#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gql n ASP 6 N 0.00 2.66 0.00 1.62 5.68 -1.26 -4.35 116.55 120.90 1gql n ASP 6 Ca 0.00 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1gql n ASP 6 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1gql n ASP 6 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gql n GLY 7 N 0.31 1.16 0.30 6.12 0.00 -1.26 -3.71 105.19 108.10 1gql n GLY 7 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1gql n GLY 7 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gql h TYR 8 N 0.00 0.54 0.00 1.61 3.20 -1.88 -1.51 116.97 118.93 1gql h TYR 8 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1gql h TYR 8 Cb 0.00 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1gql h TYR 8 CO 0.00 0.42 0.00 -0.25 -1.64 0.00 0.00 178.16 176.69 1gql n ASP 9 N -4.39 0.25 0.00 -2.11 8.00 -1.26 -4.96 116.55 112.08 1gql n ASP 9 Ca 0.03 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1gql n ASP 9 Cb 0.13 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1gql n ASP 9 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1gql n MET 10 N -1.75 0.00 -0.14 -1.24 2.81 -0.57 -1.54 117.12 114.68 1gql n MET 10 Ca 0.05 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1gql n MET 10 Cb 0.30 0.00 0.24 0.00 -0.71 0.00 0.00 33.22 33.05 1gql n MET 10 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1gql n TRP 11 N 14.00 0.38 -2.77 2.03 2.14 -1.26 -4.42 117.44 127.55 1gql n TRP 11 Ca 0.00 -0.19 -0.41 0.00 2.07 0.00 0.00 57.50 58.97 1gql n TRP 11 Cb 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.51 1gql n TRP 11 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1gql n LEU 12 N 1.21 6.95 -4.38 5.67 4.77 -0.59 -4.65 117.00 125.98 1gql n LEU 12 Ca 0.18 -5.35 -0.45 0.00 -0.03 0.00 0.00 56.01 50.36 1gql n LEU 12 Cb 0.54 -1.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.40 1gql n LEU 12 CO 0.15 1.96 0.10 -0.13 -1.33 0.00 0.00 177.39 178.14 1gql s ARG 13 N -3.84 3.00 -1.13 3.23 0.52 -1.26 -4.87 118.95 114.59 1gql s ARG 13 Ca 0.37 -1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.16 1gql s ARG 13 Cb 0.15 -4.17 0.27 0.00 0.52 0.00 0.00 34.95 31.72 1gql s ARG 13 CO -0.06 -1.13 1.62 0.66 0.02 0.00 0.00 175.30 176.41 1gql n TYR 14 N 5.37 2.42 -3.96 -0.53 4.01 -1.26 -4.97 117.16 118.24 1gql n TYR 14 Ca -0.12 -2.62 -0.31 0.00 -0.16 0.00 0.00 57.90 54.69 1gql n TYR 14 Cb 0.43 -1.43 -0.05 0.00 -0.31 0.00 0.00 39.34 37.98 1gql n TYR 14 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1gql s GLN 15 N -2.05 3.29 0.20 -0.72 -0.21 -1.26 -3.80 119.66 115.10 1gql s GLN 15 Ca 0.34 -0.49 -0.33 0.00 0.02 0.00 0.00 55.36 54.90 1gql s GLN 15 Cb 0.07 -2.96 -0.14 0.00 1.00 0.00 0.00 33.01 30.98 1gql s GLN 15 CO 0.07 0.61 1.48 -2.30 -2.12 0.00 0.00 175.29 173.03 1gql n PRO 16 N 0.42 2.04 -1.68 2.91 -0.02 -0.84 -4.14 135.00 133.69 1gql n PRO 16 Ca -0.07 0.73 -0.46 0.00 -2.02 0.00 0.00 63.50 61.68 1gql n PRO 16 Cb 0.51 -2.44 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1gql n PRO 16 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1gql n ILE 17 N 2.62 0.21 0.08 4.25 2.08 -0.67 -4.87 119.36 123.05 1gql n ILE 17 Ca 0.14 -0.04 -0.10 0.00 0.56 0.00 0.00 62.75 63.32 1gql n ILE 17 Cb 0.30 -1.70 -0.05 0.00 -0.75 0.00 0.00 39.64 37.44 1gql n ILE 17 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gql h ALA 18 N 7.17 0.41 -1.67 -1.39 0.00 -1.92 -3.41 119.26 118.44 1gql h ALA 18 Ca -0.46 -0.79 -0.55 0.00 0.00 0.00 0.00 54.91 53.11 1gql h ALA 18 Cb 1.26 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1gql h ALA 18 CO 0.91 0.99 1.19 0.34 0.00 0.00 0.00 179.25 182.68 1gql s ASP 19 N -6.93 5.93 0.37 0.00 -1.08 -1.26 -4.88 116.67 108.82 1gql s ASP 19 Ca -0.02 0.64 0.05 0.00 -0.52 0.00 0.00 52.55 52.70 1gql s ASP 19 Cb 0.09 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.73 1gql s ASP 19 CO 0.84 -1.79 1.96 1.56 0.52 0.00 0.00 175.17 178.26 1gql h GLN 20 N 12.22 0.56 -0.16 4.34 1.08 -2.00 0.75 115.11 131.91 1gql h GLN 20 Ca -0.28 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 56.75 1gql h GLN 20 Cb 1.13 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1gql h GLN 20 CO 1.13 0.47 -0.28 1.15 -0.95 0.00 0.00 178.83 180.35 1gql h THR 21 N 0.55 1.36 -0.66 -0.54 2.02 -1.96 -2.40 112.91 111.27 1gql h THR 21 Ca 0.14 -1.53 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 1gql h THR 21 Cb 0.13 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1gql h THR 21 CO -0.01 0.46 0.21 0.25 0.37 0.00 0.00 175.52 176.80 1gql h LEU 22 N 0.10 0.96 -0.59 2.58 5.85 -1.91 -2.68 115.31 119.62 1gql h LEU 22 Ca 0.01 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1gql h LEU 22 Cb 0.87 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1gql h LEU 22 CO 0.06 0.91 0.24 0.25 -0.34 0.00 0.00 178.44 179.57 1gql h LEU 23 N 0.96 0.28 -1.01 2.25 5.85 -0.81 -1.51 115.31 121.32 1gql h LEU 23 Ca 0.21 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1gql h LEU 23 Cb 0.29 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1gql h LEU 23 CO -0.01 0.17 0.61 0.11 -0.34 0.00 0.00 178.44 178.99 1gql h LYS 24 N 0.45 1.28 -0.43 1.25 1.79 -1.21 -0.25 116.57 119.45 1gql h LYS 24 Ca 0.29 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1gql h LYS 24 Cb 0.31 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1gql h LYS 24 CO -0.27 0.87 0.22 1.15 -1.08 0.00 0.00 179.45 180.34 1gql h THR 25 N 1.31 1.17 -0.73 -0.16 2.02 -1.04 -1.17 112.91 114.32 1gql h THR 25 Ca 0.35 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1gql h THR 25 Cb -0.11 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1gql h THR 25 CO -0.07 0.18 0.24 1.88 0.37 0.00 0.00 175.52 178.12 1gql h TYR 26 N 0.56 1.17 -0.58 3.16 0.05 -0.77 -2.03 116.97 118.53 1gql h TYR 26 Ca 0.15 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1gql h TYR 26 Cb 0.09 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 1gql h TYR 26 CO -0.02 0.92 0.29 1.96 -1.05 0.00 0.00 178.16 180.26 1gql h GLN 27 N 1.08 0.82 -0.36 4.88 4.20 -0.74 -0.17 115.11 124.81 1gql h GLN 27 Ca 0.24 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1gql h GLN 27 Cb 0.29 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1gql h GLN 27 CO -0.01 0.63 -0.32 0.87 -0.67 0.00 0.00 178.83 179.33 1gql h LYS 28 N 0.82 0.84 -0.18 1.46 1.57 -1.00 -3.33 116.57 116.75 1gql h LYS 28 Ca 0.20 -0.43 -0.21 0.00 -1.87 0.00 0.00 60.65 58.35 1gql h LYS 28 Cb 0.08 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1gql h LYS 28 CO -0.03 1.07 -0.70 1.96 -0.57 0.00 0.00 179.45 181.18 1gql h GLN 29 N 0.63 0.76 -3.61 3.15 4.20 -1.03 -3.41 115.11 115.81 1gql h GLN 29 Ca 0.06 -0.58 -0.64 0.00 0.06 0.00 0.00 58.65 57.55 1gql h GLN 29 Cb 0.90 0.11 -0.41 0.00 0.30 0.00 0.00 27.48 28.38 1gql h GLN 29 CO 0.08 1.19 -0.66 0.42 -0.67 0.00 0.00 178.83 179.20 1gql s ILE 30 N -3.85 2.41 -0.04 2.54 -1.09 -0.11 -4.20 121.20 116.87 1gql s ILE 30 Ca -0.10 -3.05 0.20 0.00 -2.23 0.00 0.00 60.65 55.47 1gql s ILE 30 Cb 0.09 -2.70 -0.31 0.00 -1.58 0.00 0.00 42.46 37.97 1gql s ILE 30 CO 0.89 -0.77 0.41 0.54 -1.23 0.00 0.00 174.94 174.79 1gql n ARG 31 N 3.38 0.63 -3.97 2.79 1.74 0.60 -4.71 116.66 117.12 1gql n ARG 31 Ca 0.05 -0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 1gql n ARG 31 Cb 0.34 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1gql n ARG 31 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gql s HIS 32 N -3.32 0.32 -0.21 -1.55 3.76 -1.05 -4.97 115.29 108.27 1gql s HIS 32 Ca -0.07 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1gql s HIS 32 Cb 0.12 -0.22 0.05 0.00 1.11 0.00 0.00 32.58 33.64 1gql s HIS 32 CO 0.83 -0.44 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.04 1gql s LEU 33 N -2.73 2.23 -0.27 0.89 2.96 -1.26 -0.32 118.68 120.18 1gql s LEU 33 Ca 0.04 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 52.92 1gql s LEU 33 Cb 0.05 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 1gql s LEU 33 CO -0.09 -0.19 0.07 -2.28 -1.32 0.00 0.00 176.35 172.54 1gql s HIS 34 N 1.46 3.11 -0.19 5.38 5.65 0.45 -1.39 115.29 129.76 1gql s HIS 34 Ca -0.03 -0.70 -0.04 0.00 0.25 0.00 0.00 55.06 54.55 1gql s HIS 34 Cb -0.17 -2.25 0.06 0.00 -1.18 0.00 0.00 32.58 29.04 1gql s HIS 34 CO -0.07 -0.47 0.06 0.08 -0.65 0.00 0.00 174.74 173.68 1gql s VAL 35 N 1.56 0.31 0.02 0.89 1.01 -0.44 -2.45 120.40 121.30 1gql s VAL 35 Ca 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1gql s VAL 35 Cb -0.16 -0.89 -0.28 0.00 0.00 0.00 0.00 36.38 35.06 1gql s VAL 35 CO 0.03 -0.25 0.92 0.00 0.00 0.00 0.00 175.10 175.79 1gql h ALA 36 N 8.30 0.25 -2.31 5.51 0.00 -1.81 -3.34 119.26 125.87 1gql h ALA 36 Ca -0.16 -1.07 -0.51 0.00 0.00 0.00 0.00 54.91 53.17 1gql h ALA 36 Cb 1.13 0.22 0.15 0.00 0.00 0.00 0.00 17.79 19.28 1gql h ALA 36 CO 0.32 1.12 0.29 0.20 0.00 0.00 0.00 179.25 181.18 1gql s GLY 37 N -4.89 1.67 0.00 0.00 0.00 -1.23 -5.00 107.32 97.88 1gql s GLY 37 Ca -0.08 0.32 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1gql s GLY 37 CO 0.86 0.69 0.89 2.09 0.00 0.00 0.00 173.10 177.63 1gql n ASP 38 N -3.70 0.04 -4.76 1.64 5.68 -1.26 -4.75 116.55 109.45 1gql n ASP 38 Ca 0.10 -1.76 -0.32 0.00 -0.50 0.00 0.00 54.79 52.31 1gql n ASP 38 Cb 0.53 -0.15 0.09 0.00 -1.14 0.00 0.00 41.12 40.45 1gql n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1gql s SER 39 N -0.82 4.45 0.30 -1.12 1.04 -1.26 -4.75 113.70 111.54 1gql s SER 39 Ca 0.02 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.44 1gql s SER 39 Cb 0.03 -2.54 0.73 0.00 0.10 0.00 0.00 66.02 64.33 1gql s SER 39 CO -0.01 -2.07 1.75 -0.65 0.98 0.00 0.00 173.24 173.24 1gql h PRO 40 N -0.88 0.63 -0.24 4.02 0.11 -1.98 0.10 132.00 133.76 1gql h PRO 40 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1gql h PRO 40 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gql h PRO 40 CO 0.51 0.42 -0.20 1.15 -0.21 0.00 0.00 178.00 179.66 1gql h THR 41 N 0.65 1.31 -0.68 -1.15 2.02 -1.92 -0.59 112.91 112.55 1gql h THR 41 Ca 0.57 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 1gql h THR 41 Cb 0.94 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1gql h THR 41 CO -0.42 0.42 0.13 0.40 0.37 0.00 0.00 175.52 176.42 1gql h ILE 42 N 0.27 1.26 -0.94 3.11 1.08 -1.74 -1.47 117.51 119.08 1gql h ILE 42 Ca 0.04 -1.01 0.04 0.00 -0.39 0.00 0.00 64.86 63.54 1gql h ILE 42 Cb 0.74 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1gql h ILE 42 CO 0.05 0.38 0.62 0.78 -0.69 0.00 0.00 178.15 179.29 1gql h ASN 43 N 1.04 1.02 -0.56 1.72 2.35 -0.65 0.17 115.58 120.67 1gql h ASN 43 Ca 0.21 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 1gql h ASN 43 Cb 0.41 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1gql h ASN 43 CO 0.01 0.70 0.06 0.00 -1.65 0.00 0.00 177.43 176.54 1gql h ALA 44 N 1.45 0.98 -0.25 -0.83 0.00 -0.61 -0.18 119.26 119.82 1gql h ALA 44 Ca 0.38 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1gql h ALA 44 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1gql h ALA 44 CO -0.12 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 1gql h ALA 45 N 1.13 0.35 -0.58 0.00 0.00 -0.51 -1.39 119.26 118.26 1gql h ALA 45 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1gql h ALA 45 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1gql h ALA 45 CO 0.02 0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.79 1gql h ALA 46 N 0.74 0.74 -0.87 0.00 0.00 -0.54 -0.57 119.26 118.75 1gql h ALA 46 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1gql h ALA 46 Cb 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1gql h ALA 46 CO 0.03 0.23 0.46 0.00 0.00 0.00 0.00 179.25 179.97 1gql h ALA 47 N 1.16 1.16 -0.28 0.00 0.00 -0.92 0.92 119.26 121.30 1gql h ALA 47 Ca 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1gql h ALA 47 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1gql h ALA 47 CO -0.04 0.66 0.00 1.49 0.00 0.00 0.00 179.25 181.37 1gql h GLU 48 N 1.23 0.49 -0.34 0.00 4.57 -0.80 -1.93 114.58 117.80 1gql h GLU 48 Ca 0.30 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.23 1gql h GLU 48 Cb 0.06 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1gql h GLU 48 CO -0.05 0.64 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.16 1gql h LEU 49 N 0.28 0.64 -0.07 1.64 3.38 -0.92 0.14 115.31 120.39 1gql h LEU 49 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1gql h LEU 49 Cb 0.42 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1gql h LEU 49 CO 0.01 0.83 0.01 -0.61 0.09 0.00 0.00 178.44 178.78 1gql h GLN 50 N 0.57 0.12 -0.41 1.13 4.15 -0.72 0.20 115.11 120.15 1gql h GLN 50 Ca 0.09 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 1gql h GLN 50 Cb 0.65 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1gql h GLN 50 CO 0.05 0.34 -0.34 0.07 -1.93 0.00 0.00 178.83 177.03 1gql h ARG 51 N -0.12 0.94 0.37 1.69 0.11 -1.28 -1.76 114.38 114.34 1gql h ARG 51 Ca 0.02 -0.46 -0.02 0.00 0.10 0.00 0.00 59.98 59.62 1gql h ARG 51 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1gql h ARG 51 CO 0.00 1.12 -0.18 0.78 0.10 0.00 0.00 179.97 181.80 1gql h GLY 52 N 0.82 -0.53 1.33 0.08 0.00 -0.63 -1.49 103.07 102.65 1gql h GLY 52 Ca 0.08 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1gql h GLY 52 CO 0.09 -0.19 0.09 1.41 0.00 0.00 0.00 176.54 177.94 1gql h LEU 53 N -0.81 0.79 -0.59 3.11 3.38 -0.69 -0.46 115.31 120.04 1gql h LEU 53 Ca -0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1gql h LEU 53 Cb 0.