87 2.61 -2.24 0.47 -4.90 114.28 102.23 3gwa n THR 319 Ca -0.01 -0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 3gwa n THR 319 Cb 0.09 0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.03 2.42 0.05 3.22 2.96 -0.87 -4.96 118.68 118.48 3gwa s LEU 320 Ca 0.06 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3gwa s LEU 320 Cb 0.14 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 3gwa s LEU 320 CO 0.78 0.14 -0.04 0.00 -1.32 0.00 0.00 176.35 175.91 3gwa s ALA 321 N 0.47 0.54 0.37 5.97 0.00 -1.26 -4.49 121.76 123.36 3gwa s ALA 321 Ca -0.12 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 3gwa s ALA 321 Cb -0.16 0.23 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 3gwa s ALA 321 CO 0.05 -0.31 1.50 0.54 0.00 0.00 0.00 175.76 177.55 3gwa n ARG 322 N 0.34 2.70 0.00 0.00 5.12 -1.26 -2.69 116.66 120.87 3gwa n ARG 322 Ca -0.15 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 3gwa n ARG 322 Cb 0.60 -2.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 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 0.55 0.85 3.77 -0.13 0.00 -1.26 -5.02 105.19 103.94 3gwa n GLY 323 Ca 0.02 0.00 -0.39 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 4.32 -0.34 1.61 -1.94 -1.10 -4.76 119.30 116.30 3gwa s MET 324 Ca 0.00 1.86 -0.16 0.00 -1.71 0.00 0.00 55.69 55.68 3gwa s MET 324 Cb 0.00 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 33.92 3gwa s MET 324 CO 0.00 -0.09 0.43 0.50 -0.01 0.00 0.00 175.02 175.84 3gwa s ARG 325 N -1.93 3.63 0.12 2.03 6.06 -1.26 -1.58 118.95 126.02 3gwa s ARG 325 Ca 0.51 -0.26 0.08 0.00 -2.50 0.00 0.00 55.73 53.56 3gwa s ARG 325 Cb -0.32 -3.79 -0.04 0.00 0.06 0.00 0.00 34.95 30.86 3gwa s ARG 325 CO 0.41 -0.55 -0.11 -0.51 -2.50 0.00 0.00 175.30 172.04 3gwa s LEU 326 N 2.18 2.99 -0.17 -0.88 1.43 0.36 -0.39 118.68 124.19 3gwa s LEU 326 Ca 0.15 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3gwa s LEU 326 Cb -0.16 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 3gwa s LEU 326 CO 0.12 0.16 -0.13 -0.32 0.23 0.00 0.00 176.35 176.41 3gwa s MET 327 N -2.35 3.25 -0.15 1.70 -2.45 -0.36 -0.83 119.30 118.12 3gwa s MET 327 Ca 0.22 -0.72 -0.07 0.00 -1.25 0.00 0.00 55.69 53.87 3gwa s MET 327 Cb -0.10 -2.72 -0.04 0.00 1.25 0.00 0.00 34.83 33.21 3gwa s MET 327 CO 0.14 -0.04 0.09 -0.51 1.05 0.00 0.00 175.02 175.74 3gwa s LEU 328 N 0.99 4.03 -0.10 4.11 1.43 -0.06 -0.38 118.68 128.70 3gwa s LEU 328 Ca -0.02 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3gwa s LEU 328 Cb -0.15 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3gwa s LEU 328 CO -0.02 0.29 -0.01 -0.76 0.23 0.00 0.00 176.35 176.07 3gwa s LEU 329 N -0.29 0.84 0.03 1.79 1.43 -0.58 -1.31 118.68 120.58 3gwa s LEU 329 Ca 0.09 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3gwa s LEU 329 Cb -0.12 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 3gwa s LEU 329 CO 0.01 -0.20 -0.17 -0.83 0.23 0.00 0.00 176.35 175.39 3gwa s GLY 330 N 1.89 1.57 -0.28 -3.19 0.00 -0.14 -0.30 107.32 106.86 3gwa s GLY 330 Ca 0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.38 