#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwa s VAL 17 N 0.00 4.94 -1.24 2.52 1.01 -0.12 -4.17 120.40 123.34 1gwa s VAL 17 Ca 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1gwa s VAL 17 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1gwa s VAL 17 CO 0.00 0.52 0.26 0.61 0.00 0.00 0.00 175.10 176.50 1gwa n GLY 18 N 2.04 -0.24 0.37 4.51 0.00 -1.24 -1.76 105.19 108.87 1gwa n GLY 18 Ca -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1gwa n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwa n GLY 19 N -1.20 1.47 3.04 -0.02 0.00 -1.26 -4.81 105.19 102.41 1gwa n GLY 19 Ca -0.13 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 1gwa n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gwa s THR 20 N 0.37 0.27 0.23 2.61 -4.23 -0.53 -4.92 115.64 109.44 1gwa s THR 20 Ca 0.06 -1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.02 1gwa s THR 20 Cb -0.00 -0.74 -0.10 0.00 1.34 0.00 0.00 72.50 72.99 1gwa s THR 20 CO 0.04 -0.62 1.53 -0.70 -0.54 0.00 0.00 174.62 174.33 1gwa s GLU 21 N -2.26 4.21 0.57 3.99 2.12 -1.26 -1.20 118.70 124.87 1gwa s GLU 21 Ca -0.07 2.40 -0.18 0.00 0.36 0.00 0.00 54.97 57.48 1gwa s GLU 21 Cb -0.05 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1gwa s GLU 21 CO -0.03 -0.55 1.11 0.00 -0.54 0.00 0.00 175.26 175.24 1gwa s ALA 22 N 0.47 2.67 0.42 6.30 0.00 -0.14 -4.83 121.76 126.65 1gwa s ALA 22 Ca 0.65 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 53.04 1gwa s ALA 22 Cb -0.44 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 1gwa s ALA 22 CO 0.39 -0.84 1.22 -0.65 0.00 0.00 0.00 175.76 175.89 1gwa s GLN 23 N -3.56 3.91 0.44 0.00 -1.52 -1.26 -4.88 119.66 112.79 1gwa s GLN 23 Ca 0.70 1.96 0.24 0.00 -1.95 0.00 0.00 55.36 56.31 1gwa s GLN 23 Cb -0.21 -2.63 1.25 0.00 -0.22 0.00 0.00 33.01 31.20 1gwa s GLN 23 CO 0.31 -0.47 1.77 -0.09 -0.25 0.00 0.00 175.29 176.55 1gwa h ARG 24 N 2.47 0.25 -0.48 2.91 2.43 -1.98 -2.63 114.38 117.36 1gwa h ARG 24 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1gwa h ARG 24 Cb 1.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1gwa h ARG 24 CO 0.62 0.17 0.00 0.27 -1.51 0.00 0.00 179.97 179.51 1gwa n ASN 25 N -4.51 3.59 0.01 -3.80 0.23 -1.26 -4.72 115.26 104.81 1gwa n ASN 25 Ca 0.26 -2.19 -0.13 0.00 -0.53 0.00 0.00 54.58 51.99 1gwa n ASN 25 Cb 1.01 -0.39 -0.09 0.00 -2.08 0.00 0.00 39.78 38.23 1gwa n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1gwa h SER 26 N 2.88 -0.04 -2.23 0.53 0.02 -1.83 -3.39 113.55 109.48 1gwa h SER 26 Ca 0.00 -0.43 -0.60 0.00 -0.84 0.00 0.00 61.79 59.92 1gwa h SER 26 Cb 1.00 0.01 -0.42 0.00 0.14 0.00 0.00 62.40 63.13 1gwa h SER 26 CO 0.07 0.42 -0.59 0.79 -1.14 0.00 0.00 176.83 176.37 1gwa n TRP 27 N -4.89 3.81 0.37 3.45 7.02 -1.26 -4.96 117.44 120.97 1gwa n TRP 27 Ca -0.08 -4.08 0.07 0.00 -1.02 0.00 0.00 57.50 52.39 1gwa n TRP 27 Cb 0.24 -0.54 0.31 0.00 -2.42 0.00 0.00 31.31 28.90 1gwa n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1gwa n PRO 28 N 0.41 0.05 0.00 -0.99 -0.04 -1.26 -1.76 135.00 131.41 1gwa n PRO 28 Ca 0.30 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 1gwa n PRO 28 Cb 0.40 -1.60 0.33 0.00 -0.04 0.00 0.00 33.50 32.58 1gwa n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gwa n SER 29 N -1.69 0.99 -4.74 3.54 3.41 -1.22 -1.87 113.62 112.04 1gwa n SER 29 Ca 0.02 -0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 57.40 1gwa n SER 29 Cb 0.14 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1gwa n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1gwa s GLN 30 N -2.59 4.42 0.22 4.33 2.00 -0.72 0.01 119.66 127.33 1gwa s GLN 30 Ca 0.21 1.99 0.09 0.00 -2.00 0.00 0.00 55.36 55.65 1gwa s GLN 30 Cb 0.19 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.73 1gwa s GLN 30 CO 0.56 -0.22 -0.16 0.96 -0.50 0.00 0.00 175.29 175.93 1gwa s ILE 31 N 0.16 1.95 -0.26 -2.34 -5.25 -0.51 -4.47 121.20 110.48 1gwa s ILE 31 Ca 0.56 -2.24 -0.08 0.00 -0.99 0.00 0.00 60.65 57.90 1gwa s ILE 31 Cb -0.35 -2.10 -0.02 0.00 2.95 0.00 0.00 42.46 42.94 1gwa s ILE 31 CO 0.37 -0.52 0.08 -0.55 -1.79 0.00 0.00 174.94 172.53 1gwa s SER 32 N -3.32 5.17 -0.24 4.36 0.15 -0.79 -2.55 113.70 116.50 1gwa s SER 32 Ca 0.24 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.47 1gwa s SER 32 Cb -0.02 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1gwa s SER 32 CO 0.09 -0.07 0.31 -0.22 1.20 0.00 0.00 173.24 174.55 1gwa s LEU 33 N 1.60 4.10 0.13 3.45 2.96 0.16 -1.33 118.68 129.74 1gwa s LEU 33 Ca 0.06 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1gwa s LEU 33 Cb -0.15 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1gwa s LEU 33 CO 0.04 -0.07 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.71 1gwa s GLN 34 N 1.52 1.15 0.07 1.98 -0.21 -0.22 -0.92 119.66 123.04 1gwa s GLN 34 Ca 0.14 -1.25 0.07 0.00 0.02 0.00 0.00 55.36 54.33 1gwa s GLN 34 Cb -0.15 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.55 1gwa s GLN 34 CO 0.08 0.28 -0.19 1.52 -2.12 0.00 0.00 175.29 174.86 1gwa s TYR 35 N -1.62 1.63 0.05 0.91 1.13 -0.04 -0.78 117.35 118.64 1gwa s TYR 35 Ca 0.10 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 55.06 1gwa s TYR 35 Cb -0.08 -0.93 -0.05 0.00 -1.10 0.00 0.00 41.96 39.80 1gwa s TYR 35 CO 0.05 0.12 1.08 0.50 -2.51 0.00 0.00 175.55 174.79 1gwa s ARG 36 N -1.51 4.52 -0.29 -3.49 3.52 -0.68 -0.35 118.95 120.67 1gwa s ARG 36 Ca 0.05 1.60 -0.02 0.00 -0.13 0.00 0.00 55.73 57.22 1gwa s ARG 36 Cb -0.09 -3.39 0.10 0.00 -1.56 0.00 0.00 34.95 30.01 1gwa s ARG 36 CO 0.03 -0.10 0.10 -1.54 -0.81 0.00 0.00 175.30 172.98 1gwa s SER 36 N 0.83 3.72 1.65 -2.12 1.04 -0.36 -4.80 113.70 113.66 1gwa s SER 36 Ca 0.54 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1gwa s SER 36 Cb -0.26 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1gwa s SER 36 CO 0.29 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.71 1gwa n GLY 36 N 5.02 3.37 0.16 7.32 0.00 -1.26 -1.79 105.19 118.01 1gwa n GLY 36 Ca -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1gwa n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gwa h SER 36 N 0.00 0.00 -5.04 1.61 4.64 -2.02 -3.47 113.55 109.26 1gwa h SER 36 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1gwa h SER 36 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gwa h SER 36 CO 0.00 0.25 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.59 1gwa n SER 37 N -3.06 1.45 -3.95 4.97 3.41 -0.74 -5.15 113.62 110.56 1gwa n SER 37 Ca 0.01 -1.87 -0.17 0.00 -0.26 0.00 0.00 58.87 56.58 1gwa n SER 37 Cb 0.64 -0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.31 1gwa n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1gwa s TRP 38 N -1.09 0.59 -0.05 7.33 0.52 -1.26 -1.23 118.94 123.74 1gwa s TRP 38 Ca 0.24 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.29 1gwa s TRP 38 Cb -0.02 -0.44 -0.02 0.00 -1.15 0.00 0.00 33.47 31.85 1gwa s TRP 38 CO 0.15 -0.06 -0.21 0.00 0.02 0.00 0.00 176.95 176.86 1gwa s ALA 39 N 0.19 2.37 0.20 0.98 0.00 0.53 -4.92 121.76 121.10 1gwa s ALA 39 Ca -0.02 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1gwa s ALA 39 Cb -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 1gwa s ALA 39 CO -0.00 0.47 1.19 -1.58 0.00 0.00 0.00 175.76 175.83 1gwa s HIS 40 N -0.39 3.44 0.00 0.00 2.46 -1.26 -0.86 115.29 118.68 1gwa s HIS 40 Ca 0.04 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1gwa s HIS 40 Cb -0.12 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 28.91 1gwa s HIS 40 CO 0.02 -1.13 0.00 -2.37 -2.47 0.00 0.00 174.74 168.79 1gwa n THR 41 N 2.34 0.00 -3.85 0.89 5.66 -0.09 -4.93 114.28 114.30 1gwa n THR 41 Ca 0.04 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.96 1gwa n THR 41 Cb 0.45 -0.32 -0.03 0.00 -1.55 0.00 0.00 70.33 68.88 1gwa n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gwa n GLY 43 N -0.44 1.50 3.66 0.00 0.00 -0.21 0.36 105.19 110.07 1gwa n GLY 43 Ca -0.05 