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1gql h LEU 53 CO 0.08 0.80 0.19 0.28 0.09 0.00 0.00 178.44 179.88 1gql h SER 54 N 0.80 0.86 -0.04 -0.43 0.02 -1.32 0.15 113.55 113.59 1gql h SER 54 Ca 0.17 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1gql h SER 54 Cb 0.35 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1gql h SER 54 CO 0.01 0.84 -0.05 1.23 -1.14 0.00 0.00 176.83 177.71 1gql h GLY 55 N 0.83 0.11 1.31 -3.77 0.00 -1.05 -1.91 103.07 98.59 1gql h GLY 55 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1gql h GLY 55 CO -0.01 0.10 -0.25 1.41 0.00 0.00 0.00 176.54 177.80 1gql h LEU 56 N -0.39 0.80 -0.63 3.11 3.38 -1.05 -2.22 115.31 118.31 1gql h LEU 56 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1gql h LEU 56 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1gql h LEU 56 CO 0.01 1.02 -0.34 0.18 0.09 0.00 0.00 178.44 179.41 1gql n LEU 57 N -4.10 1.32 -3.65 1.67 4.32 0.04 -1.68 117.00 114.92 1gql n LEU 57 Ca -0.00 -0.41 -0.23 0.00 -0.02 0.00 0.00 56.01 55.35 1gql n LEU 57 Cb 0.45 -0.08 0.06 0.00 -1.62 0.00 0.00 43.42 42.23 1gql n LEU 57 CO 0.45 0.25 0.10 -3.20 -1.22 0.00 0.00 177.39 173.77 1gql n ASN 58 N -0.48 -3.63 -3.51 -1.43 5.15 -0.75 -4.95 115.26 105.66 1gql n ASN 58 Ca 0.11 -0.68 -0.14 0.00 -0.60 0.00 0.00 54.58 53.27 1gql n ASN 58 Cb 0.38 -4.57 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 1gql n ASN 58 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1gql s LYS 59 N -6.06 0.99 -0.22 1.20 -2.85 -1.00 -5.06 119.74 106.73 1gql s LYS 59 Ca 0.31 -0.01 -0.29 0.00 -1.00 0.00 0.00 55.97 54.98 1gql s LYS 59 Cb -0.15 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.07 1gql s LYS 59 CO 0.77 -0.36 1.43 -1.25 0.10 0.00 0.00 175.35 176.04 1gql s PRO 60 N -2.05 3.96 -0.22 1.78 0.04 -1.26 -4.18 135.00 133.08 1gql s PRO 60 Ca -0.04 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1gql s PRO 60 Cb -0.00 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.65 1gql s PRO 60 CO 0.00 -1.07 -0.14 0.42 0.04 0.00 0.00 177.00 176.25 1gql s ILE 61 N 4.44 2.27 -0.11 0.56 -1.09 -1.26 -5.02 121.20 120.99 1gql s ILE 61 Ca 0.62 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1gql s ILE 61 Cb -0.22 -2.12 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1gql s ILE 61 CO 0.24 0.28 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.37 1gql s VAL 62 N 1.24 2.73 0.12 2.92 1.01 -1.26 -4.62 120.40 122.53 1gql s VAL 62 Ca -0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 1gql s VAL 62 Cb -0.16 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1gql s VAL 62 CO -0.09 0.55 1.58 0.00 0.00 0.00 0.00 175.10 177.13 1gql s ALA 63 N 0.16 3.71 0.03 5.51 0.00 -1.26 -4.28 121.76 125.63 1gql s ALA 63 Ca -0.09 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 1gql s ALA 63 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 1gql s ALA 63 CO 0.06 -0.89 -0.01 1.03 0.00 0.00 0.00 175.76 175.94 1gql s ARG 64 N 1.78 0.40 -0.54 0.00 0.52 -0.49 -4.96 118.95 115.66 1gql s ARG 64 Ca 0.71 -0.72 -0.00 0.00 -0.52 0.00 0.00 55.73 55.20 1gql s ARG 64 Cb -0.41 0.14 0.14 0.00 0.52 0.00 0.00 34.95 35.34 1gql s ARG 64 CO 0.31 -0.07 0.32 0.34 0.02 0.00 0.00 175.30 176.22 1gql s ASP 65 N -1.77 4.93 0.30 0.23 2.15 -1.25 -1.33 116.67 119.93 1gql s ASP 65 Ca -0.11 -2.71 -0.01 0.00 0.43 0.00 0.00 52.55 50.15 1gql s ASP 65 Cb -0.06 -1.77 -0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1gql s ASP 65 CO -0.03 -0.36 0.35 -1.83 -0.17 0.00 0.00 175.17 173.14 1gql s GLU 66 N 0.15 1.67 0.29 4.34 -1.05 -1.26 -5.06 118.70 117.78 1gql s GLU 66 Ca 0.15 -1.72 -0.30 0.00 -0.15 0.00 0.00 54.97 52.95 1gql s GLU 66 Cb -0.22 0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.73 1gql s GLU 66 CO -0.03 -0.65 1.52 1.17 0.95 0.00 0.00 175.26 178.22 1gql n LYS 67 N -0.49 2.50 -1.68 -4.83 4.81 -1.26 -4.83 118.16 112.37 1gql n LYS 67 Ca 0.02 0.89 -0.45 0.00 -0.87 0.00 0.00 58.31 57.90 1gql n LYS 67 Cb 0.63 -2.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 1gql n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1gql n LEU 68 N 1.89 3.53 -4.86 3.14 7.94 -1.26 -5.00 117.00 122.39 1gql n LEU 68 Ca 0.08 1.04 -0.28 0.00 -1.11 0.00 0.00 56.01 55.75 1gql n LEU 68 Cb 0.36 -1.47 -0.05 0.00 0.53 0.00 0.00 43.42 42.78 1gql n LEU 68 CO 0.63 -0.06 -0.18 -0.54 -1.11 0.00 0.00 177.39 176.14 1gql s LYS 69 N 1.81 3.14 0.35 1.96 1.02 -1.26 -5.05 119.74 121.71 1gql s LYS 69 Ca 0.81 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 1gql s LYS 69 Cb -0.60 -2.82 -0.11 0.00 -0.52 0.00 0.00 37.83 33.78 1gql s LYS 69 CO 0.39 0.53 1.54 0.34 -0.92 0.00 0.00 175.35 177.22 1gql s ASP 70 N -2.94 6.32 -0.64 2.83 2.15 -1.26 -3.56 116.67 119.57 1gql s ASP 70 Ca 0.32 3.04 -0.02 0.00 0.43 0.00 0.00 52.55 56.32 1gql s ASP 70 Cb -0.11 -2.66 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 1gql s ASP 70 CO 0.25 -0.91 0.55 -1.22 -0.17 0.00 0.00 175.17 173.67 1gql n TYR 71 N 1.07 -1.38 -4.24 -5.34 4.01 0.37 -4.78 117.16 106.87 1gql n TYR 71 Ca 0.04 0.52 -0.28 0.00 -0.16 0.00 0.00 57.90 58.01 1gql n TYR 71 Cb 0.38 -3.57 -0.09 0.00 -0.31 0.00 0.00 39.34 35.75 1gql n TYR 71 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gql s SER 72 N -3.42 4.43 -0.22 7.72 0.01 -1.00 -0.29 113.70 120.93 1gql s SER 72 Ca 0.18 -0.45 -0.14 0.00 1.31 0.00 0.00 55.95 56.85 1gql s SER 72 Cb -0.02 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.33 1gql s SER 72 CO 0.43 0.14 0.31 -0.22 0.41 0.00 0.00 173.24 174.30 1gql s LEU 73 N -2.56 4.13 -0.14 2.44 2.96 0.57 -1.16 118.68 124.91 1gql s LEU 73 Ca 0.24 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 1gql s LEU 73 Cb -0.10 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.25 1gql s LEU 73 CO 0.15 -0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.24 1gql s VAL 74 N 1.31 2.07 0.09 1.68 1.01 0.09 -0.41 120.40 126.22 1gql s VAL 74 Ca 0.14 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.24 1gql s VAL 74 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1gql s VAL 74 CO 0.07 0.55 -0.25 0.27 0.00 0.00 0.00 175.10 175.74 1gql s ILE 75 N 0.84 2.01 -5.00 2.22 -4.36 -1.02 -1.14 121.20 114.75 1gql s ILE 75 Ca -0.06 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1gql s ILE 75 Cb -0.15 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.79 1gql s ILE 75 CO -0.03 0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.92 1gql n GLY 76 N 1.35 -1.36 3.71 6.27 0.00 -0.62 -4.36 105.19 110.17 1gql n GLY 76 Ca -0.18 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1gql n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gql s THR 77 N -2.19 3.34 0.45 2.61 -4.23 -1.26 -2.54 115.64 111.83 1gql s THR 77 Ca 0.00 -1.75 0.20 0.00 -1.18 0.00 0.00 61.69 58.96 1gql s THR 77 Cb 0.00 -2.97 0.38 0.00 1.34 0.00 0.00 72.50 71.25 1gql s THR 77 CO 0.00 -0.27 1.91 -0.65 -0.54 0.00 0.00 174.62 175.07 1gql h PRO 78 N 1.67 0.29 -0.05 3.99 0.11 -1.80 0.73 132.00 136.94 1gql h PRO 78 Ca -0.44 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1gql h PRO 78 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1gql h PRO 78 CO 0.62 0.19 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.74 1gql h ASP 79 N 0.30 0.11 -0.01 -2.05 3.32 -1.91 -3.35 116.42 112.83 1gql h ASP 79 Ca 0.39 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1gql h ASP 79 Cb 1.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1gql h ASP 79 CO -0.10 0.53 -0.02 -0.46 -1.72 0.00 0.00 179.24 177.46 1gql n ASN 80 N -4.03 1.29 -3.62 6.45 0.23 -0.68 -4.93 115.26 109.97 1gql n ASN 80 Ca -0.02 -1.15 -0.29 0.00 -0.53 0.00 0.00 54.58 52.59 1gql n ASN 80 Cb 0.47 0.10 -0.14 0.00 -2.08 0.00 0.00 39.78 38.12 1gql n ASN 80 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1gql s SER 81 N -0.51 3.65 0.47 0.53 0.15 0.16 -3.52 113.70 114.62 1gql s SER 81 Ca 0.05 -1.74 0.21 0.00 0.70 0.00 0.00 55.95 55.18 1gql s SER 81 Cb 0.04 -0.64 1.21 0.00 -1.71 0.00 0.00 66.02 64.92 1gql s SER 81 CO 0.07 -0.39 1.91 -0.65 1.20 0.00 0.00 173.24 175.39 1gql h PRO 82 N 7.85 0.25 -0.44 5.44 0.11 -1.84 -1.08 132.00 142.29 1gql h PRO 82 Ca -0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1gql h PRO 82 Cb 0.99 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1gql h PRO 82 CO 0.43 0.16 0.23 -0.07 -0.21 0.00 0.00 178.00 178.54 1gql h LEU 83 N 0.25 0.56 -0.40 2.35 3.38 -1.94 0.50 115.31 120.01 1gql h LEU 83 Ca 0.39 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1gql h LEU 83 Cb 1.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1gql h LEU 83 CO -0.09 0.51 -0.02 0.40 0.09 0.00 0.00 178.44 179.33 1gql h ILE 84 N 0.57 1.26 -0.59 1.22 1.08 -1.64 -3.03 117.51 116.39 1gql h ILE 84 Ca 0.15 -1.05 0.06 0.00 -0.39 0.00 0.00 64.86 63.63 1gql h ILE 84 Cb 0.09 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.92 1gql h ILE 84 CO -0.02 0.36 0.29 0.00 -0.69 0.00 0.00 178.15 178.09 1gql h ALA 85 N 0.88 0.77 -0.14 1.87 0.00 -1.04 -2.40 119.26 119.20 1gql h ALA 85 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1gql h ALA 85 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1gql h ALA 85 CO 0.02 -0.06 0.26 0.66 0.00 0.00 0.00 179.25 180.13 1gql h SER 86 N 0.55 0.00 0.95 0.00 4.64 -0.77 -0.81 113.55 118.11 1gql h SER 86 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1gql h SER 86 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1gql h SER 86 CO -0.20 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.94 1gql n LEU 87 N -3.40 0.37 -4.05 5.97 4.77 -0.90 -4.96 117.00 114.81 1gql n LEU 87 Ca 0.01 0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 56.15 1gql n LEU 87 Cb 0.36 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1gql n LEU 87 CO 0.22 -0.24 -0.22 0.59 -1.33 0.00 0.00 177.39 176.42 1gql n ASN 88 N -1.88 -3.02 0.23 -1.43 4.13 -0.31 -4.86 115.26 108.13 1gql n ASN 88 Ca 0.05 -1.23 0.09 0.00 1.68 0.00 0.00 54.58 55.16 1gql n ASN 88 Cb 0.30 -2.06 0.58 0.00 -1.54 0.00 0.00 39.78 37.06 1gql n ASN 88 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1gql h LEU 89 N -2.29 0.00 0.00 3.41 3.38 -1.83 -3.47 115.31 114.51 1gql h LEU 89 Ca -0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1gql h LEU 89 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1gql h LEU 89 CO 0.56 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1gql n GLY 90 N -0.66 3.62 0.37 0.83 0.00 -1.26 -2.63 105.19 105.46 1gql n GLY 90 Ca -0.02 0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.31 1gql n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gql h GLU 91 N 0.00 0.53 -0.59 1.61 5.08 -1.98 -0.91 114.58 118.32 1gql h GLU 91 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1gql h GLU 91 Cb 0.00 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1gql h GLU 91 CO 0.00 0.35 0.36 0.00 -1.00 0.00 0.00 179.01 178.72 1gql h ARG 92 N 0.55 0.69 -0.04 2.33 3.08 -1.91 -1.89 114.38 117.19 1gql h ARG 92 Ca 0.61 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.45 1gql h ARG 92 Cb 1.27 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1gql h ARG 92 CO -0.39 0.46 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.14 1gql h LEU 93 N 0.71 0.30 -0.77 3.04 3.38 -1.38 -3.33 115.31 117.27 1gql h LEU 93 Ca 0.23 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1gql h LEU 93 Cb 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1gql h LEU 93 CO -0.10 0.94 0.47 1.56 0.09 0.00 0.00 178.44 181.41 1gql h GLN 94 N 0.16 0.87 0.00 1.13 4.20 -0.63 -2.31 115.11 118.54 1gql h GLN 94 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1gql h GLN 94 Cb 1.32 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1gql h GLN 94 CO 0.12 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.86 1gql h ALA 95 N 1.35 1.00 0.00 3.87 0.00 -1.47 -3.03 119.26 120.98 1gql h ALA 95 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1gql h ALA 95 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gql h ALA 95 CO -0.14 0.00 -0.36 -0.07 0.00 0.00 0.00 179.25 178.67 1gql h LEU 96 N 0.00 0.00 0.00 0.00 3.38 -1.57 -3.48 115.31 113.64 1gql h LEU 96 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gql h LEU 96 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gql h LEU 96 CO 0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1gql n GLY 97 N 1.18 0.62 0.16 0.83 0.00 -1.15 -1.64 105.19 105.19 1gql n GLY 97 Ca 0.02 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1gql n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gql h ALA 98 N -0.76 0.95 0.00 4.61 0.00 -1.95 -3.36 119.26 118.74 1gql h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gql h ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gql h ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1gql n GLU 99 N -2.70 0.51 -2.33 0.00 1.02 -1.25 -4.46 120.64 111.42 1gql n GLU 99 Ca 0.04 -0.21 -0.25 0.00 -0.02 0.00 0.00 57.16 56.72 1gql n GLU 99 Cb 0.49 -0.66 0.10 0.00 -0.02 0.00 0.00 31.44 31.35 1gql n GLU 99 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1gql s GLY 100 N -0.13 1.75 0.19 0.62 0.00 -0.65 -4.29 107.32 104.80 1gql s GLY 100 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 44.72 43.27 1gql s GLY 100 CO 0.00 -0.78 0.47 -2.52 0.00 0.00 0.00 173.10 170.27 1gql s TYR 101 N -3.28 0.02 -0.04 1.90 -0.85 -0.34 -4.35 117.35 110.42 1gql s TYR 101 Ca 0.64 -0.37 0.04 0.00 -0.52 0.00 0.00 57.07 56.87 1gql s TYR 101 Cb -0.08 0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 1gql s TYR 101 CO 0.45 -0.89 -0.16 -1.17 -1.52 0.00 0.00 175.55 172.27 1gql s LEU 102 N -2.90 1.90 -0.17 -3.49 0.20 0.66 -1.44 118.68 113.43 1gql s LEU 102 Ca 0.12 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.61 1gql s LEU 102 Cb -0.00 -0.91 0.01 0.00 -0.43 0.00 0.00 46.19 44.86 1gql s LEU 102 CO -0.01 0.14 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.25 1gql s LEU 103 N 0.05 2.28 -0.20 -0.68 1.43 0.43 -1.03 118.68 120.97 1gql s LEU 103 Ca -0.03 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1gql s LEU 103 Cb -0.11 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.65 1gql s LEU 103 CO 0.02 0.03 0.50 -0.70 0.23 0.00 0.00 176.35 176.43 1gql s GLU 104 N 1.13 0.53 -0.10 1.70 2.12 -0.93 -0.48 118.70 122.66 1gql s GLU 104 Ca 0.01 0.83 -0.26 0.00 0.36 0.00 0.00 54.97 55.90 1gql s GLU 104 Cb -0.14 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 1gql s GLU 104 CO -0.07 -0.12 0.86 -1.14 -0.54 0.00 0.00 175.26 174.25 1gql s GLN 105 N 0.96 4.40 0.00 4.30 0.74 0.19 -0.67 119.66 129.58 1gql s GLN 105 Ca -0.06 1.13 0.00 0.00 0.05 0.00 0.00 55.36 56.48 1gql s GLN 105 Cb -0.06 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.53 1gql s GLN 105 CO -0.08 -0.19 0.00 -2.37 -0.55 0.00 0.00 175.29 172.10 1gql n THR 106 N 4.34 0.00 -4.45 -0.34 5.66 -0.01 -4.77 114.28 114.70 1gql n THR 106 Ca 0.04 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.84 1gql n THR 106 Cb 0.50 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 1gql n THR 106 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1gql s ARG 107 N 0.41 0.87 -0.16 1.09 1.81 -1.26 -1.28 118.95 120.43 1gql s ARG 107 Ca 0.00 -0.37 -0.01 0.00 -1.72 0.00 0.00 55.73 53.63 1gql s ARG 107 Cb 0.00 -0.84 0.04 0.00 -0.45 0.00 0.00 34.95 33.71 1gql s ARG 107 CO 0.00 0.22 -0.03 0.42 -0.68 0.00 0.00 175.30 175.23 1gql s ILE 108 N -0.21 0.90 -1.44 1.52 1.01 -0.67 -4.83 121.20 117.50 1gql s ILE 108 Ca 0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1gql s ILE 108 Cb -0.04 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.32 1gql s ILE 108 CO -0.00 0.08 0.66 0.59 0.00 0.00 0.00 174.94 176.26 1gql n ASN 109 N 4.94 -1.79 0.00 3.58 5.03 -1.26 -1.35 115.26 124.41 1gql n ASN 109 Ca -0.11 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.44 1gql n ASN 109 Cb 0.48 -3.48 0.00 0.00 -1.02 0.00 0.00 39.78 35.76 1gql n ASN 109 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1gql n LYS 110 N -4.42 0.00 -2.58 3.52 4.81 -1.26 -4.99 118.16 113.24 1gql n LYS 110 Ca -0.19 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.84 1gql n LYS 110 Cb 0.63 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.20 1gql n LYS 110 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1gql s ARG 111 N 0.00 4.72 -0.01 1.64 3.00 -0.45 -5.00 118.95 122.84 1gql s ARG 111 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 55.73 57.11 1gql s ARG 111 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 34.95 31.68 1gql s ARG 111 CO 0.00 0.32 1.20 -1.01 0.00 0.00 0.00 175.30 175.81 1gql s HIS 112 N -1.10 3.27 0.06 -0.53 3.76 -1.26 -1.66 115.29 117.81 1gql s HIS 112 Ca 0.43 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 1gql s HIS 112 Cb -0.29 -3.43 -0.04 0.00 1.11 0.00 0.00 32.58 29.93 1gql s HIS 112 CO 0.37 -1.33 -0.04 0.14 -0.85 0.00 0.00 174.74 173.03 1gql s VAL 113 N 1.80 0.35 -0.12 -0.90 -7.23 -0.40 -0.47 120.40 113.42 1gql s VAL 113 Ca 0.57 -1.