3gwa s GLY 330 CO -0.06 -1.04 0.89 -0.11 0.00 0.00 0.00 173.10 172.77 3gwa s PHE 331 N -0.90 -0.67 0.00 1.90 -0.12 -1.17 -0.99 117.98 116.02 3gwa s PHE 331 Ca 0.14 1.51 0.00 0.00 -0.05 0.00 0.00 56.93 58.53 3gwa s PHE 331 Cb -0.11 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 3gwa s PHE 331 CO 0.05 -0.33 0.00 0.41 -0.05 0.00 0.00 175.22 175.30 3gwa n GLY 332 N 3.03 -0.53 3.56 1.99 0.00 -0.16 -4.55 105.19 108.53 3gwa n GLY 332 Ca -0.15 -0.20 -0.54 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.00 1.61 3.14 -1.26 -1.45 118.33 120.37 3gwa n VAL 333 Ca 0.00 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3gwa n VAL 333 Cb 0.00 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 0.84 3.76 7.55 0.00 -1.26 -3.26 105.19 115.03 3gwa n GLY 334 Ca 0.19 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 2.49 -0.11 1.61 4.12 -0.02 -2.95 117.35 122.49 3gwa s TYR 335 Ca 0.00 1.50 -0.09 0.00 0.02 0.00 0.00 57.07 58.50 3gwa s TYR 335 Cb 0.00 -3.50 0.03 0.00 -1.52 0.00 0.00 41.96 36.98 3gwa s TYR 335 CO 0.00 -2.14 0.28 0.45 0.02 0.00 0.00 175.55 174.16 3gwa s SER 336 N -1.46 -0.30 0.08 2.29 0.15 -0.53 -1.02 113.70 112.91 3gwa s SER 336 Ca 0.74 0.58 -0.13 0.00 0.70 0.00 0.00 55.95 57.84 3gwa s SER 336 Cb -0.31 0.56 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 3gwa s SER 336 CO 0.35 -0.12 0.29 -1.66 1.20 0.00 0.00 173.24 173.30 3gwa s TRP 337 N 0.41 -0.04 -0.06 3.44 -2.14 -0.29 -0.99 118.94 119.27 3gwa s TRP 337 Ca -0.02 -0.23 -0.31 0.00 2.66 0.00 0.00 56.10 58.20 3gwa s TRP 337 Cb -0.04 0.08 0.08 0.00 -3.10 0.00 0.00 33.47 30.49 3gwa s TRP 337 CO -0.02 -0.56 0.72 0.00 -2.66 0.00 0.00 176.95 174.43 3gwa s ALA 338 N -3.27 -1.79 0.05 2.67 0.00 -0.16 -0.01 121.76 119.24 3gwa s ALA 338 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3gwa s ALA 338 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3gwa s ALA 338 CO -0.08 -0.37 -0.08 0.20 0.00 0.00 0.00 175.76 175.43 3gwa s GLY 339 N -1.21 0.56 0.09 0.00 0.00 -0.21 -0.97 107.32 105.58 3gwa s GLY 339 Ca -0.09 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 3gwa s GLY 339 CO 0.08 -0.88 0.27 0.00 0.00 0.00 0.00 173.10 172.57 3gwa s LEU 341 N -2.67 4.24 -0.02 0.00 1.43 -0.96 -0.88 118.68 119.81 3gwa s LEU 341 Ca 0.02 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 3gwa s LEU 341 Cb 0.03 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.86 3gwa s LEU 341 CO -0.10 0.02 -0.01 -0.69 0.23 0.00 0.00 176.35 175.80 3gwa s VAL 342 N -1.70 0.23 -0.62 -1.59 1.01 -0.01 -0.39 120.40 117.33 3gwa s VAL 342 Ca 0.43 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 3gwa s VAL 342 Cb -0.12 -0.28 0.15 0.00 0.00 0.00 0.00 36.38 36.13 3gwa s VAL 342 CO 0.24 0.13 0.58 0.20 0.00 0.00 0.00 175.10 176.25 3gwa s ASN 343 N 0.73 6.33 0.00 3.32 0.01 -0.01 -0.49 114.94 124.84 3gwa s ASN 343 Ca -0.08 -1.99 0.08 0.00 -0.71 0.00 0.00 52.86 50.17 3gwa s ASN 343 Cb -0.11 -2.22 0.50 0.00 0.41 0.00 0.00 41.25 39.84 3gwa s ASN 343 CO -0.01 -0.80 0.95 0.33 -1.51 0.00 0.00 177.10 176.06