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 1gwa n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gwa s GLY 44 N -4.72 -0.33 -0.13 -0.02 0.00 -1.06 -3.41 107.32 97.66 1gwa s GLY 44 Ca 0.61 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.90 1gwa s GLY 44 CO 0.39 0.13 -0.16 -1.59 0.00 0.00 0.00 173.10 171.87 1gwa s THR 45 N -2.88 1.60 -0.08 0.90 2.01 0.50 -1.43 115.64 116.26 1gwa s THR 45 Ca 0.12 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 1gwa s THR 45 Cb 0.01 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1gwa s THR 45 CO -0.02 0.46 1.51 -0.22 -0.69 0.00 0.00 174.62 175.67 1gwa s LEU 46 N 1.15 4.28 -0.01 4.42 2.96 0.10 -0.83 118.68 130.75 1gwa s LEU 46 Ca -0.02 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.00 1gwa s LEU 46 Cb -0.14 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 1gwa s LEU 46 CO -0.05 -0.86 0.11 2.30 -1.32 0.00 0.00 176.35 176.53 1gwa n ILE 47 N 5.37 0.01 -4.16 6.68 -5.35 -0.51 0.39 119.36 121.78 1gwa n ILE 47 Ca 0.16 -0.12 -0.11 0.00 -0.27 0.00 0.00 62.75 62.42 1gwa n ILE 47 Cb 0.43 0.35 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 1gwa n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1gwa s ARG 48 N -2.34 1.07 0.63 6.28 1.81 -0.96 -4.76 118.95 120.68 1gwa s ARG 48 Ca -0.02 -1.51 0.37 0.00 -1.72 0.00 0.00 55.73 52.85 1gwa s ARG 48 Cb 0.03 0.26 2.12 0.00 -0.45 0.00 0.00 34.95 36.91 1gwa s ARG 48 CO 0.21 -0.33 2.31 1.96 -0.68 0.00 0.00 175.30 178.76 1gwa h GLN 49 N 2.73 0.00 0.00 3.54 4.20 -1.96 -2.17 115.11 121.46 1gwa h GLN 49 Ca -0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 1gwa h GLN 49 Cb 1.22 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 1gwa h GLN 49 CO 0.55 0.00 -0.27 0.27 -0.67 0.00 0.00 178.83 178.72 1gwa n ASN 50 N -3.45 1.67 -3.93 1.46 6.94 -1.26 -1.85 115.26 114.84 1gwa n ASN 50 Ca -0.03 -2.95 -0.17 0.00 -0.02 0.00 0.00 54.58 51.41 1gwa n ASN 50 Cb 0.08 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 36.96 1gwa n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1gwa s TRP 51 N -2.17 0.51 -0.02 -2.53 0.52 -0.82 -0.48 118.94 113.95 1gwa s TRP 51 Ca 0.27 -0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.35 1gwa s TRP 51 Cb 0.25 -0.39 -0.01 0.00 -1.15 0.00 0.00 33.47 32.17 1gwa s TRP 51 CO -0.01 -0.06 -0.21 0.08 0.02 0.00 0.00 176.95 176.77 1gwa s VAL 52 N 0.22 1.70 -0.23 4.03 1.01 0.49 -1.42 120.40 126.19 1gwa s VAL 52 Ca -0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1gwa s VAL 52 Cb -0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1gwa s VAL 52 CO -0.00 0.48 0.12 -0.32 0.00 0.00 0.00 175.10 175.38 1gwa s MET 53 N -0.41 3.97 0.00 2.72 1.75 -0.01 0.84 119.30 128.15 1gwa s MET 53 Ca 0.06 -0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 1gwa s MET 53 Cb -0.09 -3.43 0.00 0.00 2.84 0.00 0.00 34.83 34.15 1gwa s MET 53 CO -0.00 0.06 0.00 -2.37 -0.65 0.00 0.00 175.02 172.06 1gwa n THR 54 N 4.25 0.00 -3.51 10.11 5.66 -0.22 -0.37 114.28 130.20 1gwa n THR 54 Ca -0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.48 1gwa n THR 54 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1gwa n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gwa s ALA 55 N -1.93 3.69 0.34 1.79 0.00 -1.26 -1.29 121.76 123.11 1gwa s ALA 55 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1gwa s ALA 55 Cb 0.00 -2.36 0.65 0.00 0.00 0.00 0.00 23.12 21.41 1gwa s ALA 55 CO 0.00 0.51 1.95 0.00 0.00 0.00 0.00 175.76 178.21 1gwa h ALA 56 N 4.23 1.61 0.00 0.00 0.00 -1.65 -2.38 119.26 121.07 1gwa h ALA 56 Ca -0.50 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gwa h ALA 56 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1gwa h ALA 56 CO 0.64 0.27 -0.01 1.12 0.00 0.00 0.00 179.25 181.27 1gwa h HIS 57 N 0.87 0.00 0.00 0.00 2.07 -1.92 -1.55 115.15 114.62 1gwa h HIS 57 Ca 0.33 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.79 1gwa h HIS 57 Cb 0.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 1gwa h HIS 57 CO -0.00 0.01 -0.32 0.00 -3.07 0.00 0.00 177.93 174.55 1gwa n VAL 59 N -3.67 2.28 0.07 0.00 0.24 -0.59 -4.62 118.33 112.05 1gwa n VAL 59 Ca -0.01 -3.17 -0.09 0.00 -2.04 0.00 0.00 64.34 59.03 1gwa n VAL 59 Cb 0.43 -0.27 0.01 0.00 -1.47 0.00 0.00 33.84 32.55 1gwa n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1gwa h ASP 60 N 1.01 0.37 -3.87 -1.34 3.32 -1.59 -3.45 116.42 110.88 1gwa h ASP 60 Ca 0.05 -0.27 -0.49 0.00 0.02 0.00 0.00 57.03 56.34 1gwa h ASP 60 Cb 1.14 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.59 1gwa h ASP 60 CO 0.09 1.03 0.42 -0.13 -1.72 0.00 0.00 179.24 178.93 1gwa s ARG 61 N -3.41 4.48 -0.51 3.56 0.52 -1.26 -4.90 118.95 117.42 1gwa s ARG 61 Ca -0.04 1.61 -0.07 0.00 -0.52 0.00 0.00 55.73 56.71 1gwa s ARG 61 Cb 0.10 -2.92 -0.19 0.00 0.52 0.00 0.00 34.95 32.46 1gwa s ARG 61 CO 0.83 0.12 3.22 0.39 0.02 0.00 0.00 175.30 179.88 1gwa n GLU 62 N 0.69 2.40 -2.75 3.54 -0.58 -1.26 -4.89 120.64 117.79 1gwa n GLU 62 Ca 0.01 -1.32 -0.20 0.00 -0.42 0.00 0.00 57.16 55.23 1gwa n GLU 62 Cb 0.47 -2.23 0.03 0.00 -0.57 0.00 0.00 31.44 29.15 1gwa n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gwa s LEU 63 N 0.05 3.36 -0.39 -4.62 1.43 -1.26 -5.08 118.68 112.18 1gwa s LEU 63 Ca 0.63 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.38 1gwa s LEU 63 Cb 0.25 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1gwa s LEU 63 CO -0.02 -1.08 0.54 -0.89 0.23 0.00 0.00 176.35 175.14 1gwa s THR 64 N -2.66 4.97 0.15 5.49 2.01 -1.26 -5.05 115.64 119.29 1gwa s THR 64 Ca 0.57 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.79 1gwa s THR 64 Cb -0.10 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1gwa s THR 64 CO 0.37 -0.36 0.09 -0.36 -0.69 0.00 0.00 174.62 173.66 1gwa s PHE 65 N 2.48 3.07 0.05 4.92 0.08 -1.26 -1.69 117.98 125.63 1gwa s PHE 65 Ca 0.19 -0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 1gwa s PHE 65 Cb -0.15 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1gwa s PHE 65 CO 0.15 0.52 -0.03 -0.98 -0.10 0.00 0.00 175.22 174.77 1gwa s ARG 65 N -2.92 0.61 -0.00 0.44 1.70 0.04 -2.78 118.95 116.05 1gwa s ARG 65 Ca 0.29 -1.20 0.07 0.00 -0.47 0.00 0.00 55.73 54.43 1gwa s ARG 65 Cb -0.10 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 1gwa s ARG 65 CO 0.22 -0.10 -0.23 0.08 -1.08 0.00 0.00 175.30 174.18 1gwa s VAL 66 N -3.79 2.31 -0.16 4.99 1.01 -0.13 -1.06 120.40 123.57 1gwa s VAL 66 Ca 0.06 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1gwa s VAL 66 Cb 0.07 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1gwa s VAL 66 CO -0.09 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 1gwa s VAL 67 N -0.71 1.94 0.23 2.92 1.01 -0.44 -1.62 120.40 123.73 1gwa s VAL 67 Ca 0.11 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1gwa s VAL 67 Cb -0.10 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1gwa s VAL 67 CO 0.01 0.52 0.22 0.68 0.00 0.00 0.00 175.10 176.52 1gwa s VAL 68 N 1.23 4.62 -1.11 2.92 -7.23 -0.85 -1.88 120.40 118.10 1gwa s VAL 68 Ca 0.02 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1gwa s VAL 68 Cb -0.13 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.33 1gwa s VAL 68 CO -0.10 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 1gwa n GLY 69 N -1.06 1.13 3.81 2.32 0.00 -1.25 -1.53 105.19 108.61 1gwa n GLY 69 Ca -0.08 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1gwa n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gwa s GLU 70 N -2.98 4.13 0.00 1.61 2.56 -1.26 -3.14 118.70 119.61 1gwa s GLU 70 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.57 1gwa s GLU 70 Cb 0.00 -3.26 0.00 0.00 2.00 0.00 0.00 34.13 32.87 1gwa s GLU 70 CO 0.00 0.60 0.00 1.58 -0.56 0.00 0.00 175.26 176.88 1gwa n HIS 71 N 2.00 0.00 -3.95 5.30 -0.00 -1.26 -4.93 115.22 112.38 1gwa n HIS 71 Ca -0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.26 1gwa n HIS 71 Cb 0.51 0.18 -0.14 0.00 -0.00 0.00 0.00 29.99 30.54 1gwa n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1gwa s ASN 72 N -4.99 4.16 0.27 0.26 3.84 -1.26 -1.32 114.94 115.91 1gwa s ASN 72 Ca 0.00 -0.60 -0.03 0.00 0.21 0.00 0.00 52.86 52.43 1gwa s ASN 72 Cb 0.00 -1.68 0.35 0.00 -0.55 0.00 0.00 41.25 39.37 1gwa s ASN 72 CO 0.00 -0.06 1.87 -0.07 -2.79 0.00 0.00 177.10 176.05 1gwa h LEU 73 N 8.06 0.95 -0.56 3.21 3.38 -0.77 -3.30 115.31 126.27 1gwa h LEU 73 Ca -0.39 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gwa h LEU 73 Cb 1.