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1gql s VAL 113 Cb -0.27 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1gql s VAL 113 CO 0.25 -0.81 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.31 1gql s VAL 114 N -3.14 2.13 -0.01 1.32 1.01 -0.31 -0.83 120.40 120.57 1gql s VAL 114 Ca 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1gql s VAL 114 Cb 0.02 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1gql s VAL 114 CO -0.06 0.55 0.11 0.27 0.00 0.00 0.00 175.10 175.97 1gql s ILE 115 N 0.59 4.92 -0.35 2.22 -4.36 0.16 -0.73 121.20 123.64 1gql s ILE 115 Ca -0.12 -0.32 0.04 0.00 -0.26 0.00 0.00 60.65 59.99 1gql s ILE 115 Cb -0.17 -3.25 0.10 0.00 1.25 0.00 0.00 42.46 40.39 1gql s ILE 115 CO 0.03 0.36 0.07 -0.69 0.24 0.00 0.00 174.94 174.95 1gql s VAL 116 N -1.21 2.28 0.03 8.37 1.01 -0.29 -2.20 120.40 128.39 1gql s VAL 116 Ca 0.23 -2.41 0.07 0.00 0.00 0.00 0.00 61.98 59.88 1gql s VAL 116 Cb -0.12 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1gql s VAL 116 CO 0.14 -0.62 -0.19 0.00 0.00 0.00 0.00 175.10 174.44 1gql s ALA 117 N 0.82 2.53 0.26 5.51 0.00 -0.20 -1.59 121.76 129.09 1gql s ALA 117 Ca 0.11 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 1gql s ALA 117 Cb -0.19 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.22 1gql s ALA 117 CO -0.08 0.56 0.62 0.00 0.00 0.00 0.00 175.76 176.87 1gql s ALA 118 N -0.87 -0.88 0.14 0.00 0.00 -1.05 -0.25 121.76 118.85 1gql s ALA 118 Ca 0.14 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.72 1gql s ALA 118 Cb -0.10 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1gql s ALA 118 CO 0.04 -0.95 1.40 -0.91 0.00 0.00 0.00 175.76 175.34 1gql h ASN 119 N 2.10 0.00 -2.65 0.00 2.35 -1.78 -3.37 115.58 112.24 1gql h ASN 119 Ca -0.22 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.00 1gql h ASN 119 Cb 1.25 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.48 1gql h ASN 119 CO 0.29 0.83 -0.66 -0.94 -1.65 0.00 0.00 177.43 175.29 1gql s SER 120 N -6.71 3.02 0.24 5.81 1.04 -1.26 -4.87 113.70 110.97 1gql s SER 120 Ca 0.01 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.21 1gql s SER 120 Cb 0.11 -0.22 0.27 0.00 0.10 0.00 0.00 66.02 66.28 1gql s SER 120 CO 0.79 -0.34 1.63 0.44 0.98 0.00 0.00 173.24 176.74 1gql h ASP 121 N 2.17 0.57 -0.16 7.02 3.32 -1.91 -2.54 116.42 124.88 1gql h ASP 121 Ca -0.41 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.33 1gql h ASP 121 Cb 1.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1gql h ASP 121 CO 0.69 0.87 -0.15 1.62 -1.72 0.00 0.00 179.24 180.55 1gql h VAL 122 N 0.46 1.24 -0.71 -1.35 3.04 -1.93 -1.02 116.25 115.99 1gql h VAL 122 Ca 0.05 -1.11 0.01 0.00 -1.01 0.00 0.00 66.70 64.64 1gql h VAL 122 Cb 0.82 1.17 -0.04 0.00 -2.01 0.00 0.00 31.29 31.24 1gql h VAL 122 CO 0.07 0.36 0.46 1.23 -1.01 0.00 0.00 177.57 178.68 1gql h GLY 123 N 0.96 1.00 1.00 3.17 0.00 -1.66 0.05 103.07 107.59 1gql h GLY 123 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1gql h GLY 123 CO 0.04 0.34 0.37 -2.08 0.00 0.00 0.00 176.54 175.21 1gql h VAL 124 N 0.94 1.15 0.03 4.60 2.07 -0.99 -0.59 116.25 123.45 1gql h VAL 124 Ca 0.26 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1gql h VAL 124 Cb -0.08 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1gql h VAL 124 CO -0.07 0.14 -0.09 0.25 0.02 0.00 0.00 177.57 177.82 1gql h LEU 125 N 0.76 -0.25 -0.59 2.57 5.85 -0.58 -0.08 115.31 122.99 1gql h LEU 125 Ca 0.21 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1gql h LEU 125 Cb -0.09 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1gql h LEU 125 CO -0.04 -0.13 0.36 1.88 -0.34 0.00 0.00 178.44 180.16 1gql h TYR 126 N -0.17 0.77 -0.56 1.25 0.05 -0.85 -1.65 116.97 115.81 1gql h TYR 126 Ca 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1gql h TYR 126 Cb 0.20 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1gql h TYR 126 CO -0.14 0.52 0.28 0.78 -1.05 0.00 0.00 178.16 178.55 1gql h GLY 127 N 0.80 0.83 1.00 3.88 0.00 -0.95 -1.29 103.07 107.35 1gql h GLY 127 Ca 0.21 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1gql h GLY 127 CO -0.04 0.36 0.07 1.76 0.00 0.00 0.00 176.54 178.69 1gql h SER 128 N 0.78 0.84 -0.43 0.19 0.02 -0.45 -0.19 113.55 114.31 1gql h SER 128 Ca 0.20 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1gql h SER 128 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1gql h SER 128 CO -0.03 0.90 -0.02 -0.26 -1.14 0.00 0.00 176.83 176.28 1gql h PHE 129 N 0.76 0.91 -0.58 3.45 0.04 -0.97 -1.20 116.94 119.35 1gql h PHE 129 Ca 0.16 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1gql h PHE 129 Cb 0.43 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1gql h PHE 129 CO 0.03 0.84 0.07 1.25 -0.60 0.00 0.00 178.31 179.90 1gql h HIS 130 N 0.78 1.05 -0.27 -0.55 2.76 -0.92 0.15 115.15 118.16 1gql h HIS 130 Ca 0.15 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1gql h HIS 130 Cb 0.50 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1gql h HIS 130 CO 0.03 0.92 0.11 1.25 -1.30 0.00 0.00 177.93 178.94 1gql h LEU 131 N 0.88 0.14 -0.84 0.26 7.12 -0.76 0.67 115.31 122.78 1gql h LEU 131 Ca 0.17 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.22 1gql h LEU 131 Cb 0.46 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.55 1gql h LEU 131 CO 0.02 0.12 0.55 -0.07 -0.13 0.00 0.00 178.44 178.93 1gql h LEU 132 N 0.24 0.95 -1.22 2.25 3.38 -1.01 -2.44 115.31 117.47 1gql h LEU 132 Ca 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1gql h LEU 132 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1gql h LEU 132 CO -0.11 0.69 0.33 -0.09 0.09 0.00 0.00 178.44 179.35 1gql h ARG 133 N 1.13 0.87 -0.70 1.13 2.43 0.22 0.34 114.38 119.78 1gql h ARG 133 Ca 0.31 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1gql h ARG 133 Cb -0.12 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.22 1gql h ARG 133 CO -0.07 0.65 0.46 -0.07 -1.51 0.00 0.00 179.97 179.43 1gql h LEU 134 N 0.87 0.78 -0.19 3.80 3.38 -0.44 -1.26 115.31 122.25 1gql h LEU 134 Ca 0.22 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1gql h LEU 134 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1gql h LEU 134 CO -0.03 0.56 -0.26 0.40 0.09 0.00 0.00 178.44 179.20 1gql h ILE 135 N 0.93 1.34 -0.87 1.22 2.04 -1.09 0.13 117.51 121.21 1gql h ILE 135 Ca 0.27 -1.46 0.16 0.00 1.00 0.00 0.00 64.86 64.82 1gql h ILE 135 Cb -0.07 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 1gql h ILE 135 CO -0.07 0.44 0.56 1.56 0.00 0.00 0.00 178.15 180.65 1gql h GLN 136 N 0.18 0.57 -0.68 2.37 4.20 -0.05 -1.84 115.11 119.85 1gql h GLN 136 Ca 0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1gql h GLN 136 Cb 0.83 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1gql h GLN 136 CO 0.06 0.38 0.00 0.25 -0.67 0.00 0.00 178.83 178.85 1gql n THR 137 N -4.54 1.52 -3.62 -0.54 -2.24 -0.50 -4.50 114.28 99.86 1gql n THR 137 Ca 0.17 -1.13 -0.23 0.00 -2.27 0.00 0.00 64.05 60.59 1gql n THR 137 Cb 0.53 0.27 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 1gql n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gql n GLN 138 N 1.30 -6.95 -3.49 -0.78 6.02 -0.69 -5.00 117.38 107.80 1gql n GLN 138 Ca 0.25 0.77 -0.34 0.00 -0.01 0.00 0.00 57.00 57.67 1gql n GLN 138 Cb 0.79 -5.75 -0.05 0.00 1.02 0.00 0.00 30.24 26.25 1gql n GLN 138 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gql s HIS 139 N -3.36 3.56 0.33 1.08 3.76 0.41 -5.04 115.29 116.02 1gql s HIS 139 Ca 0.40 0.87 -0.27 0.00 -0.15 0.00 0.00 55.06 55.92 1gql s HIS 139 Cb -0.18 -2.23 -0.09 0.00 1.11 0.00 0.00 32.58 31.18 1gql s HIS 139 CO 0.76 0.44 1.03 0.00 -0.85 0.00 0.00 174.74 176.12 1gql s ALA 140 N -1.50 3.24 -0.68 -1.40 0.00 -1.26 -4.60 121.76 115.56 1gql s ALA 140 Ca 0.37 0.72 0.23 0.00 0.00 0.00 0.00 51.96 53.29 1gql s ALA 140 Cb -0.14 -3.27 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1gql s ALA 140 CO 0.19 -0.08 1.06 1.28 0.00 0.00 0.00 175.76 178.21 1gql n LEU 141 N 0.63 0.63 -4.73 0.00 4.32 -1.26 -4.79 117.00 111.80 1gql n LEU 141 Ca 0.02 -0.05 -0.42 0.00 -0.02 0.00 0.00 56.01 55.54 1gql n LEU 141 Cb 0.48 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 1gql n LEU 141 CO 0.48 0.07 1.15 -0.70 -1.22 0.00 0.00 177.39 177.17 1gql s GLU 142 N -3.16 4.25 -2.04 3.23 2.56 -1.26 -1.40 118.70 120.87 1gql s GLU 142 Ca 0.05 2.32 0.00 0.00 0.00 0.00 0.00 54.97 57.33 1gql s GLU 142 Cb 0.15 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 33.15 1gql s GLU 142 CO 0.80 -0.49 0.00 1.63 -0.56 0.00 0.00 175.26 176.63 1gql n LYS 143 N 3.01 -1.45 -1.71 4.30 4.76 -1.26 -4.93 118.16 120.88 1gql n LYS 143 Ca 0.10 1.15 -0.43 0.00 -2.87 0.00 0.00 58.31 56.26 1gql n LYS 143 Cb 0.40 -5.57 -0.03 0.00 -1.84 0.00 0.00 35.03 27.99 1gql n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1gql n LEU 144 N -2.43 3.80 -3.18 -0.35 7.94 -0.50 -4.85 117.00 117.44 1gql n LEU 144 Ca -0.21 1.09 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 1gql n LEU 144 Cb 0.67 -1.53 -0.01 0.00 0.53 0.00 0.00 43.42 43.07 1gql n LEU 144 CO 0.30 0.02 0.07 -0.55 -1.11 0.00 0.00 177.39 176.12 1gql s SER 145 N 0.92 -1.31 -0.01 1.96 0.15 -1.24 -0.64 113.70 113.53 1gql s SER 145 Ca 0.73 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.26 1gql s SER 145 Cb -0.55 1.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1gql s SER 145 CO 0.38 -0.30 0.28 -1.48 1.20 0.00 0.00 173.24 173.32 1gql s LEU 146 N 2.70 0.97 0.07 3.45 0.05 0.37 -5.01 118.68 121.27 1gql s LEU 146 Ca 0.10 0.04 0.03 0.00 0.05 0.00 0.00 54.13 54.35 1gql s LEU 146 Cb -0.10 1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 45.17 1gql s LEU 146 CO -0.25 -0.43 -0.09 -0.94 -0.55 0.00 0.00 176.35 174.09 1gql s SER 147 N -1.32 1.15 -0.10 1.48 1.04 -1.26 -0.42 113.70 114.27 1gql s SER 147 Ca -0.14 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 1gql s SER 147 Cb -0.06 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.14 1gql s SER 147 CO 0.04 -0.25 0.47 -0.55 0.98 0.00 0.00 173.24 173.93 1gql s SER 148 N -2.06 -0.43 0.02 7.02 0.15 -0.52 -5.01 113.70 112.87 1gql s SER 148 Ca -0.02 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1gql s SER 148 Cb -0.06 0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 1gql s SER 148 CO -0.00 -0.34 -0.04 0.00 1.20 0.00 0.00 173.24 174.05 1gql s ALA 149 N -0.54 0.28 0.50 5.45 0.00 -1.26 -1.19 121.76 125.00 1gql s ALA 149 Ca -0.07 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.23 1gql s ALA 149 Cb -0.03 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.06 1gql s ALA 149 CO 0.04 -0.04 1.12 -1.25 0.00 0.00 0.00 175.76 175.63 1gql s PRO 150 N -0.96 3.58 0.04 0.00 0.04 -1.26 -4.93 135.00 131.50 1gql s PRO 150 Ca -0.08 1.61 0.23 0.00 0.04 0.00 0.00 61.00 62.80 1gql s PRO 150 Cb -0.07 -2.15 0.19 0.00 0.04 0.00 0.00 34.50 32.51 1gql s PRO 150 CO -0.00 -0.66 1.17 0.54 0.04 0.00 0.00 177.00 178.08 1gql n ARG 151 N -0.97 0.17 -4.59 4.56 1.74 0.06 -4.89 116.66 112.75 1gql n ARG 151 Ca 0.10 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.96 1gql n ARG 151 Cb 0.50 -1.57 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 1gql n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gql s LEU 152 N -3.58 2.12 -0.02 0.55 1.43 -1.25 -4.64 118.68 113.29 1gql s LEU 152 Ca 0.07 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1gql s LEU 152 Cb 0.15 -0.80 -0.20 0.00 0.03 0.00 0.00 46.19 45.37 1gql s LEU 152 CO 0.77 0.13 1.16 -0.61 0.23 0.00 0.00 176.35 178.03 1gql h GLN 153 N 5.21 0.19 -4.73 1.70 4.15 -1.85 -3.43 115.11 116.35 1gql h GLN 153 Ca -0.39 -0.14 -0.69 0.00 0.77 0.00 0.00 58.65 58.20 1gql h GLN 153 Cb 1.16 0.03 -0.29 0.00 0.21 0.00 0.00 27.48 28.59 1gql h GLN 153 CO 0.46 0.78 -0.63 -1.01 -1.93 0.00 0.00 178.83 176.50 1gql s HIS 154 N -3.66 3.22 -0.35 3.99 3.76 -0.24 -4.98 115.29 117.02 1gql s HIS 154 Ca -0.15 -1.40 0.04 0.00 -0.15 0.00 0.00 55.06 53.39 1gql s HIS 154 Cb 0.02 -2.23 0.10 0.00 1.11 0.00 0.00 32.58 31.58 1gql s HIS 154 CO 0.73 -0.71 0.07 1.03 -0.85 0.00 0.00 174.74 175.01 1gql s ARG 155 N 1.40 1.47 0.10 1.40 0.52 -1.26 -1.16 118.95 121.42 1gql s ARG 155 Ca -0.01 -1.89 0.07 0.00 -0.52 0.00 0.00 55.73 53.38 1gql s ARG 155 Cb -0.19 -3.15 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1gql s ARG 155 CO 0.02 -0.95 -0.19 0.54 0.02 0.00 0.00 175.30 174.74 1gql s VAL 156 N 0.86 1.55 0.09 3.52 0.11 -0.22 -0.80 120.40 125.50 1gql s VAL 156 Ca 0.11 -1.52 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 1gql s VAL 156 Cb -0.19 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 1gql s VAL 156 CO -0.08 -0.14 0.04 0.68 -3.33 0.00 0.00 175.10 172.27 1gql s VAL 157 N -1.32 4.30 -0.00 2.04 -7.23 -0.64 -1.35 120.40 116.19 1gql s VAL 157 Ca 0.05 -0.88 0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1gql s VAL 157 Cb -0.09 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 1gql s VAL 157 CO 0.04 0.12 -0.22 0.20 -0.31 0.00 0.00 175.10 174.92 1gql s ASN 158 N -2.38 2.58 -0.14 4.85 0.01 0.66 -0.80 114.94 119.72 1gql s ASN 158 Ca 0.28 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1gql s ASN 158 Cb -0.12 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.29 1gql s ASN 158 CO 0.20 0.25 -0.12 -1.00 -1.51 0.00 0.00 177.10 174.92 1gql s HIS 159 N -0.58 1.97 -1.37 2.20 3.76 -0.32 -1.61 115.29 119.35 1gql s HIS 159 Ca 0.08 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 53.84 1gql s HIS 159 Cb -0.09 -1.49 0.09 0.00 1.11 0.00 0.00 32.58 32.21 1gql s HIS 159 CO -0.00 -0.63 2.47 0.91 -0.85 0.00 0.00 174.74 176.64 1gql n TRP 160 N 4.82 2.57 -3.70 1.40 8.01 -1.26 -3.14 117.44 126.14 1gql n TRP 160 Ca -0.16 -2.86 -0.35 0.00 -1.31 0.00 0.00 57.50 52.82 1gql n TRP 160 Cb 0.50 -1.93 -0.08 0.00 -2.01 0.00 0.00 31.31 27.79 1gql n TRP 160 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1gql s ASP 161 N 0.63 6.23 0.46 -0.99 1.11 -1.26 -0.78 116.67 122.06 1gql s ASP 161 Ca 0.56 0.25 -0.08 0.00 0.18 0.00 0.00 52.55 53.47 1gql s ASP 161 Cb 0.18 -2.10 -0.05 0.00 1.07 0.00 0.00 42.92 42.02 1gql s ASP 161 CO -0.09 0.16 0.79 0.20 1.18 0.00 0.00 175.17 177.42 1gql s ASN 162 N 0.43 6.37 0.53 0.27 0.01 -0.30 -1.07 114.94 121.18 1gql s ASN 162 Ca 0.09 1.05 0.32 0.00 -0.71 0.00 0.00 52.86 53.61 1gql s ASN 162 Cb -0.11 -2.30 1.18 0.00 0.41 0.00 0.00 41.25 40.43 1gql s ASN 162 CO -0.01 -0.52 1.91 -0.07 -1.51 0.00 0.00 177.10 176.91 1gql h LEU 163 N 0.64 0.00 0.00 0.60 3.38 -1.98 -0.47 115.31 117.48 1gql h LEU 163 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1gql h LEU 163 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1gql h LEU 163 CO 0.63 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.70 1gql n ASN 164 N -3.09 0.00 0.00 -0.43 0.23 -1.26 -4.87 115.26 105.84 1gql n ASN 164 Ca 0.01 -0.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 1gql n ASN 164 Cb 0.35 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1gql n ASN 164 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1gql n ARG 165 N -1.24 0.00 -2.79 -3.83 1.74 -0.18 -5.00 116.66 105.37 1gql n ARG 165 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1gql n ARG 165 Cb 0.13 -2.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.01 1gql n ARG 165 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gql s VAL 166 N -2.64 4.43 -0.23 1.55 1.01 -1.26 0.02 120.40 123.28 1gql s VAL 166 Ca 0.00 1.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.87 1gql s VAL 166 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1gql s VAL 166 CO 0.00 0.38 0.13 -0.69 0.00 0.00 0.00 175.10 174.92 1gql s VAL 167 N -0.36 5.17 -0.18 2.92 1.01 -1.26 -1.15 120.40 126.55 1gql s VAL 167 Ca 0.44 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 1gql s VAL 167 Cb -0.23 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1gql s VAL 167 CO 0.29 0.37 1.26 -0.70 0.00 0.00 0.00 175.10 176.32 1gql s GLU 168 N 0.98 4.20 -1.05 2.72 2.12 0.04 -2.23 118.70 125.48 1gql s GLU 168 Ca 0.07 1.61 -0.05 0.00 0.36 0.00 0.00 54.97 56.95 1gql s GLU 168 Cb -0.13 -3.77 0.01 0.00 0.26 0.00 0.00 34.13 30.49 1gql s GLU 168 CO 0.04 -0.75 0.91 0.54 -0.54 0.00 0.00 175.26 175.46 1gql n ARG 169 N 6.67 -6.10 -3.97 4.30 5.12 -1.26 -4.66 116.66 116.76 1gql n ARG 169 Ca 0.14 0.67 -0.34 0.00 -1.93 0.00 0.00 57.85 56.38 1gql n ARG 169 Cb 0.45 -5.20 -0.15 0.00 -1.16 0.00 0.00 32.46 26.41 1gql n ARG 169 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gql s GLY 170 N -3.47 1.57 -0.09 -0.13 0.00 -0.95 -4.81 107.32 99.44 1gql s GLY 170 Ca 0.35 -1.29 0.12 0.00 0.00 0.00 0.00 44.72 43.90 1gql s GLY 170 CO 0.58 0.43 1.13 -1.72 0.00 0.00 0.00 173.10 173.53 1gql n TYR 171 N 4.71 0.11 -1.35 1.90 4.01 -1.26 -4.62 117.16 120.67 1gql n TYR 171 Ca -0.18 -0.81 0.07 0.00 -0.16 0.00 0.00 57.90 56.82 1gql n TYR 171 Cb 0.49 -0.13 0.09 0.00 -0.31 0.00 0.00 39.34 39.49 1gql n TYR 171 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gql n ALA 172 N -0.96 2.16 0.00 -0.72 0.00 -1.26 -4.55 120.51 115.18 1gql n ALA 172 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1gql n ALA 172 Cb 0.53 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1gql n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gql n GLY 173 N -0.95 -0.37 3.78 0.00 0.00 -1.26 -1.84 105.19 104.56 1gql n GLY 173 Ca 0.10 -2.25 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1gql n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gql s LEU 174 N 0.00 2.89 0.35 0.99 1.43 -1.26 -4.44 118.68 118.63 1gql s LEU 174 Ca 0.00 1.62 -0.27 0.00 -1.03 0.00 0.00 54.13 54.45 1gql s LEU 174 Cb 0.00 -4.33 -0.12 0.00 0.03 0.00 0.00 46.19 41.77 1gql s LEU 174 CO 0.00 -1.90 1.17 -0.24 0.23 0.00 0.00 176.35 175.61 1gql n SER 175 N -3.42 2.13 0.28 2.29 2.88 0.10 -0.87 113.62 117.02 1gql n SER 175 Ca 0.08 1.17 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 1gql n SER 175 Cb 0.54 -1.41 0.84 0.00 -0.75 0.00 0.00 64.21 63.42 1gql n SER 175 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1gql h LEU 176 N 2.21 0.00 -8.72 2.46 3.38 -1.89 -3.43 115.31 109.32 1gql h LEU 176 Ca -0.44 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.94 1gql h LEU 176 Cb 1.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.96 1gql h LEU 176 CO 0.61 0.07 0.64 0.26 0.09 0.00 0.00 178.44 180.11 1gql s TRP 177 N -4.13 2.94 -1.18 1.13 0.23 -1.26 -4.95 118.94 111.73 1gql s TRP 177 Ca -0.03 0.53 -0.10 0.00 -2.03 0.00 0.00 56.10 54.47 1gql s TRP 177 Cb 0.13 -3.97 0.22 0.00 0.03 0.00 0.00 33.47 29.88 1gql s TRP 177 CO 0.54 -1.06 1.42 -3.47 0.96 0.00 0.00 176.95 175.33 1gql n ASP 178 N 7.18 5.45 -0.29 2.95 2.03 -1.26 -4.84 116.55 127.77 1gql n ASP 178 Ca 0.07 -3.07 0.15 0.00 0.52 0.00 0.00 54.79 52.46 1gql n ASP 178 Cb 0.48 -1.46 0.41 0.00 -0.72 0.00 0.00 41.12 39.84 1gql n ASP 178 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1gql h TRP 179 N 6.54 0.79 0.00 -0.67 4.06 -1.92 -1.09 115.95 123.66 1gql h TRP 179 Ca 0.27 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.24 1gql h TRP 179 Cb 0.80 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1gql h TRP 179 CO 1.01 0.22 -0.05 0.78 -3.56 0.00 0.00 178.44 176.84 1gql h GLY 180 N 0.61 0.00 -0.69 1.49 0.00 -1.96 -2.77 103.07 99.75 1gql h GLY 180 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1gql h GLY 180 CO -0.25 0.00 -0.18 -1.14 0.00 0.00 0.00 176.54 174.97 1gql n SER 181 N -3.50 1.56 -4.85 0.19 3.41 -0.46 -4.99 113.62 104.98 1gql n SER 181 Ca -0.02 -1.28 -0.32 0.00 -0.26 0.00 0.00 58.87 56.99 1gql n SER 181 Cb 0.16 0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1gql n SER 181 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gql s LEU 182 N -1.58 4.01 0.00 1.04 1.43 -0.93 -0.96 118.68 121.70 1gql s LEU 182 Ca 0.12 1.28 0.30 0.00 -1.03 0.00 0.00 54.13 54.79 1gql s LEU 182 Cb 0.10 -4.10 1.46 0.00 0.03 0.00 0.00 46.19 43.69 1gql s LEU 182 CO 0.27 -0.25 1.99 -0.81 0.23 0.00 0.00 176.35 177.78 1gql n PRO 183 N -0.56 0.87 -0.29 1.29 -0.04 -1.26 -4.83 135.00 130.19 1gql n PRO 183 Ca 0.04 -0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.22 1gql n PRO 183 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1gql n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1gql h ASN 184 N 0.54 1.04 -3.47 3.54 4.21 -1.88 -3.40 115.58 116.16 1gql h ASN 184 Ca 0.00 -0.14 -0.72 0.00 1.21 0.00 0.00 56.30 56.65 1gql h ASN 184 Cb 0.25 -0.27 -0.21 0.00 -1.12 0.00 0.00 38.32 36.98 1gql h ASN 184 CO 0.00 0.89 -0.36 -0.47 -1.29 0.00 0.00 177.43 176.20 1gql s TYR 185 N -5.67 3.22 -1.05 1.19 5.04 -0.13 -5.01 117.35 114.95 1gql s TYR 185 Ca -0.13 -0.61 -0.17 0.00 -2.44 0.00 0.00 57.07 53.73 1gql s TYR 185 Cb 0.15 -2.77 0.15 0.00 0.35 0.00 0.00 41.96 39.84 1gql s TYR 185 CO 0.82 -0.66 1.27 -0.51 -1.34 0.00 0.00 175.55 175.13 1gql s LEU 186 N 1.78 5.03 0.28 6.97 1.43 -1.26 -4.69 118.68 128.21 1gql s LEU 186 Ca 0.06 -2.45 -0.29 0.00 -1.03 0.00 0.00 54.13 50.42 1gql s LEU 186 Cb -0.20 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 1gql s LEU 186 CO 0.10 -0.93 1.38 0.00 0.23 0.00 0.00 176.35 177.13 1gql s ALA 187 N 2.25 3.57 0.46 4.21 0.00 -1.26 -4.89 121.76 126.11 1gql s ALA 187 Ca 0.37 1.29 0.21 0.00 0.00 0.00 0.00 51.96 53.83 1gql s ALA 187 Cb -0.04 -3.52 1.20 0.00 0.00 0.00 0.00 23.12 20.76 1gql s ALA 187 CO -0.05 -0.70 1.92 -1.35 0.00 0.00 0.00 175.76 175.58 1gql h PRO 188 N 4.43 0.25 -0.19 0.00 0.11 -2.01 -1.95 132.00 132.64 1gql h PRO 188 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1gql h PRO 188 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1gql h PRO 188 CO 0.73 0.17 0.15 -0.09 -0.21 0.00 0.00 178.00 178.74 1gql h ARG 189 N 0.26 0.00 -0.65 1.05 2.43 -1.99 -0.35 114.38 115.12 1gql h ARG 189 Ca 0.37 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 1gql h ARG 189 Cb 1.08 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1gql h ARG 189 CO -0.09 0.00 0.16 1.88 -1.51 0.00 0.00 179.97 180.41 1gql h TYR 190 N 0.00 1.07 -0.32 2.20 0.05 -1.72 0.46 116.97 118.71 1gql h TYR 190 Ca 0.09 -0.12 -0.15 0.00 0.05 0.00 0.00 58.73 58.60 1gql h TYR 190 Cb 0.38 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1gql h TYR 190 CO 0.00 0.87 -0.40 1.15 -1.05 0.00 0.00 178.16 178.73 1gql h THR 191 N 0.98 1.29 -0.41 -2.88 2.02 -1.21 -2.26 112.91 110.44 1gql h THR 191 Ca 0.21 -1.58 -0.07 0.00 0.77 0.00 0.00 66.41 65.74 1gql h THR 191 Cb 0.34 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1gql h THR 191 CO -0.00 0.51 -0.05 0.44 0.37 0.00 0.00 175.52 176.79 1gql h ASP 192 N 0.63 0.66 -0.44 4.18 3.32 -0.98 0.57 116.42 124.35 1gql h ASP 192 Ca 0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1gql h ASP 192 Cb 0.96 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1gql h ASP 192 CO 0.09 0.77 0.26 0.22 -1.72 0.00 0.00 179.24 178.85 1gql h TYR 193 N 0.64 0.59 -0.66 4.55 3.20 -0.84 -0.27 116.97 124.17 1gql h TYR 193 Ca 0.12 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1gql h TYR 193 Cb 0.48 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1gql h TYR 193 CO 0.02 0.43 0.40 0.00 -1.64 0.00 0.00 178.16 177.37 1gql h ALA 194 N 1.11 0.85 -0.34 1.82 0.00 -0.83 -2.31 119.26 119.56 1gql h ALA 194 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gql h ALA 194 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1gql h ALA 194 CO -0.03 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.77 1gql h ARG 195 N 0.90 0.45 -0.30 0.00 3.08 -0.53 0.59 114.38 118.56 1gql h ARG 195 Ca 0.24 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1gql h ARG 195 Cb -0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1gql h ARG 195 CO -0.04 0.30 0.05 0.82 -1.07 0.00 0.00 179.97 180.03 1gql h ILE 196 N 0.46 0.85 -0.16 2.04 2.04 -0.89 -0.01 117.51 121.84 1gql h ILE 196 Ca 0.12 -0.06 -0.20 0.00 1.00 0.00 0.00 64.86 65.73 1gql h ILE 196 Cb -0.05 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1gql h ILE 196 CO -0.03 0.03 -0.67 0.78 0.00 0.00 0.00 178.15 178.26 1gql h ASN 197 N 0.16 0.86 0.02 1.72 2.35 -1.30 -3.03 115.58 116.37 1gql h ASN 197 Ca 0.14 -0.62 -0.03 0.00 -0.55 0.00 0.00 56.30 55.24 1gql h ASN 197 Cb 0.15 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1gql h ASN 197 CO -0.19 1.34 -0.07 0.00 -1.65 0.00 0.00 177.43 176.85 1gql h ALA 198 N 0.55 1.70 -0.02 -0.83 0.00 -0.74 -1.29 119.26 118.63 1gql h ALA 198 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gql h ALA 198 Cb 1.