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gwa h LEU 73 CO 0.60 0.79 -0.13 0.59 0.09 0.00 0.00 178.44 180.38 1gwa n ASN 74 N -4.33 1.01 -4.11 -0.43 4.13 -1.26 -4.96 115.26 105.31 1gwa n ASN 74 Ca 0.07 -1.02 -0.10 0.00 1.68 0.00 0.00 54.58 55.22 1gwa n ASN 74 Cb 0.13 0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.31 1gwa n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1gwa s GLN 75 N -2.31 0.67 -0.12 3.52 -0.21 -1.24 -5.13 119.66 114.83 1gwa s GLN 75 Ca 0.31 -1.15 -0.22 0.00 0.02 0.00 0.00 55.36 54.32 1gwa s GLN 75 Cb 0.20 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 1gwa s GLN 75 CO 0.45 -0.04 0.66 1.21 -2.12 0.00 0.00 175.29 175.44 1gwa s ASN 76 N -2.65 6.86 0.06 5.90 2.47 -1.26 -4.69 114.94 121.63 1gwa s ASN 76 Ca 0.05 1.04 0.23 0.00 0.42 0.00 0.00 52.86 54.60 1gwa s ASN 76 Cb 0.03 -2.38 0.13 0.00 -1.45 0.00 0.00 41.25 37.57 1gwa s ASN 76 CO -0.06 -0.16 1.10 0.47 -3.72 0.00 0.00 177.10 174.74 1gwa n ASP 77 N 4.21 0.63 0.00 -4.21 9.92 -1.26 -4.96 116.55 120.88 1gwa n ASP 77 Ca -0.02 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1gwa n ASP 77 Cb 0.51 0.65 0.00 0.00 -0.64 0.00 0.00 41.12 41.63 1gwa n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gwa n GLY 78 N 1.37 0.35 0.00 0.44 0.00 -1.26 -4.86 105.19 101.23 1gwa n GLY 78 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1gwa n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gwa n THR 79 N -2.67 0.00 -2.25 2.61 -2.24 -1.26 -5.10 114.28 103.36 1gwa n THR 79 Ca 0.00 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1gwa n THR 79 Cb 0.15 1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1gwa n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gwa s GLU 80 N -0.30 3.44 -0.02 -0.78 8.01 -1.19 -4.51 118.70 123.35 1gwa s GLU 80 Ca 0.00 1.40 0.03 0.00 0.01 0.00 0.00 54.97 56.41 1gwa s GLU 80 Cb 0.00 -2.04 -0.00 0.00 -4.31 0.00 0.00 34.13 27.78 1gwa s GLU 80 CO 0.00 -0.73 -0.12 -0.65 0.01 0.00 0.00 175.26 173.77 1gwa s GLN 81 N -3.54 1.11 -0.12 1.61 -0.21 -0.58 -4.99 119.66 112.93 1gwa s GLN 81 Ca 0.68 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.66 1gwa s GLN 81 Cb -0.19 -1.03 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 1gwa s GLN 81 CO 0.28 0.20 -0.17 0.71 -2.12 0.00 0.00 175.29 174.20 1gwa s TYR 82 N -0.05 2.73 -0.01 0.91 1.51 -1.26 -2.00 117.35 119.18 1gwa s TYR 82 Ca 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1gwa s TYR 82 Cb -0.07 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1gwa s TYR 82 CO 0.00 -0.30 0.00 0.54 -1.11 0.00 0.00 175.55 174.68 1gwa s VAL 83 N 0.39 0.04 0.82 0.71 0.11 -0.64 -5.01 120.40 116.82 1gwa s VAL 83 Ca -0.13 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 1gwa s VAL 83 Cb -0.17 -0.08 0.09 0.00 -1.53 0.00 0.00 36.38 34.70 1gwa s VAL 83 CO 0.06 0.04 1.09 -0.83 -3.33 0.00 0.00 175.10 172.13 1gwa s GLY 84 N 0.25 1.65 -0.27 6.54 0.00 -1.26 -0.96 107.32 113.27 1gwa s GLY 84 Ca -0.02 0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.72 1gwa s GLY 84 CO -0.01 0.55 0.25 0.14 0.00 0.00 0.00 173.10 174.04 1gwa s VAL 85 N -2.91 5.26 -0.03 1.40 1.01 -1.12 -1.55 120.40 122.47 1gwa s VAL 85 Ca 0.62 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.99 1gwa s VAL 85 Cb -0.18 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.38 1gwa s VAL 85 CO 0.56 0.22 0.73 -0.61 0.00 0.00 0.00 175.10 176.00 1gwa h GLN 86 N 8.28 0.06 -2.53 2.72 4.15 -0.99 -3.46 115.11 123.34 1gwa h GLN 86 Ca -0.34 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 1gwa h GLN 86 Cb 1.18 0.04 -0.22 0.00 0.21 0.00 0.00 27.48 28.69 1gwa h GLN 86 CO 0.59 0.73 -0.11 0.21 -1.93 0.00 0.00 178.83 178.31 1gwa s LYS 87 N -2.61 0.64 -0.19 1.69 2.20 -1.07 -4.99 119.74 115.41 1gwa s LYS 87 Ca -0.07 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 1gwa s LYS 87 Cb 0.08 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.72 1gwa s LYS 87 CO 0.82 -0.11 -0.17 0.42 -0.36 0.00 0.00 175.35 175.95 1gwa s ILE 88 N -0.07 2.31 -0.34 5.43 1.01 -1.26 -1.04 121.20 127.24 1gwa s ILE 88 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1gwa s ILE 88 Cb -0.03 -1.99 0.09 0.00 0.01 0.00 0.00 42.46 40.54 1gwa s ILE 88 CO 0.02 0.52 0.05 -0.69 0.00 0.00 0.00 174.94 174.84 1gwa s VAL 89 N 1.32 2.56 0.40 2.92 1.01 0.32 -4.99 120.40 123.94 1gwa s VAL 89 Ca 0.05 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 59.83 1gwa s VAL 89 Cb -0.13 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1gwa s VAL 89 CO -0.11 -0.48 0.80 0.68 0.00 0.00 0.00 175.10 175.99 1gwa s VAL 90 N 1.02 4.71 0.07 2.92 -7.23 -1.26 -0.83 120.40 119.80 1gwa s VAL 90 Ca 0.06 0.81 -0.34 0.00 -1.81 0.00 0.00 61.98 60.70 1gwa s VAL 90 Cb -0.20 -3.69 -0.13 0.00 0.56 0.00 0.00 36.38 32.91 1gwa s VAL 90 CO -0.06 -0.45 1.67 1.57 -0.31 0.00 0.00 175.10 177.52 1gwa n HIS 91 N -1.08 2.27 0.20 2.82 -0.00 -0.66 -4.84 115.22 113.93 1gwa n HIS 91 Ca 0.03 0.19 0.13 0.00 0.46 0.00 0.00 57.72 58.54 1gwa n HIS 91 Cb 0.54 -2.58 0.72 0.00 -0.12 0.00 0.00 29.99 28.55 1gwa n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1gwa h PRO 92 N 6.98 0.00 -0.02 1.57 0.13 -1.93 -1.44 132.00 137.30 1gwa h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1gwa h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gwa h PRO 92 CO 0.91 0.00 -0.33 0.66 -0.23 0.00 0.00 178.00 179.00 1gwa n TYR 93 N -2.43 0.00 -1.89 1.56 4.02 -1.26 -4.95 117.16 112.21 1gwa n TYR 93 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1gwa n TYR 93 Cb 0.05 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.32 1gwa n TYR 93 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1gwa s TRP 94 N -2.40 2.86 -0.24 -0.72 -0.11 -0.55 -4.93 118.94 112.86 1gwa s TRP 94 Ca 0.22 0.94 -0.01 0.00 1.22 0.00 0.00 56.10 58.48 1gwa s TRP 94 Cb 0.19 -3.94 0.07 0.00 -1.50 0.00 0.00 33.47 28.28 1gwa s TRP 94 CO 0.51 -3.08 0.01 1.21 -4.62 0.00 0.00 176.95 170.98 1gwa s ASN 95 N 0.34 3.60 0.53 5.86 3.84 -1.26 -5.04 114.94 122.80 1gwa s ASN 95 Ca 0.60 -1.19 0.29 0.00 0.21 0.00 0.00 52.86 52.77 1gwa s ASN 95 Cb -0.45 -0.92 1.43 0.00 -0.55 0.00 0.00 41.25 40.75 1gwa s ASN 95 CO 0.47 -0.31 1.92 0.00 -2.79 0.00 0.00 177.10 176.40 1gwa h THR 96 N 6.57 0.61 -0.31 -5.21 1.03 -1.97 -0.67 112.91 112.97 1gwa h THR 96 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1gwa h THR 96 Cb 1.07 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 1gwa h THR 96 CO 0.40 0.01 0.00 0.47 -0.01 0.00 0.00 175.52 176.39 1gwa n ASP 97 N -4.32 2.96 -2.86 0.00 8.00 -1.26 -4.37 116.55 114.71 1gwa n ASP 97 Ca 0.16 -2.33 -0.12 0.00 0.71 0.00 0.00 54.79 53.21 1gwa n ASP 97 Cb 0.84 -0.50 0.04 0.00 -0.02 0.00 0.00 41.12 41.49 1gwa n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1gwa n ASP 98 N 0.38 -0.45 -2.11 -2.24 -0.08 -0.26 -5.06 116.55 106.73 1gwa n ASP 98 Ca 0.13 -3.05 0.00 0.00 -1.51 0.00 0.00 54.79 50.36 1gwa n ASP 98 Cb 0.61 0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.49 1gwa n ASP 98 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1gwa n VAL 99 N 0.07 0.00 0.00 5.18 0.31 -1.26 -3.87 118.33 118.77 1gwa n VAL 99 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1gwa n VAL 99 Cb 0.74 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1gwa n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gwa n ALA 99 N 1.82 0.00 0.00 3.52 0.00 -1.26 -4.83 120.51 119.76 1gwa n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gwa