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1gql h ALA 198 CO 0.14 0.23 0.05 0.66 0.00 0.00 0.00 179.25 180.32 1gql h SER 199 N 0.14 0.00 -0.02 0.00 4.64 -0.86 -0.40 113.55 117.06 1gql h SER 199 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1gql h SER 199 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1gql h SER 199 CO 0.01 0.00 -0.27 0.18 -0.87 0.00 0.00 176.83 175.88 1gql n LEU 200 N -3.33 2.06 0.00 5.97 4.77 -0.72 -4.81 117.00 120.94 1gql n LEU 200 Ca -0.03 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1gql n LEU 200 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1gql n LEU 200 CO 0.22 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1gql n GLY 201 N 1.22 0.49 3.72 -0.72 0.00 -0.16 -4.51 105.19 105.24 1gql n GLY 201 Ca 0.09 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1gql n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gql s ILE 202 N -2.00 3.39 -0.11 -0.61 -1.09 -0.57 -4.85 121.20 115.35 1gql s ILE 202 Ca 0.00 1.01 0.10 0.00 -2.23 0.00 0.00 60.65 59.52 1gql s ILE 202 Cb 0.00 -3.64 0.17 0.00 -1.58 0.00 0.00 42.46 37.40 1gql s ILE 202 CO 0.00 0.08 1.10 -0.46 -1.23 0.00 0.00 174.94 174.43 1gql n ASN 203 N 3.84 2.30 -3.53 3.58 0.23 0.02 -4.23 115.26 117.47 1gql n ASN 203 Ca 0.11 -2.52 -0.17 0.00 -0.53 0.00 0.00 54.58 51.47 1gql n ASN 203 Cb 0.43 -0.22 -0.06 0.00 -2.08 0.00 0.00 39.78 37.85 1gql n ASN 203 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gql s GLY 204 N -1.85 -0.54 -0.01 4.83 0.00 -1.12 -1.39 107.32 107.23 1gql s GLY 204 Ca 0.17 1.41 -0.00 0.00 0.00 0.00 0.00 44.72 46.30 1gql s GLY 204 CO 0.03 0.98 0.02 -1.08 0.00 0.00 0.00 173.10 173.04 1gql s THR 205 N -1.16 -0.02 -0.32 0.90 -1.32 -0.76 -1.63 115.64 111.32 1gql s THR 205 Ca -0.10 0.09 -0.09 0.00 -1.21 0.00 0.00 61.69 60.38 1gql s THR 205 Cb -0.00 -0.05 0.01 0.00 -1.51 0.00 0.00 72.50 70.95 1gql s THR 205 CO 0.09 0.04 0.13 -0.69 -2.21 0.00 0.00 174.62 171.98 1gql s VAL 206 N 0.44 4.26 -0.67 5.08 1.01 0.02 -1.00 120.40 129.54 1gql s VAL 206 Ca -0.04 -0.72 0.24 0.00 0.00 0.00 0.00 61.98 61.47 1gql s VAL 206 Cb -0.05 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1gql s VAL 206 CO -0.01 -0.04 1.39 2.30 0.00 0.00 0.00 175.10 178.74 1gql n ILE 207 N 4.92 0.36 -4.27 2.22 -5.35 -1.18 -1.17 119.36 114.90 1gql n ILE 207 Ca -0.13 -0.26 -0.18 0.00 -0.27 0.00 0.00 62.75 61.91 1gql n ILE 207 Cb 0.47 -0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.10 1gql n ILE 207 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1gql s ASN 208 N -4.19 2.11 0.24 7.28 4.22 -1.19 -4.30 114.94 119.12 1gql s ASN 208 Ca 0.07 -0.88 -0.31 0.00 -2.14 0.00 0.00 52.86 49.60 1gql s ASN 208 Cb 0.13 -0.08 -0.13 0.00 1.28 0.00 0.00 41.25 42.46 1gql s ASN 208 CO 0.70 -0.17 1.45 -3.20 -2.04 0.00 0.00 177.10 173.85 1gql n ASN 209 N 0.26 2.95 -0.05 3.54 2.85 -0.23 -4.31 115.26 120.27 1gql n ASN 209 Ca -0.13 1.14 0.14 0.00 -0.11 0.00 0.00 54.58 55.62 1gql n ASN 209 Cb 0.58 -1.45 0.56 0.00 1.24 0.00 0.00 39.78 40.70 1gql n ASN 209 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 1gql h VAL 210 N 3.14 0.85 -0.92 3.44 -1.51 -1.91 -3.19 116.25 116.15 1gql h VAL 210 Ca -0.45 -0.10 -0.57 0.00 -1.23 0.00 0.00 66.70 64.35 1gql h VAL 210 Cb 1.27 0.54 -0.08 0.00 -2.13 0.00 0.00 31.29 30.88 1gql h VAL 210 CO 0.77 0.05 1.64 0.20 -1.23 0.00 0.00 177.57 179.01 1gql s ASN 211 N -6.24 6.35 0.18 4.19 0.01 -1.26 -4.33 114.94 113.84 1gql s ASN 211 Ca -0.07 -1.75 -0.21 0.00 -0.71 0.00 0.00 52.86 50.12 1gql s ASN 211 Cb 0.20 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.20 1gql s ASN 211 CO 0.74 -1.66 0.72 0.00 -1.51 0.00 0.00 177.10 175.39 1gql s ALA 212 N 5.79 3.45 -0.28 0.60 0.00 -1.20 -5.03 121.76 125.09 1gql s ALA 212 Ca 0.53 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1gql s ALA 212 Cb 0.01 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1gql s ALA 212 CO -0.00 0.33 0.22 0.34 0.00 0.00 0.00 175.76 176.65 1gql s ASP 213 N -1.43 6.07 0.62 0.00 -1.08 -1.26 -4.60 116.67 114.98 1gql s ASP 213 Ca 0.39 0.05 0.35 0.00 -0.52 0.00 0.00 52.55 52.82 1gql s ASP 213 Cb -0.19 -2.14 2.05 0.00 -1.46 0.00 0.00 42.92 41.18 1gql s ASP 213 CO 0.22 -0.07 2.30 -0.65 0.52 0.00 0.00 175.17 177.49 1gql h PRO 214 N 8.30 0.00 -0.12 4.34 0.11 -1.94 -2.83 132.00 139.86 1gql h PRO 214 Ca -0.34 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.80 1gql h PRO 214 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1gql h PRO 214 CO 0.57 0.00 0.15 0.00 -0.21 0.00 0.00 178.00 178.52 1gql h ARG 215 N 0.00 0.00 0.00 1.05 3.08 -1.99 -2.02 114.38 114.51 1gql h ARG 215 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gql h ARG 215 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1gql h ARG 215 CO 0.00 0.00 -0.00 -0.39 -1.07 0.00 0.00 179.97 178.51 1gql h VAL 216 N 0.00 0.48 -0.01 2.04 -1.51 -1.89 -1.16 116.25 114.20 1gql h VAL 216 Ca 0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 1gql h VAL 216 Cb 0.36 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1gql h VAL 216 CO -0.00 0.00 -0.08 0.18 -1.23 0.00 0.00 177.57 176.45 1gql n LEU 217 N -3.77 0.92 -4.80 4.19 4.77 -0.76 -3.92 117.00 113.62 1gql n LEU 217 Ca -0.03 -0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.37 1gql n LEU 217 Cb 0.08 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1gql n LEU 217 CO 0.27 0.16 0.72 -0.94 -1.33 0.00 0.00 177.39 176.26 1gql s SER 218 N -2.21 5.90 0.24 -1.43 1.04 -0.44 -4.82 113.70 111.97 1gql s SER 218 Ca 0.35 1.82 -0.05 0.00 0.48 0.00 0.00 55.95 58.55 1gql s SER 218 Cb 0.21 -2.54 0.41 0.00 0.10 0.00 0.00 66.02 64.20 1gql s SER 218 CO 0.41 -1.09 1.75 0.44 0.98 0.00 0.00 173.24 175.74 1gql h ASP 219 N 0.61 0.38 -0.25 7.02 3.32 -1.91 0.13 116.42 125.72 1gql h ASP 219 Ca -0.47 0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.73 1gql h ASP 219 Cb 1.22 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 1gql h ASP 219 CO 0.58 0.19 -0.26 -0.61 -1.72 0.00 0.00 179.24 177.42 1gql h GLN 220 N 0.53 -0.25 0.01 3.56 4.15 -1.92 -1.69 115.11 119.51 1gql h GLN 220 Ca 0.39 0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.62 1gql h GLN 220 Cb 0.51 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1gql h GLN 220 CO -0.34 -0.17 -0.95 0.74 -1.93 0.00 0.00 178.83 176.18 1gql h PHE 221 N -0.26 0.07 -0.31 3.99 0.04 -1.62 -3.08 116.94 115.78 1gql h PHE 221 Ca 0.14 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 1gql h PHE 221 Cb 0.47 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1gql h PHE 221 CO -0.41 0.97 0.04 -0.07 -0.60 0.00 0.00 178.31 178.24 1gql h LEU 222 N 0.02 0.41 -0.66 1.54 3.38 -0.47 0.11 115.31 119.65 1gql h LEU 222 Ca -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1gql h LEU 222 Cb 1.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1gql h LEU 222 CO 0.13 0.45 0.01 1.56 0.09 0.00 0.00 178.44 180.68 1gql h GLN 223 N 0.44 1.06 -0.30 1.13 4.20 -1.30 0.82 115.11 121.16 1gql h GLN 223 Ca 0.10 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 1gql h GLN 223 Cb 0.22 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1gql h GLN 223 CO 0.00 1.03 0.07 0.87 -0.67 0.00 0.00 178.83 180.13 1gql h LYS 224 N 0.97 0.48 -0.35 1.46 1.57 -1.25 -3.14 116.57 116.32 1gql h LYS 224 Ca 0.18 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1gql h LYS 224 Cb 0.54 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1gql h LYS 224 CO 0.03 0.56 -0.06 0.82 -0.57 0.00 0.00 179.45 180.23 1gql h ILE 225 N 0.32 1.22 -0.50 1.86 2.04 -0.63 -2.34 117.51 119.48 1gql h ILE 225 Ca 0.09 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1gql h ILE 225 Cb 0.30 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1gql h ILE 225 CO 0.00 0.32 0.33 0.00 0.00 0.00 0.00 178.15 178.80 1gql h ALA 226 N 1.40 1.66 -0.62 1.87 0.00 -0.82 0.66 119.26 123.42 1gql h ALA 226 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1gql h ALA 226 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1gql h ALA 226 CO 0.02 0.31 0.09 0.00 0.00 0.00 0.00 179.25 179.67 1gql h ALA 227 N 1.69 0.82 -0.29 0.00 0.00 -1.37 -0.23 119.26 119.88 1gql h ALA 227 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gql h ALA 227 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1gql h ALA 227 CO -0.04 0.59 0.07 -0.07 0.00 0.00 0.00 179.25 179.79 1gql h LEU 228 N 0.94 0.45 -0.93 0.00 3.38 -1.26 -2.13 115.31 115.76 1gql h LEU 228 Ca 0.19 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1gql h LEU 228 Cb 0.45 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1gql h LEU 228 CO 0.01 0.57 0.59 0.00 0.09 0.00 0.00 178.44 179.71 1gql h ALA 229 N 0.89 1.29 -0.75 1.53 0.00 -0.64 -0.95 119.26 120.63 1gql h ALA 229 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gql h ALA 229 Cb 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gql h ALA 229 CO 0.00 0.36 0.46 -0.44 0.00 0.00 0.00 179.25 179.63 1gql h ASP 230 N 1.07 0.90 -0.11 0.00 3.32 -0.85 -0.06 116.42 120.69 1gql h ASP 230 Ca 0.41 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 1gql h ASP 230 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1gql h ASP 230 CO -0.18 0.69 -0.23 0.00 -1.72 0.00 0.00 179.24 177.80 1gql h ALA 231 N 1.25 1.06 0.00 3.45 0.00 -0.65 -3.24 119.26 121.13 1gql h ALA 231 Ca 0.27 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1gql h ALA 231 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1gql h ALA 231 CO -0.05 0.57 -0.93 0.74 0.00 0.00 0.00 179.25 179.58 1gql h PHE 232 N 0.48 0.00 -0.52 0.00 0.04 -0.86 -3.39 116.94 112.69 1gql h PHE 232 Ca 0.07 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.93 1gql h PHE 232 Cb 0.67 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.75 1gql h PHE 232 CO 0.02 0.86 0.12 -0.09 -0.60 0.00 0.00 178.31 178.62 1gql h ARG 233 N 0.00 0.25 0.00 1.51 2.43 -1.04 -1.18 114.38 116.36 1gql h ARG 233 Ca -0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1gql h ARG 233 Cb 1.68 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.17 1gql h ARG 233 CO 0.11 0.17 -0.00 -1.00 -1.51 0.00 0.00 179.97 177.74 1gql h PRO 234 N 0.26 0.00 -0.24 0.20 0.13 -1.76 -1.60 132.00 128.99 1gql h PRO 234 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1gql h PRO 234 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1gql h PRO 234 CO -0.33 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.10 1gql n TYR 235 N -3.08 0.31 -1.00 1.56 4.01 -0.46 -4.13 117.16 114.37 1gql n TYR 235 Ca -0.02 -0.15 -0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1gql n TYR 235 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1gql n TYR 235 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gql n GLY 236 N 1.19 0.46 3.52 2.72 0.00 -0.60 -4.71 105.19 107.78 1gql n GLY 236 Ca 0.16 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1gql n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gql s ILE 237 N -2.00 5.16 0.44 -0.61 1.01 -1.15 -4.60 121.20 119.46 1gql s ILE 237 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1gql s ILE 237 Cb 0.00 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 1gql s ILE 237 CO 0.00 0.04 0.87 -0.54 0.00 0.00 0.00 174.94 175.31 1gql s LYS 238 N 1.71 3.91 -0.04 2.79 1.02 -0.49 -4.07 119.74 124.57 1gql s LYS 238 Ca 0.06 0.74 -0.15 0.00 0.02 0.00 0.00 55.97 56.65 1gql s LYS 238 Cb -0.17 -2.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 1gql s LYS 238 CO 0.10 -0.11 0.39 1.41 -0.92 0.00 0.00 175.35 176.21 1gql s MET 239 N -3.79 3.98 0.09 1.68 -2.45 -1.26 -1.83 119.30 115.71 1gql s MET 239 Ca 0.56 0.34 0.02 0.00 -1.25 0.00 0.00 55.69 55.36 1gql s MET 239 Cb -0.10 -3.27 -0.04 0.00 1.25 0.00 0.00 34.83 32.67 1gql s MET 239 CO 0.28 0.58 -0.08 0.71 1.05 0.00 0.00 175.02 177.56 1gql s TYR 240 N -0.67 0.88 -0.00 4.11 1.51 -0.17 -0.29 117.35 122.71 1gql s TYR 240 Ca 0.23 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1gql s TYR 240 Cb -0.16 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1gql s TYR 240 CO 0.11 -0.09 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.84 1gql s LEU 241 N -2.56 2.04 0.22 -1.29 1.43 -0.86 -3.09 118.68 114.57 1gql s LEU 241 Ca 0.05 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1gql s LEU 241 Cb -0.00 -0.52 -0.08 0.00 0.03 0.00 0.00 46.19 45.62 1gql s LEU 241 CO -0.02 0.11 1.12 -0.44 0.23 0.00 0.00 176.35 177.34 1gql s SER 242 N -0.34 7.24 0.15 2.29 0.01 -1.26 -0.91 113.70 120.88 1gql s SER 242 Ca 0.03 2.18 0.09 0.00 1.31 0.00 0.00 55.95 59.57 1gql s SER 242 Cb -0.04 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1gql s SER 242 CO -0.00 -0.21 -0.17 0.27 0.41 0.00 0.00 173.24 173.53 1gql s ILE 243 N -0.57 2.84 -0.23 1.44 -5.25 -0.49 -4.76 121.20 114.18 1gql s ILE 243 Ca 0.48 -1.66 -0.13 0.00 -0.99 0.00 0.00 60.65 58.35 1gql s ILE 243 Cb -0.31 -2.34 -0.04 0.00 2.95 0.00 0.00 42.46 42.71 1gql s ILE 243 CO 0.38 -0.00 0.26 0.21 -1.79 0.00 0.00 174.94 173.99 1gql s ASN 244 N -2.45 6.23 0.48 4.36 2.47 -1.26 -4.52 114.94 120.25 1gql s ASN 244 Ca 0.20 0.25 0.20 0.00 0.42 0.00 0.00 52.86 53.93 1gql s ASN 244 Cb -0.09 -2.16 1.21 0.00 -1.45 0.00 0.00 41.25 38.76 1gql s ASN 244 CO 0.11 -0.02 2.04 0.15 -3.72 0.00 0.00 177.10 175.67 1gql h PHE 245 N 7.62 0.00 -0.10 0.43 3.57 -1.88 -1.67 116.94 124.92 1gql h PHE 245 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1gql h PHE 245 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1gql h PHE 245 CO 0.69 0.15 0.00 0.09 -2.23 0.00 0.00 178.31 177.01 1gql n ASN 246 N -4.08 0.61 -0.31 0.41 3.02 -1.26 -4.53 115.26 109.12 1gql n ASN 246 Ca -0.02 -2.01 0.15 0.00 -0.03 0.00 0.00 54.58 52.67 1gql n ASN 246 Cb 0.23 -0.10 0.33 0.00 -0.61 0.00 0.00 39.78 39.63 1gql n ASN 246 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1gql h SER 247 N 0.59 0.34 -0.72 6.41 0.02 -1.72 -0.02 113.55 118.45 1gql h SER 247 Ca 0.00 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 1gql h SER 247 Cb 0.17 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1gql h SER 247 CO 0.00 -0.03 0.48 -0.65 -1.14 0.00 0.00 176.83 175.49 1gql h PRO 248 N 0.39 0.55 0.07 3.45 0.11 -1.87 -1.48 132.00 133.21 1gql h PRO 248 Ca 0.59 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.52 1gql h PRO 248 Cb 1.15 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1gql h PRO 248 CO -0.55 0.37 -0.60 0.00 -0.21 0.00 0.00 178.00 177.00 1gql h ARG 249 N 0.57 0.29 -0.63 1.05 3.08 -1.12 -1.87 114.38 115.76 1gql h ARG 249 Ca 0.34 -0.40 0.08 0.00 0.07 0.00 0.00 59.98 60.06 1gql h ARG 249 Cb 0.54 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1gql h ARG 249 CO -0.12 1.14 0.42 0.00 -1.07 0.00 0.00 179.97 180.34 1gql h ALA 250 N 0.18 1.89 0.00 0.04 0.00 -0.66 -0.10 119.26 120.61 1gql h ALA 250 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1gql h ALA 250 Cb 1.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1gql h ALA 250 CO 0.12 -0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.54 1gql n PHE 251 N -4.48 0.00 -1.41 0.00 3.01 -0.61 -4.91 117.46 109.07 1gql n PHE 251 Ca 0.10 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.47 1gql n PHE 251 Cb 0.31 -0.31 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1gql n PHE 251 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gql n GLY 252 N 1.27 0.88 0.10 1.37 0.00 -0.05 -4.92 105.19 103.84 1gql n GLY 252 Ca 0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1gql n GLY 252 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gql n ASP 253 N 0.54 0.68 -3.99 1.61 8.00 -0.76 -4.96 116.55 117.67 1gql n ASP 253 Ca -0.09 0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 1gql n ASP 253 Cb 0.34 0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 41.59 1gql n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gql s VAL 254 N -2.55 0.40 -2.08 2.53 1.01 -0.85 -5.03 120.40 113.83 1gql s VAL 254 Ca -0.10 -0.55 0.13 0.00 0.00 0.00 0.00 61.98 61.46 1gql s VAL 254 Cb 0.07 -0.40 0.33 0.00 0.00 0.00 0.00 36.38 36.38 1gql s VAL 254 CO 0.81 -0.11 1.37 -0.90 0.00 0.00 0.00 175.10 176.27 1gql n ASP 255 N 2.35 1.15 -3.92 3.32 5.68 -1.26 -3.61 116.55 120.27 1gql n ASP 255 Ca -0.17 -1.82 -0.10 0.00 -0.50 0.00 0.00 54.79 52.21 1gql n ASP 255 Cb 0.57 -0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 1gql n ASP 255 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1gql s THR 256 N -1.77 0.05 -0.02 2.12 -1.32 -1.26 -5.04 115.64 108.40 1gql s THR 256 Ca 0.22 -1.27 0.02 0.00 -1.21 0.00 0.00 61.69 59.46 1gql s THR 256 Cb 0.12 -1.80 0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1gql s THR 256 CO 0.17 -0.25 1.02 0.00 -2.21 0.00 0.00 174.62 173.35 1gql n ALA 257 N -0.25 2.03 -1.68 11.08 0.00 -1.26 -4.43 120.51 126.01 1gql n ALA 257 Ca -0.08 -1.16 -0.52 0.00 0.00 0.00 0.00 53.44 51.68 1gql n ALA 257 Cb 0.63 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1gql n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gql n ASP 258 N -0.58 3.02 0.15 0.00 -0.08 -1.26 -4.85 116.55 112.94 1gql n ASP 258 Ca 0.02 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.38 1gql n ASP 258 Cb 0.29 -1.29 0.53 0.00 2.34 0.00 0.00 41.12 43.00 1gql n ASP 258 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1gql n PRO 259 N 6.37 0.18 0.00 -0.67 -0.04 -1.26 -1.27 135.00 138.31 1gql n PRO 259 Ca 0.25 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 1gql n PRO 259 Cb 0.24 -1.91 0.39 0.00 -0.04 0.00 0.00 33.50 32.17 1gql n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gql n LEU 260 N -2.26 1.02 -4.66 1.53 4.77 -1.26 -4.60 117.00 111.53 1gql n LEU 260 Ca 0.01 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.30 1gql n LEU 260 Cb 0.16 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1gql n LEU 260 CO 0.16 0.19 0.99 -0.62 -1.33 0.00 0.00 177.39 176.78 1gql s ASP 261 N -2.49 7.03 0.45 -1.43 -1.08 -0.40 -4.94 116.67 113.81 1gql s ASP 261 Ca 0.25 1.58 0.20 0.00 -0.52 0.00 0.00 52.55 54.06 1gql s ASP 261 Cb 0.19 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 1gql s ASP 261 CO 0.51 -0.69 1.88 1.55 0.52 0.00 0.00 175.17 178.94 1gql h PRO 262 N 7.78 0.30 -0.39 4.34 0.13 -1.88 -1.09 132.00 141.19 1gql h PRO 262 Ca -0.25 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1gql h PRO 262 Cb 1.10 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1gql h PRO 262 CO 0.96 0.20 -0.10 0.00 -0.23 0.00 0.00 178.00 178.83 1gql h ARG 263 N 0.30 0.68 -0.18 0.86 3.08 -1.94 0.04 114.38 117.22 1gql h ARG 263 Ca 0.44 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1gql h ARG 263 Cb 1.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 1gql h ARG 263 CO -0.13 0.76 -0.14 0.28 -1.07 0.00 0.00 179.97 179.67 1gql h VAL 264 N 0.62 1.33 -0.74 2.04 2.07 -1.51 0.02 116.25 120.07 1gql h VAL 264 Ca 0.11 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.43 1gql h VAL 264 Cb 0.53 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1gql h VAL 264 CO 0.03 0.38 0.44 1.56 0.02 0.00 0.00 177.57 180.00 1gql h GLN 265 N 0.08 0.78 -0.41 1.57 4.20 -1.14 -2.15 115.11 118.04 1gql h GLN 265 Ca 0.03 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1gql h GLN 265 Cb 0.66 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1gql h GLN 265 CO 0.04 0.52 -0.27 0.37 -0.67 0.00 0.00 178.83 178.81 1gql h GLN 266 N 0.81 0.86 -0.38 1.46 5.75 -0.88 -2.49 115.11 120.23 1gql h GLN 266 Ca 0.33 -0.38 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1gql h GLN 266 Cb 0.17 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1gql h GLN 266 CO -0.17 1.03 0.13 2.35 -2.65 0.00 0.00 178.83 179.52 1gql h TRP 267 N 0.74 0.23 -0.23 3.99 7.01 -0.40 -0.08 115.95 127.22 1gql h TRP 267 Ca 0.09 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.00 1gql h TRP 267 Cb 0.82 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 1gql h TRP 267 CO 0.05 0.09 -0.33 -1.49 -2.79 0.00 0.00 178.44 173.96 1gql h TRP 268 N 0.29 0.55 -0.24 2.65 4.06 -1.33 -0.25 115.95 121.67 1gql h TRP 268 Ca 0.18 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.97 1gql h TRP 268 Cb 0.16 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1gql h TRP 268 CO -0.15 0.75 0.07 -0.22 -3.56 0.00 0.00 178.44 175.34 1gql h LYS 269 N 0.41 0.37 -0.84 0.49 3.64 -0.94 0.96 116.57 120.66 1gql h LYS 269 Ca 0.05 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1gql h LYS 269 Cb 0.78 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1gql h LYS 269 CO 0.06 0.45 0.38 1.15 -2.27 0.00 0.00 179.45 179.23 1gql h THR 270 N 0.22 1.26 -0.50 1.00 2.02 -0.86 -1.86 112.91 114.20 1gql h THR 270 Ca 0.08 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 1gql h THR 270 Cb 0.24 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1gql h THR 270 CO -0.00 0.32 -0.10 -0.09 0.37 0.00 0.00 175.52 176.02 1gql h ARG 271 N 1.20 0.91 -0.64 6.66 9.65 -0.81 -1.32 114.38 130.04 1gql h ARG 271 Ca 0.29 -0.31 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1gql h ARG 271 Cb 0.15 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1gql h ARG 271 CO -0.03 0.96 0.27 0.00 2.80 0.00 0.00 179.97 183.97 1gql h ALA 272 N 1.07 0.82 -0.81 2.80 0.00 -0.61 0.52 119.26 123.05 1gql h ALA 272 Ca 0.13 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1gql h ALA 272 Cb 0.62 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1gql h ALA 272 CO 0.04 0.42 0.49 1.96 0.00 0.00 0.00 179.25 182.17 1gql h GLN 273 N 0.89 0.89 -0.26 0.00 4.20 -0.96 -0.89 115.11 118.97 1gql h GLN 273 Ca 0.21 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1gql h GLN 273 Cb 0.18 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1gql h GLN 273 CO -0.02 0.59 0.08 -0.22 -0.67 0.00 0.00 178.83 178.59 1gql h LYS 274 N 0.91 0.41 -0.25 1.46 3.64 -0.69 -1.71 116.57 120.35 1gql h LYS 274 Ca 0.35 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1gql h LYS 274 Cb 0.15 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1gql h LYS 274 CO -0.16 0.48 0.03 0.82 -2.27 0.00 0.00 179.45 178.35 1gql h ILE 275 N 0.26 0.86 0.00 2.00 2.04 -0.34 -2.64 117.51 119.68 1gql h ILE 275 Ca 0.08 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1gql h ILE 275 Cb 0.24 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1gql h ILE 275 CO -0.00 0.02 -0.06 1.88 0.00 0.00 0.00 178.15 179.99 1gql h TYR 276 N 0.12 0.00 -0.26 1.37 0.05 -1.04 0.10 116.97 117.31 1gql h TYR 276 Ca 0.12 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1gql h TYR 276 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1gql h TYR 276 CO -0.17 0.06 -0.18 0.66 -1.05 0.00 0.00 178.16 177.48 1gql h SER 277 N 0.00 0.44 0.48 3.88 4.64 -0.94 -2.96 113.55 119.10 1gql h SER 277 Ca -0.00 -0.12 -0.30 0.00 -0.47 0.00 0.00 61.79 60.90 1gql h SER 277 Cb 0.61 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1gql h SER 277 CO 0.01 0.64 -1.64 1.88 -0.87 0.00 0.00 176.83 176.85 1gql h TYR 278 N 0.41 0.17 -2.60 4.77 0.05 -1.22 -3.44 116.97 115.11 1gql h TYR 278 Ca 0.07 -0.12 -0.59 0.00 0.05 0.00 0.00 58.73 58.14 1gql h TYR 278 Cb 0.55 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 37.89 1gql h TYR 278 CO 0.02 1.20 -0.86 0.42 -1.05 0.00 0.00 178.16 177.89 1gql s ILE 279 N -2.61 0.74 -0.18 -2.88 1.01 0.28 -4.86 121.20 112.69 1gql s ILE 279 Ca -0.08 -2.57 0.27 0.00 0.00 0.00 0.00 60.65 58.27 1gql s ILE 279 Cb 0.08 -1.52 0.28 0.00 0.01 0.00 0.00 42.46 41.31 1gql s ILE 279 CO 0.82 -1.09 1.80 -0.65 0.00 0.00 0.00 174.94 175.82 1gql h PRO 280 N 6.14 0.00 -0.18 2.79 0.11 -1.77 -2.13 132.00 136.96 1gql h PRO 280 Ca 0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 1gql h PRO 280 Cb 0.91 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1gql h PRO 280 CO 0.40 0.00 -0.10 -0.40 -0.21 0.00 0.00 178.00 177.69 1gql n ASP 281 N -2.45 2.73 -4.62 -2.05 5.75 -1.26 -5.00 116.55 109.66 1gql n ASP 281 Ca 0.00 -3.40 -0.47 0.00 -0.01 0.00 0.00 54.79 50.91 1gql n ASP 281 Cb 0.15 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 39.67 1gql n ASP 281 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1gql n PHE 282 N -1.03 1.70 -0.04 2.11 7.35 -0.80 -4.64 117.46 122.11 1gql n PHE 282 Ca 0.23 0.56 -0.15 0.00 -0.76 0.00 0.00 57.45 57.33 1gql n PHE 282 Cb 0.84 -2.37 -0.07 0.00 0.35 0.00 0.00 39.48 38.23 1gql n PHE 282 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1gql h GLY 283 N 3.85 0.66 0.00 7.13 0.00 -0.98 -3.42 103.07 110.31 1gql h GLY 283 Ca -0.44 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1gql h GLY 283 CO 0.73 0.77 0.00 0.61 0.00 0.00 0.00 176.54 178.65 1gql n GLY 284 N 0.57 0.90 3.43 4.60 0.00 -1.24 -1.56 105.19 111.89 1gql n GLY 284 Ca -0.07 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 1gql n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gql s PHE 285 N -3.08 2.49 -0.12 1.61 0.08 -0.60 -2.03 117.98 116.34 1gql s PHE 285 Ca 0.00 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 1gql s PHE 285 Cb 0.00 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1gql s PHE 285 CO 0.00 0.22 0.05 -1.17 -0.10 0.00 0.00 175.22 174.22 1gql s LEU 286 N -1.41 3.80 -0.13 -0.37 2.96 -0.08 0.21 118.68 123.66 1gql s LEU 286 Ca 0.14 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1gql s LEU 286 Cb -0.10 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.71 1gql s LEU 286 CO 0.04 0.32 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.66 1gql s VAL 287 N -0.49 0.85 -0.38 1.68 1.01 -0.07 -1.39 120.40 121.61 1gql s VAL 287 Ca 0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1gql s VAL 287 Cb -0.12 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1gql s VAL 287 CO 0.02 0.19 0.23 -0.75 0.00 0.00 0.00 175.10 174.80 1gql s LYS 288 N 1.76 2.90 0.02 2.72 2.20 -1.26 -1.02 119.74 127.06 1gql s LYS 288 Ca 0.03 -1.04 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1gql s LYS 288 Cb -0.14 -3.80 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1gql s LYS 288 CO -0.07 -0.70 -0.09 0.00 -0.36 0.00 0.00 175.35 174.13 1gql s ALA 289 N 1.60 0.70 -1.45 3.13 0.00 -1.26 -4.72 121.76 119.75 1gql s ALA 289 Ca 0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1gql s ALA 289 Cb -0.19 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1gql s ALA 289 CO 0.08 0.10 0.74 -0.25 0.00 0.00 0.00 175.76 176.43 1gql n ASP 290 N 2.20 -2.43 -3.70 0.00 8.00 -0.63 -4.89 116.55 115.10 1gql n ASP 290 Ca -0.17 -0.87 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 1gql n ASP 290 Cb 0.56 -3.63 -0.12 0.00 -0.02 0.00 0.00 41.12 37.91 1gql n ASP 290 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1gql s SER 291 N -3.89 -0.33 -1.44 -2.24 0.15 -1.20 -4.58 113.70 100.16 1gql s SER 291 Ca 0.31 0.75 -0.09 0.00 0.70 0.00 0.00 55.95 57.62 1gql s SER 291 Cb -0.16 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1gql s SER 291 CO 0.85 -0.19 0.71 -0.62 1.20 0.00 0.00 173.24 175.19 1gql n GLU 292 N 4.45 -4.79 -0.68 5.44 1.02 -1.26 -1.11 120.64 123.71 1gql n GLU 292 Ca -0.21 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1gql n GLU 292 Cb 0.53 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 1gql n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gql n GLY 293 N -1.49 1.18 3.74 0.62 0.00 -1.26 -5.04 105.19 102.95 1gql n GLY 293 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1gql n GLY 293 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gql s GLN 294 N -0.18 4.67 0.85 1.61 -1.52 -0.27 -5.01 119.66 119.81 1gql s GLN 294 Ca 0.00 1.65 -0.11 0.00 -1.95 0.00 0.00 55.36 54.96 1gql s GLN 294 Cb 0.00 -3.28 0.10 0.00 -0.22 0.00 0.00 33.01 29.62 1gql s GLN 294 CO 0.00 0.20 1.11 -1.25 -0.25 0.00 0.00 175.29 175.10 1gql s PRO 295 N -0.66 1.60 0.03 2.91 0.04 -1.26 -1.60 135.00 136.05 1gql s PRO 295 Ca 0.47 1.26 -0.27 0.00 0.04 0.00 0.00 61.00 62.49 1gql s PRO 295 Cb -0.28 -1.82 0.09 0.00 0.04 0.00 0.00 34.50 32.53 1gql s PRO 295 CO 0.35 -2.13 1.23 0.20 0.04 0.00 0.00 177.00 176.68 1gql s GLY 296 N -3.11 -0.08 0.39 0.56 0.00 -1.26 -2.74 107.32 101.08 1gql s GLY 296 Ca 0.64 -0.02 0.09 0.00 0.00 0.00 0.00 44.72 45.42 1gql s GLY 296 CO 0.57 4.68 1.98 -0.56 0.00 0.00 0.00 173.10 179.77 1gql h PRO 297 N 2.00 0.59 0.00 2.90 0.13 -1.87 -2.06 132.00 133.69 1gql h PRO 297 Ca -0.24 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1gql h PRO 297 Cb 1.19 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1gql h PRO 297 CO 0.32 0.39 -0.07 1.96 -0.23 0.00 0.00 178.00 180.37 1gql h GLN 298 N 0.61 0.00 0.00 0.86 4.20 -1.78 0.52 115.11 119.51 1gql h GLN 298 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1gql h GLN 298 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1gql h GLN 298 CO -0.09 0.07 0.00 0.78 -0.67 0.00 0.00 178.83 178.93 1gql h GLY 299 N 0.39 0.00 -0.96 3.46 0.00 -1.66 -1.77 103.07 102.53 1gql h GLY 299 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gql h GLY 299 CO 0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 1gql n TYR 300 N -2.84 0.48 -1.83 5.60 4.01 0.05 -4.98 117.16 117.65 1gql n TYR 300 Ca -0.02 -0.73 -0.14 0.00 -0.16 0.00 0.00 57.90 56.85 1gql n TYR 300 Cb 0.08 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 1gql n TYR 300 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gql n GLY 301 N -0.38 0.66 3.83 2.72 0.00 -0.67 -5.00 105.19 106.35 1gql n GLY 301 Ca 0.14 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1gql n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gql s ARG 302 N -3.93 2.57 0.48 1.61 1.81 -0.46 -4.96 118.95 116.07 1gql s ARG 302 Ca 0.00 -1.44 0.07 0.00 -1.72 0.00 0.00 55.73 52.63 1gql s ARG 302 Cb 0.00 -2.36 0.03 0.00 -0.45 0.00 0.00 34.95 32.17 1gql s ARG 302 CO 0.00 0.00 0.66 0.16 -0.68 0.00 0.00 175.30 175.44 1gql s ASP 303 N -4.00 5.46 0.41 0.23 1.47 -1.26 -2.46 116.67 116.52 1gql s ASP 303 Ca 0.42 -0.39 0.13 0.00 1.18 0.00 0.00 52.55 53.89 1gql s ASP 303 Cb -0.04 -0.56 0.86 0.00 -0.34 0.00 0.00 42.92 42.84 1gql s ASP 303 CO 0.26 -0.95 1.92 0.45 0.68 0.00 0.00 175.17 177.53 1gql h HIS 304 N 0.42 0.06 -0.25 2.11 3.86 -1.95 -1.97 115.15 117.43 1gql h HIS 304 Ca -0.39 -0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 58.62 1gql h HIS 304 Cb 1.