n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gwa n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwa n GLY 100 N 0.00 -0.47 2.55 0.00 0.00 -1.25 -4.99 105.19 101.03 1gwa n GLY 100 Ca 0.00 -1.63 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 1gwa n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gwa n TYR 101 N 0.00 -0.08 -2.51 1.61 4.01 -1.26 -4.63 117.16 114.30 1gwa n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1gwa n TYR 101 Cb 0.00 -3.34 -0.00 0.00 -0.31 0.00 0.00 39.34 35.69 1gwa n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1gwa n ASP 102 N -1.22 4.83 -3.61 7.72 2.03 -1.26 -4.48 116.55 120.57 1gwa n ASP 102 Ca -0.20 -2.91 -0.16 0.00 0.52 0.00 0.00 54.79 52.04 1gwa n ASP 102 Cb 0.65 -1.74 -0.07 0.00 -0.72 0.00 0.00 41.12 39.23 1gwa n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gwa s ILE 103 N 4.29 0.02 -0.02 5.18 2.07 -1.26 -3.74 121.20 127.74 1gwa s ILE 103 Ca 0.54 -0.17 -0.21 0.00 -1.41 0.00 0.00 60.65 59.40 1gwa s ILE 103 Cb 0.05 -0.85 0.04 0.00 0.13 0.00 0.00 42.46 41.82 1gwa s ILE 103 CO 0.07 -0.09 0.45 0.00 -1.91 0.00 0.00 174.94 173.46 1gwa s ALA 104 N -1.20 -1.15 -0.07 1.50 0.00 -0.41 -1.65 121.76 118.78 1gwa s ALA 104 Ca -0.12 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.54 1gwa s ALA 104 Cb -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1gwa s ALA 104 CO 0.08 -0.32 -0.15 -0.51 0.00 0.00 0.00 175.76 174.85 1gwa s LEU 105 N -1.37 2.65 -0.20 0.00 1.43 -0.01 -1.05 118.68 120.13 1gwa s LEU 105 Ca -0.12 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1gwa s LEU 105 Cb -0.03 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1gwa s LEU 105 CO 0.05 0.29 -0.10 -0.76 0.23 0.00 0.00 176.35 176.07 1gwa s LEU 106 N -0.42 2.66 -0.12 1.79 1.43 0.25 -0.53 118.68 123.74 1gwa s LEU 106 Ca 0.05 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 1gwa s LEU 106 Cb -0.12 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1gwa s LEU 106 CO 0.02 0.01 0.75 -0.60 0.23 0.00 0.00 176.35 176.76 1gwa s ARG 107 N 1.29 4.36 0.36 1.70 3.52 -0.21 -0.38 118.95 129.60 1gwa s ARG 107 Ca 0.03 0.91 -0.18 0.00 -0.13 0.00 0.00 55.73 56.37 1gwa s ARG 107 Cb -0.14 -3.51 -0.10 0.00 -1.56 0.00 0.00 34.95 29.64 1gwa s ARG 107 CO -0.05 -0.12 0.83 -0.51 -0.81 0.00 0.00 175.30 174.64 1gwa s LEU 108 N 1.45 4.03 0.50 -0.88 1.43 0.37 -0.41 118.68 125.17 1gwa s LEU 108 Ca 0.37 1.47 0.25 0.00 -1.03 0.00 0.00 54.13 55.19 1gwa s LEU 108 Cb -0.17 -4.24 1.34 0.00 0.03 0.00 0.00 46.19 43.14 1gwa s LEU 108 CO 0.15 -0.25 2.04 0.00 0.23 0.00 0.00 176.35 178.52 1gwa h ALA 109 N 2.19 1.34 -2.35 4.21 0.00 -1.60 -3.42 119.26 119.62 1gwa h ALA 109 Ca -0.48 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.11 1gwa h ALA 109 Cb 1.18 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 1gwa h ALA 109 CO 0.64 0.18 -0.69 -0.65 0.00 0.00 0.00 179.25 178.72 1gwa s GLN 110 N -4.25 0.71 -0.16 0.00 1.11 -1.26 -5.03 119.66 110.78 1gwa s GLN 110 Ca -0.03 -1.21 -0.28 0.00 0.01 0.00 0.00 55.36 53.85 1gwa s GLN 110 Cb 0.13 -0.06 -0.01 0.00 -1.01 0.00 0.00 33.01 32.07 1gwa s GLN 110 CO 0.61 -0.04 0.95 -1.12 0.01 0.00 0.00 175.29 175.70 1gwa s SER 111 N -2.80 7.10 0.60 5.90 0.01 -1.26 -4.67 113.70 118.58 1gwa s SER 111 Ca 0.07 1.36 -0.17 0.00 1.31 0.00 0.00 55.95 58.52 1gwa s SER 111 Cb 0.04 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1gwa s SER 111 CO -0.06 -0.48 1.10 0.68 0.41 0.00 0.00 173.24 174.89 1gwa s VAL 112 N 2.35 3.34 -0.02 3.43 -7.23 -0.77 -4.99 120.40 116.52 1gwa s VAL 112 Ca 0.44 0.71 -0.21 0.00 -1.81 0.00 0.00 61.98 61.11 1gwa s VAL 112 Cb -0.17 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 1gwa s VAL 112 CO 0.13 -0.30 0.60 -0.89 -0.31 0.00 0.00 175.10 174.32 1gwa s THR 113 N -2.13 4.94 0.15 5.32 2.01 -1.26 -4.88 115.64 119.79 1gwa s THR 113 Ca 0.68 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 63.76 1gwa s THR 113 Cb -0.21 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 1gwa s THR 113 CO 0.34 0.40 0.60 -0.76 -0.69 0.00 0.00 174.62 174.51 1gwa s LEU 114 N -0.06 4.37 0.00 4.42 1.43 -1.26 -4.79 118.68 122.78 1gwa s LEU 114 Ca 0.31 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1gwa s LEU 114 Cb -0.18 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1gwa s LEU 114 CO 0.17 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.40 1gwa n ASN 115 N 0.95 0.00 0.32 2.29 0.23 -0.70 -4.96 115.26 113.38 1gwa n ASN 115 Ca -0.05 -0.85 0.21 0.00 -0.53 0.00 0.00 54.58 53.36 1gwa n ASN 115 Cb 0.51 0.00 1.07 0.00 -2.08 0.00 0.00 39.78 39.29 1gwa n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1gwa h SER 116 N 0.00 0.00 0.22 0.53 4.64 -2.00 -2.62 113.55 114.32 1gwa h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gwa h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gwa h SER 116 CO 0.00 0.01 -1.14 -1.22 -0.87 0.00 0.00 176.83 173.61 1gwa n TYR 117 N -3.17 0.11 -3.78 4.77 4.01 -1.26 -4.79 117.16 113.05 1gwa n TYR 117 Ca -0.02 0.03 -0.29 0.00 -0.16 0.00 0.00 57.90 57.46 1gwa n TYR 117 Cb 0.13 -0.29 -0.16 0.00 -0.31 0.00 0.00 39.34 38.71 1gwa n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gwa s VAL 118 N -3.17 0.91 0.13 -0.72 1.01 -0.99 -3.77 120.40 113.81 1gwa s VAL 118 Ca 0.04 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1gwa s VAL 118 Cb 0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1gwa s VAL 118 CO 0.84 -0.39 -0.02 -1.10 0.00 0.00 0.00 175.10 174.42 1gwa s GLN 119 N 1.64 0.96 0.29 2.72 -1.52 -0.78 -1.73 119.66 121.25 1gwa s GLN 119 Ca 0.03 -1.43 -0.21 0.00 -1.95 0.00 0.00 55.36 51.79 1gwa s GLN 119 Cb -0.18 -0.18 -0.09 0.00 -0.22 0.00 0.00 33.01 32.34 1gwa s GLN 119 CO -0.15 -0.09 0.82 -0.51 -0.25 0.00 0.00 175.29 175.11 1gwa s LEU 120 N -3.10 4.27 0.22 2.90 1.43 -1.26 -3.43 118.68 119.71 1gwa s LEU 120 Ca 0.18 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.56 1gwa s LEU 120 Cb 0.06 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1gwa s LEU 120 CO -0.00 -0.06 0.95 -0.83 0.23 0.00 0.00 176.35 176.64 1gwa s GLY 121 N -1.76 3.09 -0.02 -3.19 0.00 0.16 -4.81 107.32 100.79 1gwa s GLY 121 Ca 0.48 0.63 -0.19 0.00 0.00 0.00 0.00 44.72 45.64 1gwa s GLY 121 CO 0.21 1.26 0.54 0.14 0.00 0.00 0.00 173.10 175.25 1gwa s VAL 122 N -0.95 4.98 0.09 1.40 1.01 -1.26 -4.76 120.40 120.91 1gwa s VAL 122 Ca 0.42 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.54 1gwa s VAL 122 Cb -0.26 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1gwa s VAL 122 CO 0.32 0.43 0.22 -0.76 0.00 0.00 0.00 175.10 175.31 1gwa s LEU 123 N -0.19 4.29 0.83 3.92 1.43 -1.26 -1.22 118.68 126.47 1gwa s LEU 123 Ca 0.29 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1gwa s LEU 123 Cb -0.17 -2.88 0.09 0.00 0.03 0.00 0.00 46.19 43.25 1gwa s LEU 123 CO 0.15 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 1gwa s PRO 124 N -2.74 1.79 0.49 1.29 0.05 -1.26 -4.91 135.00 129.71 1gwa s PRO 124 Ca 0.34 1.05 -0.22 0.00 0.05 0.00 0.00 61.00 62.22 1gwa s PRO 124 Cb -0.12 -1.85 -0.07 0.00 0.05 0.00 0.00 34.50 32.51 1gwa s PRO 124 CO 0.27 -1.94 1.19 1.03 0.05 0.00 0.00 177.00 177.61 1gwa s ARG 125 N -4.90 3.57 0.14 4.56 1.81 -1.26 -4.83 118.95 118.03 1gwa s ARG 125 Ca 0.62 1.82 -0.35 0.00 -1.72 0.00 0.00 55.73 56.10 1gwa s ARG 125 Cb -0.18 -2.30 -0.16 0.00 -0.45 0.00 0.00 34.95 31.86 1gwa s ARG 125 CO 0.57 -0.72 1.32 0.00 -0.68 0.00 0.00 175.30 175.78 1gwa n ALA 126 N -0.74 -0.45 -0.77 2.13 0.00 -1.26 -2.59 120.51 116.83 1gwa n ALA 126 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1gwa n ALA 126 Cb 0.48 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1gwa n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwa n GLY 127 N 2.44 1.40 3.73 0.00 0.00 -0.17 -5.01 105.19 107.58 1gwa n GLY 127 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1gwa n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gwa s THR 128 N -3.76 2.40 -0.08 2.61 2.01 -1.07 -4.98 115.64 112.78 1gwa s THR 128 Ca 0.00 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.35 1gwa s THR 128 Cb 0.00 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 1gwa s THR 128 CO 0.00 0.03 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.09 1gwa s ILE 129 N 0.84 2.00 0.34 1.82 -1.09 -1.26 -4.79 121.20 119.06 1gwa s ILE 129 Ca 0.69 -1.01 -0.27 0.00 -2.23 0.00 0.00 60.65 57.83 1gwa s ILE 129 Cb -0.46 -1.71 -0.09 0.00 -1.58 0.00 0.00 42.46 38.62 1gwa s ILE 129 CO 0.35 0.55 1.08 -0.76 -1.23 0.00 0.00 174.94 174.93 1gwa s LEU 130 N 0.13 4.34 0.78 2.97 1.43 -1.26 -5.03 118.68 122.04 1gwa s LEU 130 Ca -0.12 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1gwa s LEU 130 Cb -0.16 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 42.22 1gwa s LEU 130 CO 0.06 -0.34 1.10 0.00 0.23 0.00 0.00 176.35 177.41 1gwa s ALA 131 N -1.40 2.17 0.53 4.21 0.00 -1.26 -4.88 121.76 121.12 1gwa s ALA 131 Ca 0.51 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 1gwa s ALA 131 Cb -0.27 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 1gwa s ALA 131 CO 0.35 -1.86 1.31 -1.71 0.00 0.00 0.00 175.76 173.85 1gwa n ASN 132 N -3.52 2.51 -2.40 0.00 5.15 -1.26 -2.39 115.26 113.35 1gwa n ASN 132 Ca 0.10 0.99 -0.20 0.00 -0.60 0.00 0.00 54.58 54.87 1gwa n ASN 132 Cb 0.53 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 1gwa n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1gwa n ASN 133 N -0.74 -5.64 -4.80 1.20 5.15 -0.01 -4.94 115.26 105.48 1gwa n ASN 133 Ca 0.10 -0.10 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 1gwa n ASN 133 Cb 0.44 -4.61 -0.02 0.00 -0.53 0.00 0.00 39.78 35.06 1gwa n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1gwa s SER 134 N -2.33 6.09 -0.13 1.20 0.01 -1.00 -4.56 113.70 112.97 1gwa s SER 134 Ca 0.09 1.92 -0.27 0.00 1.31 0.00 0.00 55.95 59.00 1gwa s SER 134 Cb -0.04 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1gwa s SER 134 CO 0.12 -0.95 0.91 -2.16 0.41 0.00 0.00 173.24 171.56 1gwa s PRO 135 N -3.51 4.36 0.10 12.44 0.04 -1.26 -1.05 135.00 146.11 1gwa s PRO 135 Ca 0.67 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 1gwa s PRO 135 Cb -0.17 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1gwa s PRO 135 CO 0.26 -0.30 0.22 0.00 0.04 0.00 0.00 177.00 177.22 1gwa s TYR 137 N -3.86 1.51 -0.07 0.00 2.02 0.29 -0.18 117.35 117.06 1gwa s TYR 137 Ca 0.05 -0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1gwa s TYR 137 Cb 0.04 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 1gwa s TYR 137 CO -0.11 -0.09 0.22 -1.50 -1.57 0.00 0.00 175.55 172.51 1gwa s ILE 138 N -0.15 5.36 0.16 2.71 2.07 -0.24 -1.28 121.20 129.82 1gwa s ILE 138 Ca 0.01 0.37 0.08 0.00 -1.41 0.00 0.00 60.65 59.70 1gwa s ILE 138 Cb -0.09 -3.50 -0.04 0.00 0.13 0.00 0.00 42.46 38.96 1gwa s ILE 138 CO 0.01 0.58 -0.17 0.42 -1.91 0.00 0.00 174.94 173.87 1gwa s THR 139 N -1.08 1.69 0.00 4.00 -4.23 -1.20 -1.14 115.64 113.67 1gwa s THR 139 Ca 0.19 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1gwa s THR 139 Cb -0.13 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1gwa s THR 139 CO 0.08 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1gwa n GLY 140 N 0.27 0.84 1.31 3.99 0.00 -0.76 -4.55 105.19 106.28 1gwa n GLY 140 Ca -0.13 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 44.83 1gwa n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gwa n TRP 141 N -0.90 1.07 -0.71 1.61 8.01 -1.26 -1.30 117.44 123.96 1gwa n TRP 141 Ca 0.00 -0.55 -0.29 0.00 -1.31 0.00 0.00 57.50 55.35 1gwa n TRP 141 Cb 0.00 -0.10 0.25 0.00 -2.01 0.00 0.00 31.31 29.45 1gwa n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1gwa s GLY 142 N -1.01 1.51 0.21 6.99 0.00 -1.25 -1.15 107.32 112.62 1gwa s GLY 142 Ca 0.46 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.35 1gwa s GLY 142 CO 0.27 0.29 0.85 1.04 0.00 0.00 0.00 173.10 175.55 1gwa n LEU 143 N -4.98 0.43 -0.10 0.66 4.77 0.19 -2.11 117.00 115.86 1gwa n LEU 143 Ca 0.08 1.15 0.12 0.00 -0.03 0.00 0.00 56.01 57.33 1gwa n LEU 143 Cb 0.57 -1.12 0.20 0.00 -2.33 0.00 0.00 43.42 40.74 1gwa n LEU 143 CO 0.51 -2.04 0.40 0.35 -1.33 0.00 0.00 177.39 175.29 1gwa n THR 144 N 0.45 0.00 -3.82 -5.08 -2.24 -0.50 -0.72 114.28 102.38 1gwa n THR 144 Ca 0.15 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1gwa n THR 144 Cb 0.26 0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.91 1gwa n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gwa s ARG 145 N -2.83 0.70 0.16 -0.78 0.52 -1.26 -4.24 118.95 111.22 1gwa s ARG 145 Ca 0.14 -0.52 -0.33 0.00 -0.52 0.00 0.00 55.73 54.50 1gwa s ARG 145 Cb 0.18 0.29 -0.13 0.00 0.52 0.00 0.00 34.95 35.81 1gwa s ARG 145 CO 0.67 -0.20 1.63 2.41 0.02 0.00 0.00 175.30 179.83 1gwa n THR 147 N 0.81 0.02 -2.35 0.02 -1.04 -1.26 -0.97 114.28 109.51 1gwa n THR 147 Ca -0.19 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 1gwa n THR 147 Cb 0.58 -1.66 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 1gwa n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gwa n ASN 148 N 3.68 -5.67 0.00 8.00 5.03 -1.26 -4.95 115.26 120.09 1gwa n ASN 148 Ca 0.17 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.66 1gwa n ASN 148 Cb 0.30 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.32 1gwa n ASN 148 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gwa n GLY 149 N -0.95 1.96 3.35 7.41 0.00 -0.14 -5.14 105.19 111.68 1gwa n GLY 149 Ca -0.23 -1.82 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 1gwa n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gwa s GLN 150 N 4.48 1.33 0.67 1.61 -2.07 -1.26 -4.91 119.66 119.51 1gwa s GLN 150 Ca 0.00 -1.57 -0.17 0.00 -1.82 0.00 0.00 55.36 51.80 1gwa s GLN 150 Cb 0.00 -1.18 -0.01 0.00 -1.09 0.00 0.00 33.01 30.73 1gwa s GLN 150 CO 0.00 0.20 1.02 1.28 -1.32 0.00 0.00 175.29 176.48 1gwa n LEU 151 N -0.29 4.04 -4.81 2.60 4.77 -1.26 -1.41 117.00 120.65 1gwa n LEU 151 Ca -0.09 0.74 -0.34 0.00 -0.03 0.00 0.00 56.01 56.29 1gwa n LEU 151 Cb 0.60 -1.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.20 1gwa n LEU 151 CO 0.34 -1.80 0.67 0.00 -1.33 0.00 0.00 177.39 175.27 1gwa s ALA 152 N -1.64 3.04 -0.04 -1.18 0.00 -0.30 -4.79 121.76 116.85 1gwa s ALA 152 Ca 0.76 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 53.02 1gwa s ALA 152 Cb -0.37 -3.18 -0.32 0.00 0.00 0.00 0.00 23.12 19.24 1gwa s ALA 152 CO 0.47 0.03 0.85 1.96 0.00 0.00 0.00 175.76 179.07 1gwa h GLN 153 N 2.08 0.36 -5.93 0.00 4.20 -1.94 -3.45 115.11 110.42 1gwa h GLN 153 Ca -0.49 -0.61 -0.64 0.00 0.06 0.00 0.00 58.65 56.98 1gwa h GLN 153 Cb 1.19 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 29.14 1gwa h GLN 153 CO 0.61 1.29 -0.53 0.95 -0.67 0.00 0.00 178.83 180.49 1gwa s THR 154 N -2.49 5.16 0.19 -0.54 -4.23 -1.26 -0.04 115.64 112.43 1gwa s THR 154 Ca -0.14 -0.37 -0.33 0.00 -1.18 0.00 0.00 61.69 59.67 1gwa s THR 154 Cb 0.02 -3.45 -0.13 0.00 1.34 0.00 0.00 72.50 70.28 1gwa s THR 154 CO 0.85 0.24 1.63 -0.11 -0.54 0.00 0.00 174.62 176.69 1gwa n LEU 155 N 0.69 3.47 -4.78 4.79 7.94 -0.43 -4.81 117.00 123.88 1gwa n LEU 155 Ca -0.09 1.08 -0.24 0.00 -1.11 0.00 0.00 56.01 55.65 1gwa n LEU 155 Cb 0.52 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.93 1gwa n LEU 155 CO 0.46 -0.10 -0.22 -1.10 -1.11 0.00 0.00 177.39 175.31 1gwa s GLN 156 N 0.93 2.80 0.05 1.96 -1.52 -0.42 -0.96 119.66 122.49 1gwa s GLN 156 Ca 0.77 -1.01 0.03 0.00 -1.95 0.00 0.00 55.36 53.19 1gwa s GLN 156 Cb -0.61 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 1gwa s GLN 156 CO 0.36 0.44 -0.09 1.14 -0.25 0.00 0.00 175.29 176.89 1gwa s GLN 157 N -3.40 0.59 -0.09 2.91 -2.07 -0.34 -1.83 119.66 115.42 1gwa s GLN 157 Ca 0.31 -0.81 -0.07 0.00 -1.82 0.00 0.00 55.36 52.98 1gwa s GLN 157 Cb -0.09 -0.39 0.03 0.00 -1.09 0.00 0.00 33.01 31.47 1gwa s GLN 157 CO 0.23 0.07 0.23 0.00 -1.32 0.00 0.00 175.29 174.50 1gwa s ALA 158 N -1.41 -0.55 -0.25 2.60 0.00 -0.30 -1.46 121.76 120.40 1gwa s ALA 158 Ca -0.08 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 1gwa s ALA 158 Cb -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1gwa s ALA 158 CO 0.01 -0.13 1.06 -0.47 0.00 0.00 0.00 175.76 176.23 1gwa s TYR 159 N 0.45 3.26 -0.26 0.00 5.04 -1.26 -1.08 117.35 123.51 1gwa s TYR 159 Ca -0.03 1.38 -0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1gwa s TYR 159 Cb -0.04 -3.39 0.08 0.00 0.35 0.00 0.00 41.96 38.97 1gwa s TYR 159 CO -0.02 -0.62 0.07 -0.51 -1.34 0.00 0.00 175.55 173.13 1gwa s LEU 160 N 3.33 1.65 0.33 6.97 1.43 0.75 -4.95 118.68 128.19 1gwa s LEU 160 Ca 0.45 -1.28 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 1gwa s LEU 160 Cb -0.15 -0.71 -0.10 0.00 0.03 0.00 0.00 46.19 45.27 1gwa s LEU 160 CO 0.09 -0.37 1.20 -2.16 0.23 0.00 0.00 176.35 175.33 1gwa s PRO 161 N 1.76 4.38 0.75 1.29 0.04 -1.26 -3.71 135.00 138.25 1gwa s PRO 161 Ca 0.05 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1gwa s PRO 161 Cb -0.17 -3.02 0.05 0.00 0.04 0.00 0.00 34.50 31.40 1gwa s PRO 161 CO -0.20 -0.08 1.15 0.95 0.04 0.00 0.00 177.00 178.87 1gwa s THR 162 N -1.22 2.68 -0.23 1.26 -4.23 -0.22 -0.75 115.64 112.93 1gwa s THR 162 Ca 0.49 0.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1gwa s THR 162 Cb -0.35 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1gwa s THR 162 CO 0.45 -0.22 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.54 1gwa s VAL 163 N -2.33 1.75 1.09 2.29 1.01 0.28 -0.83 120.40 123.65 1gwa s VAL 163 Ca 0.69 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1gwa s VAL 163 Cb -0.24 -1.92 0.22 0.00 0.00 0.00 0.00 36.38 34.44 1gwa s VAL 163 CO 0.48 -0.01 0.92 -0.90 0.00 0.00 0.00 175.10 175.58 1gwa n ASP 164 N 4.60 -1.23 -0.15 3.32 5.68 -1.26 -3.97 116.55 123.54 1gwa n ASP 164 Ca -0.13 0.04 -0.07 0.00 -0.50 0.00 0.00 54.79 54.13 1gwa n ASP 164 Cb 0.44 -1.29 0.02 0.00 -1.14 0.00 0.00 41.12 39.15 1gwa n ASP 164 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1gwa h TYR 165 N -2.35 0.51 -0.37 2.11 3.20 -1.93 1.13 116.97 119.28 1gwa h TYR 165 Ca -0.55 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.40 1gwa h TYR 165 Cb 1.31 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 1gwa h TYR 165 CO 0.33 0.30 0.06 0.00 -1.64 0.00 0.00 178.16 177.21 1gwa h ALA 166 N 1.20 0.38 -0.15 1.82 0.00 -1.97 0.67 119.26 121.21 1gwa h ALA 166 Ca 0.18 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1gwa h ALA 166 Cb 0.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gwa h ALA 166 CO -0.08 -0.34 -0.42 0.82 0.00 0.00 0.00 179.25 179.23 1gwa h ILE 167 N 0.18 1.35 -0.72 0.00 2.04 -1.74 -3.32 117.51 115.29 1gwa h ILE 167 Ca 0.17 -1.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1gwa h ILE 167 Cb 0.21 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 1gwa h ILE 167 CO -0.24 0.52 0.20 0.00 0.00 0.00 0.00 178.15 178.62 1gwa n SER 169 N -4.24 7.62 0.00 0.00 3.41 0.17 -1.30 113.62 119.29 1gwa n SER 169 Ca 0.06 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.82 1gwa n SER 169 Cb 0.25 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 1gwa n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gwa n SER 170 N 3.28 0.00 0.00 4.04 3.41 -1.26 -3.50 113.62 119.59 1gwa n SER 170 Ca 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 1gwa n SER 170 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1gwa n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1gwa n TYR 171 N 0.00 0.00 0.97 7.33 4.02 -1.26 -4.84 117.16 123.38 1gwa n TYR 171 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1gwa n TYR 171 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.58 1gwa n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gwa n TRP 172 N 0.00 0.04 -4.94 -0.72 7.02 -0.42 -4.87 117.44 113.56 1gwa n TRP 172 Ca 0.00 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1gwa n TRP 172 Cb 0.00 -0.29 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 1gwa n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gwa n GLY 173 N 1.49 1.94 0.05 6.99 0.00 -1.23 -2.43 105.19 112.00 1gwa n GLY 173 Ca 0.05 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.66 1gwa n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gwa n SER 174 N -0.68 0.27 -0.14 1.61 3.41 -1.26 -2.94 113.62 113.88 1gwa n SER 174 Ca 0.00 0.56 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 1gwa n SER 174 Cb 0.00 -0.62 0.23 0.00 -0.26 0.00 0.00 64.21 63.56 1gwa n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1gwa h THR 175 N 0.00 1.20 -3.31 6.66 2.02 -1.84 -3.42 112.91 114.22 1gwa h THR 175 Ca 0.00 -0.61 -0.56 0.00 0.77 0.00 0.00 66.41 66.01 1gwa h THR 175 Cb 0.32 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1gwa h THR 175 CO 0.00 0.25 0.02 0.68 0.37 0.00 0.00 175.52 176.84 1gwa s VAL 176 N -5.44 4.69 0.39 3.16 -7.23 -1.15 -4.75 120.40 110.08 1gwa s VAL 176 Ca -0.10 1.33 0.08 0.00 -1.81 0.00 0.00 61.98 61.48 1gwa s VAL 176 Cb 0.16 -3.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 1gwa s VAL 176 CO 0.79 0.52 0.18 -0.54 -0.31 0.00 0.00 175.10 175.73 1gwa s LYS 177 N -0.92 2.29 0.00 4.82 -0.14 -1.26 -4.84 119.74 119.69 1gwa s LYS 177 Ca 0.31 -1.72 0.26 0.00 -1.36 0.00 0.00 55.97 53.46 1gwa s LYS 177 Cb -0.20 -2.08 1.33 0.00 -1.68 0.00 0.00 37.83 35.20 1gwa s LYS 177 CO 0.20 -0.04 1.86 -1.71 -0.76 0.00 0.00 175.35 174.91 1gwa n ASN 178 N -1.23 0.00 -0.27 2.83 5.15 -1.26 -1.81 115.26 118.68 1gwa n ASN 178 Ca -0.01 -0.20 0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1gwa n ASN 178 Cb 0.63 -0.24 0.51 0.00 -0.53 0.00 0.00 39.78 40.15 1gwa n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1gwa n SER 179 N -1.24 0.80 -4.49 1.20 3.41 -1.26 -4.87 113.62 107.18 1gwa n SER 179 Ca 0.13 -1.51 -0.24 0.00 -0.26 0.00 0.00 58.87 56.99 1gwa n SER 179 Cb 0.18 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 1gwa n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1gwa s MET 180 N -1.91 1.69 -0.05 4.33 -1.94 -0.75 -1.19 119.30 119.48 1gwa s MET 180 Ca 0.32 -1.88 0.06 0.00 -1.71 0.00 0.00 55.69 52.48 1gwa s MET 180 Cb 0.16 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.60 1gwa s MET 180 CO 0.26 0.06 -0.22 0.08 -0.01 0.00 0.00 175.02 175.18 1gwa s VAL 181 N -2.85 1.84 0.01 -6.03 1.01 0.21 -4.68 120.40 109.91 1gwa s VAL 181 Ca 0.32 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1gwa s VAL 181 Cb 0.04 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1gwa s VAL 181 CO 0.14 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.78 1gwa s ALA 183 N -1.13 -0.72 0.00 0.00 0.00 -0.31 -0.56 121.76 119.05 1gwa s ALA 183 Ca 0.21 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1gwa s ALA 183 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1gwa s ALA 183 CO 0.12 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1gwa n GLY 184 N 2.48 1.22 2.17 0.00 0.00 0.07 -1.64 105.19 109.48 1gwa n GLY 184 Ca -0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 1gwa n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwa n GLY 185 N 0.00 0.79 0.00 -0.02 0.00 -1.26 -4.67 105.19 100.02 1gwa n GLY 185 Ca 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.37 1gwa n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gwa n ASP 186 N 1.04 0.00 0.00 1.61 3.85 -1.26 -1.67 116.55 120.11 1gwa n ASP 186 Ca -0.06 -0.18 0.00 0.00 -0.71 0.00 0.00 54.79 53.84 1gwa n ASP 186 Cb 0.22 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 1gwa n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gwa n GLY 187 N 0.88 0.94 0.53 6.12 0.00 -1.26 -4.76 105.19 107.65 1gwa n GLY 187 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1gwa n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gwa n VAL 188 N -2.11 0.26 -4.96 1.61 0.31 -1.26 -4.54 118.33 107.65 1gwa n VAL 188 Ca 0.00 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 63.93 1gwa n VAL 188 Cb 0.00 -1.22 -0.14 