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1gql h HIS 304 CO 0.38 0.29 -0.60 0.00 0.86 0.00 0.00 177.93 178.85 1gql h ALA 305 N 1.72 0.46 -0.85 2.45 0.00 -1.95 -0.39 119.26 120.70 1gql h ALA 305 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1gql h ALA 305 Cb 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1gql h ALA 305 CO 0.03 0.68 0.54 0.93 0.00 0.00 0.00 179.25 181.44 1gql h GLU 306 N 0.62 1.02 -0.15 0.00 5.08 -1.79 0.90 114.58 120.26 1gql h GLU 306 Ca -0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1gql h GLU 306 Cb 1.21 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1gql h GLU 306 CO 0.13 0.68 -0.26 0.78 -1.00 0.00 0.00 179.01 179.34 1gql h GLY 307 N 1.05 0.49 0.97 -3.84 0.00 -1.26 -2.60 103.07 97.89 1gql h GLY 307 Ca 0.34 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1gql h GLY 307 CO -0.12 0.50 0.20 0.00 0.00 0.00 0.00 176.54 177.12 1gql h ALA 308 N 0.57 0.67 -0.03 3.60 0.00 -0.89 -2.77 119.26 120.41 1gql h ALA 308 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1gql h ALA 308 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1gql h ALA 308 CO 0.06 0.29 -0.38 -0.91 0.00 0.00 0.00 179.25 178.31 1gql h ASN 309 N 0.70 0.06 -0.10 0.00 2.35 -0.89 0.10 115.58 117.79 1gql h ASN 309 Ca 0.17 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1gql h ASN 309 Cb 0.21 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1gql h ASN 309 CO -0.01 0.43 0.04 -0.03 -1.65 0.00 0.00 177.43 176.21 1gql h MET 310 N 0.05 0.16 -0.62 0.81 4.05 -1.22 0.41 114.93 118.57 1gql h MET 310 Ca 0.00 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1gql h MET 310 Cb 0.69 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 1gql h MET 310 CO 0.05 0.30 0.27 -0.07 0.23 0.00 0.00 176.91 177.69 1gql h LEU 311 N -0.01 0.84 -1.25 3.39 3.38 -1.22 -2.83 115.31 117.60 1gql h LEU 311 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1gql h LEU 311 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1gql h LEU 311 CO -0.00 0.76 0.09 0.00 0.09 0.00 0.00 178.44 179.38 1gql h ALA 312 N 1.11 1.40 -0.11 1.53 0.00 -0.61 -2.13 119.26 120.46 1gql h ALA 312 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1gql h ALA 312 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gql h ALA 312 CO -0.02 0.43 -0.37 0.00 0.00 0.00 0.00 179.25 179.29 1gql h ALA 313 N 1.51 1.18 -0.60 0.00 0.00 -0.70 0.09 119.26 120.74 1gql h ALA 313 Ca 0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1gql h ALA 313 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gql h ALA 313 CO -0.00 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.88 1gql h ALA 314 N 1.43 1.00 0.00 0.00 0.00 -1.17 -3.25 119.26 117.27 1gql h ALA 314 Ca 0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1gql h ALA 314 Cb 0.74 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1gql h ALA 314 CO 0.06 0.63 -0.76 -0.07 0.00 0.00 0.00 179.25 179.11 1gql h LEU 315 N 0.93 0.00 -0.67 0.00 3.38 -0.92 -3.40 115.31 114.63 1gql h LEU 315 Ca 0.18 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1gql h LEU 315 Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 1gql h LEU 315 CO 0.01 0.57 0.24 0.50 0.09 0.00 0.00 178.44 179.85 1gql h LYS 316 N 0.00 0.38 0.00 1.13 1.63 -1.02 -1.29 116.57 117.40 1gql h LYS 316 Ca -0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1gql h LYS 316 Cb 1.47 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1gql h LYS 316 CO 0.07 0.25 0.00 -1.35 -3.45 0.00 0.00 179.45 174.97 1gql h PRO 317 N 0.39 0.00 -0.09 1.90 0.11 -1.78 -2.18 132.00 130.36 1gql h PRO 317 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1gql h PRO 317 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1gql h PRO 317 CO -0.37 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.61 1gql n PHE 318 N -2.87 0.09 -1.00 0.65 3.72 -0.55 -4.98 117.46 112.52 1gql n PHE 318 Ca -0.01 -0.07 -0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1gql n PHE 318 Cb 0.15 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.68 1gql n PHE 318 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gql n GLY 319 N 0.86 0.41 3.87 1.37 0.00 -0.82 -4.92 105.19 105.96 1gql n GLY 319 Ca 0.10 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 1gql n GLY 319 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gql s GLY 320 N -2.85 1.82 0.15 -0.02 0.00 -0.81 -4.97 107.32 100.63 1gql s GLY 320 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 44.72 44.62 1gql s GLY 320 CO 0.00 0.03 -0.17 0.14 0.00 0.00 0.00 173.10 173.10 1gql s VAL 321 N -2.64 1.67 -0.23 1.40 1.01 -0.60 -4.38 120.40 116.64 1gql s VAL 321 Ca 0.52 -1.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 1gql s VAL 321 Cb -0.10 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1gql s VAL 321 CO 0.38 -0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.47 1gql s VAL 322 N -2.03 3.86 -0.62 2.92 1.01 -0.13 -1.56 120.40 123.85 1gql s VAL 322 Ca 0.13 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1gql s VAL 322 Cb -0.06 -2.77 0.12 0.00 0.00 0.00 0.00 36.38 33.67 1gql s VAL 322 CO 0.05 0.39 0.70 -0.36 0.00 0.00 0.00 175.10 175.89 1gql s PHE 323 N 1.42 3.09 -0.32 5.22 0.08 0.13 -0.49 117.98 127.11 1gql s PHE 323 Ca 0.05 -1.10 -0.17 0.00 0.12 0.00 0.00 56.93 55.82 1gql s PHE 323 Cb -0.15 -3.99 -0.01 0.00 -0.57 0.00 0.00 43.02 38.30 1gql s PHE 323 CO 0.01 -1.25 0.47 -0.46 -0.10 0.00 0.00 175.22 173.89 1gql s TRP 324 N 2.36 3.21 0.25 0.36 -0.11 0.35 -0.89 118.94 124.48 1gql s TRP 324 Ca 0.12 0.25 -0.30 0.00 1.22 0.00 0.00 56.10 57.40 1gql s TRP 324 Cb -0.23 -2.80 -0.09 0.00 -1.50 0.00 0.00 33.47 28.85 1gql s TRP 324 CO 0.04 -0.44 1.05 1.03 -4.62 0.00 0.00 176.95 174.02 1gql s ARG 325 N 2.27 4.70 0.00 5.86 0.52 -0.19 -0.47 118.95 131.64 1gql s ARG 325 Ca 0.17 1.70 0.19 0.00 -0.52 0.00 0.00 55.73 57.27 1gql s ARG 325 Cb -0.16 -3.23 0.59 0.00 0.52 0.00 0.00 34.95 32.68 1gql s ARG 325 CO 0.12 0.28 1.45 0.00 0.02 0.00 0.00 175.30 177.17 1gql n ALA 326 N 1.43 2.48 -2.45 2.13 0.00 -0.04 -4.77 120.51 119.30 1gql n ALA 326 Ca -0.01 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 1gql n ALA 326 Cb 0.46 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1gql n ALA 326 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1gql s PHE 327 N -1.65 2.56 0.00 0.00 5.36 -1.26 -4.70 117.98 118.29 1gql s PHE 327 Ca 0.32 -1.07 0.01 0.00 -0.96 0.00 0.00 56.93 55.22 1gql s PHE 327 Cb 0.17 -4.56 -0.00 0.00 -0.34 0.00 0.00 43.02 38.28 1gql s PHE 327 CO 0.25 -1.66 -0.02 0.14 -1.46 0.00 0.00 175.22 172.47 1gql s VAL 328 N 6.00 0.16 -0.30 3.12 -7.23 -1.26 -4.76 120.40 116.13 1gql s VAL 328 Ca 0.58 -0.23 -0.13 0.00 -1.81 0.00 0.00 61.98 60.39 1gql s VAL 328 Cb 0.03 -0.17 0.17 0.00 0.56 0.00 0.00 36.38 36.97 1gql s VAL 328 CO 0.09 -0.05 0.93 -0.72 -0.31 0.00 0.00 175.10 175.04 1gql s TYR 329 N -0.28 -0.80 0.32 2.82 1.13 -1.26 -3.71 117.35 115.56 1gql s TYR 329 Ca -0.02 1.23 -0.23 0.00 -1.41 0.00 0.00 57.07 56.65 1gql s TYR 329 Cb -0.02 0.42 -0.10 0.00 -1.10 0.00 0.00 41.96 41.16 1gql s TYR 329 CO -0.00 -0.41 0.88 -1.01 -2.51 0.00 0.00 175.55 172.50 1gql s HIS 330 N 2.62 3.60 -0.53 -3.49 3.76 -1.26 -4.83 115.29 115.16 1gql s HIS 330 Ca -0.00 1.63 0.25 0.00 -0.15 0.00 0.00 55.06 56.78 1gql s HIS 330 Cb -0.08 -2.82 0.93 0.00 1.11 0.00 0.00 32.58 31.72 1gql s HIS 330 CO -0.17 0.18 1.75 -1.00 -0.85 0.00 0.00 174.74 174.65 1gql h PRO 331 N 2.95 0.00 -0.64 8.40 0.13 -2.01 -3.26 132.00 137.57 1gql h PRO 331 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gql h PRO 331 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1gql h PRO 331 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1gql n ASP 332 N -2.32 4.04 -4.92 1.44 5.75 -1.26 -4.88 116.55 114.39 1gql n ASP 332 Ca 0.03 -2.30 -0.26 0.00 -0.01 0.00 0.00 54.79 52.25 1gql n ASP 332 Cb 0.31 -0.51 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 1gql n ASP 332 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1gql s ILE 333 N -1.66 4.32 0.13 2.12 -4.36 -1.23 -5.01 121.20 115.52 1gql s ILE 333 Ca 0.44 -0.04 -0.13 0.00 -0.26 0.00 0.00 60.65 60.66 1gql s ILE 333 Cb 0.27 -3.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.32 1gql s ILE 333 CO 0.23 -0.61 1.57 -0.08 0.24 0.00 0.00 174.94 176.29 1gql h GLU 334 N 0.15 0.80 -2.93 0.37 4.81 -1.93 -3.43 114.58 112.42 1gql h GLU 334 Ca -0.46 -0.28 -0.39 0.00 -0.13 0.00 0.00 59.36 58.10 1gql h GLU 334 Cb 1.23 -0.06 -0.39 0.00 0.63 0.00 0.00 28.75 30.16 1gql h GLU 334 CO 0.60 0.89 -0.70 0.34 -0.73 0.00 0.00 179.01 179.41 1gql s ASP 335 N -6.35 1.77 0.47 1.04 2.15 -1.26 -5.02 116.67 109.48 1gql s ASP 335 Ca -0.12 -0.33 0.20 0.00 0.43 0.00 0.00 52.55 52.73 1gql s ASP 335 Cb 0.11 0.00 1.21 0.00 -0.30 0.00 0.00 42.92 43.94 1gql s ASP 335 CO 0.82 -0.32 1.94 -0.09 -0.17 0.00 0.00 175.17 177.34 1gql h ARG 336 N 8.39 0.24 -0.80 4.34 2.43 -1.92 -0.24 114.38 126.80 1gql h ARG 336 Ca -0.15 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1gql h ARG 336 Cb 1.14 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1gql h ARG 336 CO 0.26 0.16 0.53 0.35 -1.51 0.00 0.00 179.97 179.76 1gql h PHE 337 N 0.24 0.54 0.00 2.20 3.04 -1.95 -0.41 116.94 120.60 1gql h PHE 337 Ca 0.35 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1gql h PHE 337 Cb 1.01 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1gql h PHE 337 CO -0.00 0.19 -0.04 0.54 -2.02 0.00 0.00 178.31 176.98 1gql n ARG 338 N -4.49 0.19 0.18 1.11 1.74 -0.10 -4.60 116.66 110.68 1gql n ARG 338 Ca 0.16 0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 57.23 1gql n ARG 338 Cb 0.56 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 1gql n ARG 338 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1gql h GLY 339 N 4.66 -0.99 0.97 -0.13 0.00 -1.13 -2.01 103.07 104.45 1gql h GLY 339 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 1gql h GLY 339 CO 0.00 -0.30 0.19 0.00 0.00 0.00 0.00 176.54 176.43 1gql h ALA 340 N -0.42 0.66 -0.27 3.60 0.00 -1.79 -1.20 119.26 119.85 1gql h ALA 340 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gql h ALA 340 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1gql h ALA 340 CO -0.17 0.29 0.16 -0.92 0.00 0.00 0.00 179.25 178.61 1gql h TYR 341 N 0.68 0.35 0.00 0.00 5.03 -1.85 -0.74 116.97 120.44 1gql h TYR 341 Ca 0.17 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.41 1gql h TYR 341 Cb 0.22 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1gql h TYR 341 CO 0.01 0.26 -0.34 -0.44 -1.32 0.00 0.00 178.16 176.33 1gql h ASP 342 N 0.34 0.00 -0.14 -2.11 3.32 -1.20 -0.65 116.42 115.99 1gql h ASP 342 Ca 0.10 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.94 1gql h ASP 342 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1gql h ASP 342 CO -0.02 0.34 -0.72 -0.33 -1.72 0.00 0.00 179.24 176.79 1gql h GLU 343 N 0.00 0.73 0.00 3.56 4.39 -0.78 -3.41 114.58 119.07 1gql h GLU 343 Ca -0.00 -0.60 -0.32 0.00 0.34 0.00 0.00 59.36 58.78 1gql h GLU 343 Cb 0.64 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 1gql h GLU 343 CO 0.04 1.21 -2.28 1.19 -1.16 0.00 0.00 179.01 178.01 1gql n PHE 344 N -4.01 0.00 -0.29 4.33 3.72 -0.32 -4.44 117.46 116.45 1gql n PHE 344 Ca -0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.40 1gql n PHE 344 Cb 0.72 -0.90 0.23 0.00 -0.94 0.00 0.00 39.48 38.58 1gql n PHE 344 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1gql h MET 345 N 0.00 0.57 0.00 -1.08 2.86 -1.33 0.69 114.93 116.64 1gql h MET 345 Ca -0.47 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1gql h MET 345 Cb 2.06 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.59 1gql h MET 345 CO 0.03 0.37 0.00 -2.30 1.06 0.00 0.00 176.91 176.07 1gql n PRO 346 N -4.90 0.13 -0.22 -0.22 -0.02 -1.26 -2.17 135.00 126.34 1gql n PRO 346 Ca 0.17 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1gql n PRO 346 Cb 0.45 -1.84 0.22 0.00 -0.02 0.00 0.00 33.50 32.32 1gql n PRO 346 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gql n LEU 347 N -2.10 3.45 -4.69 2.45 4.77 0.23 -4.96 117.00 116.15 1gql n LEU 347 Ca 0.00 -1.63 -0.42 0.00 -0.03 0.00 0.00 56.01 53.94 1gql n LEU 347 Cb 0.11 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1gql n LEU 347 CO 0.12 0.78 1.47 -0.62 -1.33 0.00 0.00 177.39 177.81 1gql s ASP 348 N -1.31 6.41 0.00 -1.43 2.15 -0.92 -1.18 116.67 120.39 1gql s ASP 348 Ca 0.38 2.78 0.00 0.00 0.43 0.00 0.00 52.55 56.14 1gql s ASP 348 Cb 0.22 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1gql s ASP 348 CO 0.30 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.90 1gql n GLY 349 N 4.23 1.26 0.33 2.66 0.00 -1.19 -4.90 105.19 107.58 1gql n GLY 349 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1gql n GLY 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gql n LYS 350 N -2.00 0.96 -3.49 1.61 4.76 -0.33 -4.91 118.16 114.76 1gql n LYS 350 Ca 0.00 -0.66 -0.35 0.00 -2.87 0.00 0.00 58.31 54.43 1gql n LYS 350 Cb 0.00 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 1gql n LYS 350 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1gql s PHE 351 N -2.49 3.61 0.84 2.13 0.08 -1.26 -4.89 117.98 116.00 1gql s PHE 351 Ca 0.23 0.90 -0.11 0.00 0.12 0.00 0.00 56.93 58.07 1gql s PHE 351 Cb 0.19 -2.25 0.10 0.00 -0.57 0.00 0.00 43.02 40.50 1gql s PHE 351 CO 0.54 0.50 1.14 0.00 -0.10 0.00 0.00 175.22 177.30 1gql s ALA 352 N -1.39 1.79 -0.14 5.36 0.00 -1.26 -4.91 121.76 121.21 1gql s ALA 352 Ca 0.34 0.56 0.30 0.00 0.00 0.00 0.00 51.96 53.16 1gql s ALA 352 Cb -0.15 -3.41 1.19 0.00 0.00 0.00 0.00 23.12 20.76 1gql s ALA 352 CO 0.18 -2.34 1.87 0.22 0.00 0.00 0.00 175.76 175.69 1gql h ASP 353 N -1.39 0.00 -0.43 0.00 3.58 -1.99 -1.64 116.42 114.55 1gql h ASP 353 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1gql h ASP 353 Cb 1.