0.00 -0.91 0.00 0.00 33.84 31.58 1gwa n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1gwa s ARG 188 N -2.09 2.55 0.11 5.55 0.52 -1.26 -3.67 118.95 120.67 1gwa s ARG 188 Ca -0.06 -0.74 -0.26 0.00 -0.52 0.00 0.00 55.73 54.15 1gwa s ARG 188 Cb 0.02 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 33.22 1gwa s ARG 188 CO 0.09 0.56 1.05 -1.54 0.02 0.00 0.00 175.30 175.48 1gwa s SER 189 N -0.56 -0.13 0.85 0.23 1.04 -0.72 -4.39 113.70 110.02 1gwa s SER 189 Ca 0.08 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.04 1gwa s SER 189 Cb -0.11 0.40 0.10 0.00 0.10 0.00 0.00 66.02 66.51 1gwa s SER 189 CO 0.01 -0.75 1.11 -0.83 0.98 0.00 0.00 173.24 173.76 1gwa s GLY 190 N -2.98 1.61 0.14 7.32 0.00 -1.26 -0.95 107.32 111.20 1gwa s GLY 190 Ca 0.13 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.40 1gwa s GLY 190 CO 0.01 0.21 0.47 0.00 0.00 0.00 0.00 173.10 173.79 1gwa n GLN 192 N -0.28 0.00 0.00 0.00 3.00 -1.26 -1.48 117.38 117.36 1gwa n GLN 192 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1gwa n GLN 192 Cb 0.64 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.43 1gwa n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwa n GLY 193 N 2.44 1.48 0.10 1.08 0.00 -1.26 -0.64 105.19 108.40 1gwa n GLY 193 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1gwa n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gwa h ASP 194 N 0.00 0.00 -1.95 1.61 3.32 -1.53 -3.29 116.42 114.59 1gwa h ASP 194 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1gwa h ASP 194 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1gwa h ASP 194 CO 0.00 0.57 -0.50 -1.20 -1.72 0.00 0.00 179.24 176.39 1gwa n SER 195 N -2.92 -1.19 0.00 6.45 7.64 -1.26 -1.20 113.62 121.14 1gwa n SER 195 Ca -0.08 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1gwa n SER 195 Cb 0.83 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1gwa n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gwa n GLY 196 N 1.90 3.02 3.92 0.23 0.00 0.58 -1.04 105.19 113.79 1gwa n GLY 196 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1gwa n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gwa s GLY 197 N -1.52 1.79 0.50 -0.02 0.00 -0.34 -3.29 107.32 104.43 1gwa s GLY 197 Ca 0.00 -1.23 -0.19 0.00 0.00 0.00 0.00 44.72 43.31 1gwa s GLY 197 CO 0.00 -0.44 1.00 2.56 0.00 0.00 0.00 173.10 176.22 1gwa s PRO 198 N -5.89 3.89 -0.28 2.90 0.04 -1.26 -0.53 135.00 133.86 1gwa s PRO 198 Ca 0.75 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 1gwa s PRO 198 Cb -0.04 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1gwa s PRO 198 CO 0.53 -0.33 -0.05 -1.17 0.04 0.00 0.00 177.00 176.03 1gwa s LEU 199 N -3.75 3.67 -0.21 -3.56 2.96 -0.43 -3.28 118.68 114.08 1gwa s LEU 199 Ca 0.62 -1.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.09 1gwa s LEU 199 Cb -0.12 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1gwa s LEU 199 CO 0.24 -0.22 0.41 -1.00 -1.32 0.00 0.00 176.35 174.46 1gwa s HIS 200 N 1.20 3.36 -0.04 5.38 3.76 -0.41 -0.80 115.29 127.74 1gwa s HIS 200 Ca -0.06 0.60 0.05 0.00 -0.15 0.00 0.00 55.06 55.50 1gwa s HIS 200 Cb -0.20 -2.55 -0.01 0.00 1.11 0.00 0.00 32.58 30.94 1gwa s HIS 200 CO -0.03 -0.05 -0.20 0.00 -0.85 0.00 0.00 174.74 173.62 1gwa s LEU 202 N -0.13 4.13 -0.05 0.00 2.96 -0.60 -1.94 118.68 123.06 1gwa s LEU 202 Ca -0.01 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1gwa s LEU 202 Cb -0.11 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.07 1gwa s LEU 202 CO 0.02 -0.68 0.04 -0.69 -1.32 0.00 0.00 176.35 173.72 1gwa s VAL 203 N 3.18 0.04 -1.47 1.68 1.01 -0.33 -4.75 120.40 119.77 1gwa s VAL 203 Ca 0.46 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 1gwa s VAL 203 Cb -0.17 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.01 1gwa s VAL 203 CO 0.09 0.19 0.88 0.59 0.00 0.00 0.00 175.10 176.84 1gwa n ASN 204 N 5.07 -5.29 0.00 3.32 3.02 -1.26 -2.32 115.26 117.80 1gwa n ASN 204 Ca -0.08 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1gwa n ASN 204 Cb 0.50 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 1gwa n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwa n GLY 205 N -1.65 1.43 3.23 7.41 0.00 -1.26 -5.01 105.19 109.34 1gwa n GLY 205 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1gwa n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gwa s GLN 206 N -0.17 1.51 0.19 1.61 0.74 -0.98 -5.11 119.66 117.45 1gwa s GLN 206 Ca 0.00 -0.84 -0.26 0.00 0.05 0.00 0.00 55.36 54.31 1gwa s GLN 206 Cb 0.00 -1.55 -0.08 0.00 1.10 0.00 0.00 33.01 32.48 1gwa s GLN 206 CO 0.00 0.41 0.81 0.71 -0.55 0.00 0.00 175.29 176.67 1gwa s TYR 207 N -0.65 3.91 0.06 1.67 2.02 -1.26 -1.18 117.35 121.92 1gwa s TYR 207 Ca 0.08 1.69 0.03 0.00 -0.37 0.00 0.00 57.07 58.50 1gwa s TYR 207 Cb -0.08 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 1gwa s TYR 207 CO 0.01 0.49 -0.09 0.00 -1.57 0.00 0.00 175.55 174.38 1gwa s ALA 208 N -1.19 0.84 -0.66 3.71 0.00 -0.82 -4.66 121.76 118.98 1gwa s ALA 208 Ca 0.38 -0.95 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 1gwa s ALA 208 Cb -0.23 0.02 0.06 0.00 0.00 0.00 0.00 23.12 22.97 1gwa s ALA 208 CO 0.27 -0.00 1.03 0.08 0.00 0.00 0.00 175.76 177.14 1gwa s VAL 209 N -1.77 4.21 -0.21 0.00 1.01 -0.36 -0.33 120.40 122.94 1gwa s VAL 209 Ca -0.03 -0.12 0.20 0.00 0.00 0.00 0.00 61.98 62.03 1gwa s VAL 209 Cb -0.07 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.59 1gwa s VAL 209 CO 0.00 -1.50 1.08 0.45 0.00 0.00 0.00 175.10 175.13 1gwa h HIS 210 N 9.63 0.00 -3.94 5.22 3.86 -1.29 -3.37 115.15 125.26 1gwa h HIS 210 Ca -0.28 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.66 1gwa h HIS 210 Cb 1.07 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.34 1gwa h HIS 210 CO 0.99 0.23 -0.73 0.20 0.86 0.00 0.00 177.93 179.49 1gwa s GLY 211 N -4.49 0.55 -0.24 2.45 0.00 -1.11 -1.72 107.32 102.76 1gwa s GLY 211 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1gwa s GLY 211 CO 0.78 -0.93 -0.06 0.14 0.00 0.00 0.00 173.10 173.04 1gwa s VAL 212 N -1.76 3.03 0.11 1.40 1.01 -0.70 -1.32 120.40 122.18 1gwa s VAL 212 Ca -0.06 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 60.76 1gwa s VAL 212 Cb -0.07 -2.47 -0.11 0.00 0.00 0.00 0.00 36.38 33.72 1gwa s VAL 212 CO -0.00 0.29 1.80 0.41 0.00 0.00 0.00 175.10 177.59 1gwa n THR 213 N 4.72 0.31 0.03 3.92 -1.04 0.31 -0.31 114.28 122.22 1gwa n THR 213 Ca -0.17 -0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1gwa n THR 213 Cb 0.48 -2.01 -0.00 0.00 -1.82 0.00 0.00 70.33 66.98 1gwa n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gwa n SER 214 N 5.32 1.24 -3.91 8.00 2.88 0.16 -0.31 113.62 127.00 1gwa n SER 214 Ca 0.18 0.17 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 1gwa n SER 214 Cb 0.35 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 1gwa n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1gwa s PHE 215 N -2.14 0.14 0.28 0.66 -0.71 -0.75 -4.91 117.98 110.55 1gwa s PHE 215 Ca -0.04 -0.55 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 1gwa s PHE 215 Cb 0.01 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1gwa s PHE 215 CO 0.07 -1.11 0.14 0.14 -1.34 0.00 0.00 175.22 173.12 1gwa s VAL 216 N -3.93 0.38 0.48 -2.49 -7.23 -1.26 -1.24 120.40 105.10 1gwa s VAL 216 Ca 0.18 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 1gwa s VAL 216 Cb -0.03 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 1gwa s VAL 216 CO 0.08 0.00 1.33 -0.55 -0.31 0.00 0.00 175.10 175.65 1gwa s SER 217 N -3.34 5.78 0.39 4.85 0.15 -1.22 -4.89 113.70 115.43 1gwa s SER 217 Ca 0.36 2.69 0.28 0.00 0.70 0.00 0.00 55.95 59.99 1gwa s SER 217 Cb 0.06 -2.63 1.26 0.00 -1.71 0.00 0.00 66.02 62.99 1gwa s SER 217 CO 0.16 -1.22 1.85 0.03 1.20 0.00 0.00 173.24 175.26 1gwa h ARG 217 N 2.01 0.00 0.00 5.44 3.08 -2.01 -1.63 114.38 121.28 1gwa h ARG 217 Ca -0.50 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.47 1gwa h ARG 217 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 1gwa h ARG 217 CO 0.60 0.00 -0.38 1.25 -1.07 0.00 0.00 179.97 180.36 1gwa h LEU 218 N 0.00 0.00 0.00 3.04 6.46 -2.03 -3.48 115.31 119.29 1gwa h LEU 218 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1gwa h LEU 218 Cb 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1gwa h LEU 218 CO 0.00 0.38 0.00 0.61 -0.62 0.00 0.00 178.44 178.81 1gwa n GLY 219 N 0.39 1.63 0.15 3.75 0.00 -0.61 -5.05 105.19 105.45 1gwa n GLY 219 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 46.02 44.58 1gwa n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwa s ASN 221 N -4.62 6.51 -0.08 0.00 4.22 -1.26 -4.67 114.94 115.04 1gwa s ASN 221 Ca -0.05 -2.01 0.02 0.00 -2.14 0.00 0.00 52.86 48.69 1gwa s ASN 221 Cb 0.00 -2.31 0.01 0.00 1.28 0.00 0.00 41.25 40.23 1gwa s ASN 221 CO 0.14 -0.95 -0.14 -0.69 -2.04 0.00 0.00 177.10 173.42 1gwa s VAL 221 N 1.99 1.29 0.22 3.54 1.01 -1.26 -4.66 120.40 122.53 1gwa s VAL 221 Ca 0.21 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 1gwa s VAL 221 Cb -0.13 -1.17 -0.13 0.00 0.00 0.00 0.00 36.38 34.96 1gwa s VAL 221 CO -0.04 0.39 1.57 0.41 0.00 0.00 0.00 175.10 177.44 1gwa n THR 222 N 3.86 0.49 -1.14 3.92 -1.04 -1.26 -1.77 114.28 117.34 1gwa n THR 222 Ca -0.22 -0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.62 1gwa n THR 222 Cb 0.52 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.28 1gwa n THR 222 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1gwa n ARG 223 N 2.88 -1.08 -3.43 -2.82 1.74 -0.67 -4.91 116.66 108.37 1gwa n ARG 223 Ca 0.13 0.54 -0.27 0.00 -0.77 0.00 0.00 57.85 57.49 1gwa n ARG 223 Cb 0.33 -4.50 -0.08 0.00 -1.02 0.00 0.00 32.46 27.19 1gwa n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1gwa n LYS 224 N -1.36 2.13 -1.19 5.56 4.76 -0.73 -4.21 118.16 123.13 1gwa n LYS 224 Ca -0.05 -4.40 -0.32 0.00 -2.87 0.00 0.00 58.31 50.67 1gwa n LYS 224 Cb 0.34 -2.08 0.11 0.00 -1.84 0.00 0.00 35.03 31.56 1gwa n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1gwa s PRO 225 N -2.13 1.86 0.37 1.97 0.04 -1.26 -4.46 135.00 131.39 1gwa s PRO 225 Ca 0.38 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 1gwa s PRO 225 Cb 0.13 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 1gwa s PRO 225 CO -0.05 -2.00 1.45 0.99 0.04 0.00 0.00 177.00 177.43 1gwa s THR 226 N -2.41 2.20 -0.11 1.26 2.01 -0.65 -4.77 115.64 113.16 1gwa s THR 226 Ca 0.69 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 1gwa s THR 226 Cb -0.24 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1gwa s THR 226 CO 0.51 0.05 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1gwa s VAL 227 N -1.10 3.76 0.09 3.82 1.01 -0.37 -1.16 120.40 126.45 1gwa s VAL 227 Ca 0.52 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1gwa s VAL 227 Cb -0.45 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1gwa s VAL 227 CO 0.61 0.54 -0.17 -0.36 0.00 0.00 0.00 175.10 175.73 1gwa s PHE 228 N -0.17 1.46 0.12 5.22 0.08 0.42 -0.66 117.98 124.45 1gwa s PHE 228 Ca 0.03 -0.46 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 1gwa s PHE 228 Cb -0.13 -0.80 -0.08 0.00 -0.57 0.00 0.00 43.02 41.44 1gwa s PHE 228 CO 0.03 0.13 1.34 0.99 -0.10 0.00 0.00 175.22 177.61 1gwa s THR 229 N -1.39 3.40 -0.59 0.64 2.01 0.58 -0.62 115.64 119.66 1gwa s THR 229 Ca 0.03 1.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 1gwa s THR 229 Cb -0.09 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1gwa s THR 229 CO 0.03 0.10 1.24 -0.60 -0.69 0.00 0.00 174.62 174.70 1gwa s ARG 230 N 0.84 3.45 0.32 4.92 3.52 -0.33 -1.71 118.95 129.96 1gwa s ARG 230 Ca 0.62 0.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.51 1gwa s ARG 230 Cb -0.36 -4.05 0.67 0.00 -1.56 0.00 0.00 34.95 29.66 1gwa s ARG 230 CO 0.32 -1.76 1.87 0.28 -0.81 0.00 0.00 175.30 175.19 1gwa h VAL 231 N 6.18 0.92 0.00 7.11 2.07 -1.63 -1.42 116.25 129.48 1gwa h VAL 231 Ca -0.26 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1gwa h VAL 231 Cb 1.06 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1gwa h VAL 231 CO 1.19 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 177.40 1gwa n SER 232 N -4.56 0.00 -0.32 0.57 3.41 -1.26 -1.14 113.62 110.31 1gwa n SER 232 Ca 0.17 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1gwa n SER 232 Cb 0.36 -0.41 0.26 0.00 -0.26 0.00 0.00 64.21 64.17 1gwa n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gwa n ALA 233 N -1.41 3.23 -0.43 7.33 0.00 -0.53 -0.99 120.51 127.70 1gwa n ALA 233 Ca 0.03 -0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.03 1gwa n ALA 233 Cb 0.09 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1gwa n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gwa n TYR 234 N -0.46 0.00 -0.16 0.00 4.02 -0.29 -4.80 117.16 115.47 1gwa n TYR 234 Ca 0.11 -0.65 -0.05 0.00 -0.01 0.00 0.00 57.90 57.30 1gwa n TYR 234 Cb 0.38 -0.08 0.04 0.00 -0.02 0.00 0.00 39.34 39.66 1gwa n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1gwa h ILE 235 N 0.20 1.00 -0.43 -0.72 1.08 -1.72 -0.77 117.51 116.15 1gwa h ILE 235 Ca 0.00 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1gwa h ILE 235 Cb 0.70 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1gwa h ILE 235 CO 0.00 0.10 0.23 0.28 -0.69 0.00 0.00 178.15 178.06 1gwa h SER 236 N 0.54 0.55 -0.12 1.72 0.02 -1.92 -1.85 113.55 112.49 1gwa h SER 236 Ca 0.21 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1gwa h SER 236 Cb 0.08 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1gwa h SER 236 CO -0.12 0.50 -0.18 -0.25 -1.14 0.00 0.00 176.83 175.64 1gwa h TRP 237 N 0.56 -0.45 0.33 3.45 7.01 -1.83 0.50 115.95 125.51 1gwa h TRP 237 Ca 0.15 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1gwa h TRP 237 Cb 0.08 0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1gwa h TRP 237 CO -0.02 -0.25 -0.47 0.82 -2.79 0.00 0.00 178.44 175.74 1gwa h ILE 238 N -0.23 0.09 -0.99 2.65 2.04 -1.04 0.37 117.51 120.39 1gwa h ILE 238 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.03 1gwa h ILE 238 Cb 0.36 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1gwa h ILE 238 CO -0.25 0.00 0.64 0.78 0.00 0.00 0.00 178.15 179.31 1gwa h ASN 239 N -0.84 0.98 0.34 1.72 -0.26 -1.11 -1.01 115.58 115.41 1gwa h ASN 239 Ca -0.03 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1gwa h ASN 239 Cb 0.78 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1gwa h ASN 239 CO -0.14 0.60 -0.19 0.78 -1.06 0.00 0.00 177.43 177.42 1gwa h ASN 240 N 1.10 -0.46 -0.11 5.81 -0.26 0.49 0.24 115.58 122.40 1gwa h ASN 240 Ca 0.44 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 56.24 1gwa h ASN 240 Cb 0.27 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.63 1gwa h ASN 240 CO -0.19 -0.31 -0.08 0.58 -1.06 0.00 0.00 177.43 176.37 1gwa h VAL 241 N -0.50 0.76 -0.50 2.81 2.07 0.31 -2.27 116.25 118.94 1gwa h VAL 241 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1gwa h VAL 241 Cb 0.40 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1gwa h VAL 241 CO 0.06 0.00 0.17 0.40 0.02 0.00 0.00 177.57 178.22 1gwa h ILE 242 N -0.09 1.19 -0.51 4.57 2.04 -1.08 -2.81 117.51 120.83 1gwa h ILE 242 Ca 0.07 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1gwa h ILE 242 Cb 0.19 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1gwa h ILE 242 CO -0.16 0.24 -0.03 0.00 0.00 0.00 0.00 178.15 178.20 1gwa h ALA 243 N 1.48 1.00 -0.24 1.87 0.00 -0.69 -3.03 119.26 119.65 1gwa h ALA 243 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1gwa h ALA 243 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gwa h ALA 243 CO -0.01 0.61 0.00 -1.13 0.00 0.00 0.00 179.25 178.72 1gwa n SER 244 N -4.19 1.55 0.00 0.00 3.41 -0.88 -5.10 113.62 108.41 1gwa n SER 244 Ca 0.02 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1gwa n SER 244 Cb 0.33 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1gwa n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47