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1gql h ASP 353 CO 0.45 0.00 0.02 -0.46 -2.88 0.00 0.00 179.24 176.37 1gql n ASN 354 N -2.78 4.40 -4.60 2.28 6.94 -1.26 -4.84 115.26 115.40 1gql n ASN 354 Ca 0.01 -2.69 -0.34 0.00 -0.02 0.00 0.00 54.58 51.54 1gql n ASN 354 Cb 0.29 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.96 1gql n ASN 354 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1gql s VAL 355 N -2.28 4.04 -0.07 3.53 1.01 -0.62 -0.96 120.40 125.05 1gql s VAL 355 Ca 0.39 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1gql s VAL 355 Cb 0.30 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1gql s VAL 355 CO 0.11 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 1gql s ILE 356 N -0.44 1.18 -0.27 2.22 1.01 0.35 -4.40 121.20 120.85 1gql s ILE 356 Ca 0.07 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1gql s ILE 356 Cb -0.12 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1gql s ILE 356 CO 0.02 0.37 0.99 -0.22 0.00 0.00 0.00 174.94 176.10 1gql s LEU 357 N 0.77 4.04 -0.34 2.97 2.96 0.01 -0.49 118.68 128.60 1gql s LEU 357 Ca -0.12 1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 54.77 1gql s LEU 357 Cb -0.16 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1gql s LEU 357 CO 0.02 -0.71 0.37 -1.58 -1.32 0.00 0.00 176.35 173.13 1gql s GLN 358 N 3.27 3.61 -0.11 1.98 0.74 0.38 -1.13 119.66 128.40 1gql s GLN 358 Ca 0.42 -0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.50 1gql s GLN 358 Cb -0.14 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.18 1gql s GLN 358 CO 0.10 -0.51 -0.22 0.42 -0.55 0.00 0.00 175.29 174.53 1gql s ILE 359 N 2.04 1.98 0.80 -2.34 1.01 -0.19 -0.86 121.20 123.64 1gql s ILE 359 Ca 0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 1gql s ILE 359 Cb -0.16 -1.73 0.08 0.00 0.01 0.00 0.00 42.46 40.66 1gql s ILE 359 CO 0.12 0.54 1.17 -0.54 0.00 0.00 0.00 174.94 176.22 1gql s LYS 360 N 0.49 1.75 0.34 2.79 1.02 -1.26 -0.39 119.74 124.48 1gql s LYS 360 Ca -0.16 1.60 0.08 0.00 0.02 0.00 0.00 55.97 57.52 1gql s LYS 360 Cb -0.17 -1.80 0.80 0.00 -0.52 0.00 0.00 37.83 36.13 1gql s LYS 360 CO 0.06 -2.09 1.84 -2.95 -0.92 0.00 0.00 175.35 171.28 1gql h ASN 361 N -0.97 0.70 -2.77 2.83 -1.07 -1.85 -3.42 115.58 109.03 1gql h ASN 361 Ca -0.45 0.06 -0.52 0.00 0.07 0.00 0.00 56.30 55.45 1gql h ASN 361 Cb 1.28 -0.08 -0.14 0.00 -2.07 0.00 0.00 38.32 37.31 1gql h ASN 361 CO 0.47 0.32 -0.63 -0.83 0.07 0.00 0.00 177.43 176.83 1gql s GLY 362 N -3.68 2.10 0.00 9.14 0.00 -1.26 -0.86 107.32 112.76 1gql s GLY 362 Ca -0.10 -2.07 0.29 0.00 0.00 0.00 0.00 44.72 42.84 1gql s GLY 362 CO 0.79 -1.89 1.97 -1.55 0.00 0.00 0.00 173.10 172.42 1gql n PRO 363 N -0.72 0.24 0.00 2.90 -0.04 -1.26 -4.56 135.00 131.56 1gql n PRO 363 Ca -0.04 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1gql n PRO 363 Cb 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1gql n PRO 363 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gql n ILE 364 N -1.37 0.00 -2.69 0.52 2.08 -1.26 -4.68 119.36 111.96 1gql n ILE 364 Ca 0.11 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.37 1gql n ILE 364 Cb 0.29 -0.48 0.06 0.00 -0.75 0.00 0.00 39.64 38.76 1gql n ILE 364 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1gql n ASP 365 N 0.00 -1.81 -2.17 4.38 2.03 -1.26 -5.01 116.55 112.71 1gql n ASP 365 Ca 0.00 -2.01 -0.16 0.00 0.52 0.00 0.00 54.79 53.14 1gql n ASP 365 Cb 0.00 1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 41.40 1gql n ASP 365 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1gql n PHE 366 N 1.86 -0.97 -1.44 -0.67 3.72 -1.26 -4.94 117.46 113.76 1gql n PHE 366 Ca 0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 1gql n PHE 366 Cb 0.67 -3.18 0.08 0.00 -0.94 0.00 0.00 39.48 36.10 1gql n PHE 366 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1gql s GLN 367 N -4.59 2.39 0.44 -1.08 -1.52 -1.26 -4.79 119.66 109.25 1gql s GLN 367 Ca 0.00 1.32 0.19 0.00 -1.95 0.00 0.00 55.36 54.93 1gql s GLN 367 Cb 0.00 -1.90 1.14 0.00 -0.22 0.00 0.00 33.01 32.02 1gql s GLN 367 CO 0.00 -1.56 1.87 -1.35 -0.25 0.00 0.00 175.29 174.00 1gql h PRO 368 N -0.64 0.34 -3.62 2.91 0.11 -1.92 -3.35 132.00 125.83 1gql h PRO 368 Ca -0.45 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 1gql h PRO 368 Cb 1.24 -0.08 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 1gql h PRO 368 CO 0.52 0.22 -0.73 0.50 -0.21 0.00 0.00 178.00 178.30 1gql s ARG 369 N -5.36 0.04 0.05 1.05 3.52 -1.26 -4.88 118.95 112.11 1gql s ARG 369 Ca -0.08 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1gql s ARG 369 Cb 0.22 -0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.34 1gql s ARG 369 CO 0.78 -0.12 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.83 1gql s GLU 370 N 0.82 0.66 0.86 5.12 2.02 -1.26 -4.97 118.70 121.96 1gql s GLU 370 Ca -0.07 -0.83 -0.11 0.00 0.02 0.00 0.00 54.97 53.97 1gql s GLU 370 Cb -0.10 -0.53 0.11 0.00 0.10 0.00 0.00 34.13 33.71 1gql s GLU 370 CO -0.02 0.11 1.09 -1.25 0.02 0.00 0.00 175.26 175.21 1gql s PRO 371 N -1.62 1.53 0.47 0.39 0.04 -1.26 -4.86 135.00 129.70 1gql s PRO 371 Ca -0.06 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 61.77 1gql s PRO 371 Cb -0.10 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1gql s PRO 371 CO 0.01 -2.11 1.27 -0.59 0.04 0.00 0.00 177.00 175.62 1gql s PHE 372 N -2.87 2.65 0.03 0.56 -0.12 -1.26 -4.17 117.98 112.80 1gql s PHE 372 Ca 0.63 1.44 -0.30 0.00 -0.05 0.00 0.00 56.93 58.65 1gql s PHE 372 Cb -0.18 -3.61 -0.09 0.00 -0.63 0.00 0.00 43.02 38.51 1gql s PHE 372 CO 0.57 -2.16 1.93 -1.12 -0.05 0.00 0.00 175.22 174.40 1gql s SER 373 N -1.04 6.47 0.49 1.98 0.01 -0.04 -4.70 113.70 116.86 1gql s SER 373 Ca 0.64 2.63 0.16 0.00 1.31 0.00 0.00 55.95 60.70 1gql s SER 373 Cb -0.35 -2.53 1.18 0.00 0.21 0.00 0.00 66.02 64.52 1gql s SER 373 CO 0.43 -1.04 2.07 0.00 0.41 0.00 0.00 173.24 175.11 1gql h ALA 374 N 10.45 2.06 -1.04 1.44 0.00 -1.91 -1.67 119.26 128.59 1gql h ALA 374 Ca -0.49 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.68 1gql h ALA 374 Cb 1.23 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1gql h ALA 374 CO 0.94 -0.12 0.68 -0.07 0.00 0.00 0.00 179.25 180.68 1gql h LEU 375 N 0.18 0.37 -1.58 0.00 3.38 -1.89 -1.65 115.31 114.13 1gql h LEU 375 Ca 0.14 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1gql h LEU 375 Cb 0.31 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1gql h LEU 375 CO -0.02 0.08 0.18 -0.26 0.09 0.00 0.00 178.44 178.51 1gql h PHE 376 N 0.33 0.44 -0.01 1.13 0.04 -1.68 -1.87 116.94 115.33 1gql h PHE 376 Ca 0.57 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.34 1gql h PHE 376 Cb 1.57 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1gql h PHE 376 CO -0.00 0.32 -0.38 0.00 -0.60 0.00 0.00 178.31 177.65 1gql n ALA 377 N -2.48 3.35 -0.06 2.45 0.00 -0.65 -4.50 120.51 118.61 1gql n ALA 377 Ca 0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 1gql n ALA 377 Cb 0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1gql n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gql n GLY 378 N 1.38 -0.58 3.51 0.00 0.00 -0.87 -4.85 105.19 103.79 1gql n GLY 378 Ca 0.11 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1gql n GLY 378 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gql s MET 379 N -2.29 3.30 0.00 1.61 -1.94 -0.76 -4.89 119.30 114.33 1gql s MET 379 Ca -0.06 -0.36 0.17 0.00 -1.71 0.00 0.00 55.69 53.73 1gql s MET 379 Cb 0.04 -4.03 0.01 0.00 2.01 0.00 0.00 34.83 32.85 1gql s MET 379 CO 0.49 -1.32 0.90 -1.13 -0.01 0.00 0.00 175.02 173.95 1gql n SER 380 N 6.96 1.76 -0.94 3.03 3.41 -1.26 -4.53 113.62 122.05 1gql n SER 380 Ca 0.00 -1.38 0.04 0.00 -0.26 0.00 0.00 58.87 57.28 1gql n SER 380 Cb 0.47 0.42 0.08 0.00 -0.26 0.00 0.00 64.21 64.93 1gql n SER 380 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gql n ARG 381 N 0.00 0.57 -3.83 4.33 1.74 -1.26 -4.83 116.66 113.38 1gql n ARG 381 Ca 0.07 -2.25 -0.13 0.00 -0.77 0.00 0.00 57.85 54.77 1gql n ARG 381 Cb 0.36 -0.69 -0.15 0.00 -1.02 0.00 0.00 32.46 30.97 1gql n ARG 381 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1gql s THR 382 N -1.19 -0.02 0.35 0.55 2.01 -1.26 -3.16 115.64 112.91 1gql s THR 382 Ca 0.29 0.08 -0.28 0.00 0.31 0.00 0.00 61.69 62.09 1gql s THR 382 Cb 0.31 -0.06 -0.10 0.00 0.01 0.00 0.00 72.50 72.66 1gql s THR 382 CO -0.09 0.03 1.30 0.20 -0.69 0.00 0.00 174.62 175.37 1gql s ASN 383 N 0.42 6.69 0.10 3.53 0.01 -1.26 -4.95 114.94 119.48 1gql s ASN 383 Ca -0.03 2.67 0.03 0.00 -0.71 0.00 0.00 52.86 54.82 1gql s ASN 383 Cb -0.05 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 1gql s ASN 383 CO -0.01 -0.59 -0.09 -0.04 -1.51 0.00 0.00 177.10 174.86 1gql s MET 384 N -1.88 0.84 0.01 -0.60 -1.94 -1.26 -0.81 119.30 113.66 1gql s MET 384 Ca 0.50 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1gql s MET 384 Cb -0.39 -0.47 0.01 0.00 2.01 0.00 0.00 34.83 35.99 1gql s MET 384 CO 0.52 0.06 0.24 0.00 -0.01 0.00 0.00 175.02 175.83 1gql s MET 385 N -2.94 0.65 0.23 2.03 0.23 -0.28 -3.99 119.30 115.22 1gql s MET 385 Ca 0.06 -0.41 -0.12 0.00 -1.03 0.00 0.00 55.69 54.19 1gql s MET 385 Cb -0.02 0.28 -0.08 0.00 -1.53 0.00 0.00 34.83 33.49 1gql s MET 385 CO -0.01 -0.18 0.60 1.41 -2.03 0.00 0.00 175.02 174.81 1gql s MET 386 N -1.85 3.91 -0.20 3.16 1.75 -0.89 -1.02 119.30 124.16 1gql s MET 386 Ca -0.10 0.44 0.01 0.00 -1.25 0.00 0.00 55.69 54.79 1gql s MET 386 Cb -0.04 -2.68 0.04 0.00 2.84 0.00 0.00 34.83 34.99 1gql s MET 386 CO 0.00 0.33 -0.10 -2.00 -0.65 0.00 0.00 175.02 172.60 1gql s GLU 387 N -2.59 2.04 0.16 4.11 2.12 0.47 0.11 118.70 125.12 1gql s GLU 387 Ca 0.46 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 55.02 1gql s GLU 387 Cb -0.12 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1gql s GLU 387 CO 0.20 -0.42 0.07 -0.06 -0.54 0.00 0.00 175.26 174.50 1gql s PHE 388 N 1.40 3.01 -0.18 5.30 2.99 -0.24 -2.24 117.98 128.02 1gql s PHE 388 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 56.93 56.80 1gql s PHE 388 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 43.02 41.36 1gql s PHE 388 CO -0.08 0.52 0.02 -1.14 -0.00 0.00 0.00 175.22 174.53 1gql s GLN 389 N -2.93 3.83 -0.22 0.44 0.74 -1.26 -1.04 119.66 119.21 1gql s GLN 389 Ca 0.29 -0.43 -0.11 0.00 0.05 0.00 0.00 55.36 55.16 1gql s GLN 389 Cb -0.10 -3.10 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 1gql s GLN 389 CO 0.21 0.23 -0.29 -0.89 -0.55 0.00 0.00 175.29 174.00 1gql n ILE 390 N 3.62 1.22 -1.61 -2.34 -0.00 -0.08 -4.89 119.36 115.28 1gql n ILE 390 Ca -0.17 -0.31 -0.44 0.00 -0.00 0.00 0.00 62.75 61.83 1gql n ILE 390 Cb 0.52 -1.80 -0.01 0.00 -0.00 0.00 0.00 39.64 38.35 1gql n ILE 390 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1gql n THR 391 N -3.99 1.99 -1.90 1.39 5.66 -0.62 -4.83 114.28 111.97 1gql n THR 391 Ca -0.44 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 59.71 1gql n THR 391 Cb 0.81 -1.09 -0.01 0.00 -1.55 0.00 0.00 70.33 68.48 1gql n THR 391 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gql n GLN 392 N 0.70 3.72 -0.33 1.09 6.02 -1.26 -4.63 117.38 122.69 1gql n GLN 392 Ca 0.09 -3.25 0.08 0.00 -0.01 0.00 0.00 57.00 53.90 1gql n GLN 392 Cb 0.33 -2.39 0.24 0.00 1.02 0.00 0.00 30.24 29.44 1gql n GLN 392 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1gql h GLU 393 N 3.77 0.77 -0.11 -1.09 4.81 -1.88 0.13 114.58 120.99 1gql h GLU 393 Ca 0.55 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1gql h GLU 393 Cb 0.42 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1gql h GLU 393 CO 1.21 0.51 0.00 0.66 -0.73 0.00 0.00 179.01 180.66 1gql n TYR 394 N -4.75 0.13 -1.08 0.92 4.01 -1.26 -4.56 117.16 110.57 1gql n TYR 394 Ca 0.18 -0.18 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 1gql n TYR 394 Cb 0.41 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.55 1gql n TYR 394 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gql n PHE 395 N 0.45 0.00 -0.10 -0.72 3.72 -1.11 -4.78 117.46 114.91 1gql n PHE 395 Ca 0.07 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 1gql n PHE 395 Cb 0.29 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 1gql n PHE 395 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gql n GLY 396 N -1.20 1.90 7.00 1.37 0.00 -1.05 -4.56 105.19 108.65 1gql n GLY 396 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1gql n GLY 396 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gql n PHE 397 N -1.13 0.00 -0.28 1.61 3.01 0.44 -2.11 117.46 118.99 1gql n PHE 397 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 1gql n PHE 397 Cb 0.03 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 39.76 1gql n PHE 397 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gql n ALA 398 N 11.84 2.32 0.23 4.37 0.00 -1.26 -4.47 120.51 133.54 1gql n ALA 398 Ca 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 53.44 52.25 1gql n ALA 398 Cb 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 1gql n ALA 398 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gql n THR 399 N 1.31 0.00 -3.99 0.00 -2.24 -0.90 -3.80 114.28 104.67 1gql n THR 399 Ca 0.20 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 1gql n THR 399 Cb 0.56 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 1gql n THR 399 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1gql s HIS 400 N -2.30 3.46 -0.33 4.78 3.76 -1.12 -4.05 115.29 119.50 1gql s HIS 400 Ca 0.00 0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 55.06 1gql s HIS 400 Cb 0.07 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.83 1gql s HIS 400 CO 0.41 0.59 0.88 -1.17 -0.85 0.00 0.00 174.74 174.60 1gql s LEU 401 N -0.75 4.04 -0.48 0.89 0.20 -1.26 -4.89 118.68 116.43 1gql s LEU 401 Ca 0.13 0.69 0.06 0.00 0.69 0.00 0.00 54.13 55.70 1gql s LEU 401 Cb -0.12 -3.22 0.18 0.00 -0.43 0.00 0.00 46.19 42.61 1gql s LEU 401 CO 0.03 -0.74 0.57 0.00 -0.29 0.00 0.00 176.35 175.92 1gql s ALA 402 N 3.24 -0.72 0.13 5.97 0.00 -1.26 -4.78 121.76 124.33 1gql s ALA 402 Ca 0.36 -1.22 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 1gql s ALA 402 Cb -0.13 -2.27 -0.11 0.00 0.00 0.00 0.00 23.12 20.61 1gql s ALA 402 CO 0.15 -2.13 1.84 -0.47 0.00 0.00 0.00 175.76 175.14 1gql s TYR 403 N 0.56 2.15 -2.05 0.00 5.04 -1.26 -4.86 117.35 116.93 1gql s TYR 403 Ca 0.31 -0.03 0.26 0.00 -2.44 0.00 0.00 57.07 55.16 1gql s TYR 403 Cb 0.01 -4.19 0.60 0.00 0.35 0.00 0.00 41.96 38.74 1gql s TYR 403 CO -0.11 -4.91 1.47 1.04 -1.34 0.00 0.00 175.55 171.71 1gql n GLN 404 N 5.64 1.19 -0.26 4.97 1.13 -1.26 -4.08 117.38 124.70 1gql n GLN 404 Ca 0.18 -0.80 0.07 0.00 -1.94 0.00 0.00 57.00 54.51 1gql n GLN 404 Cb 0.38 -1.48 0.20 0.00 0.11 0.00 0.00 30.24 29.44 1gql n GLN 404 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1gql h GLY 405 N 4.88 1.02 1.77 1.08 0.00 -1.88 -1.04 103.07 108.90 1gql h GLY 405 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1gql h GLY 405 CO 0.00 -0.29 -0.04 -2.55 0.00 0.00 0.00 176.54 173.67 1gql h PRO 406 N 0.17 0.29 -0.29 4.80 0.11 -1.91 0.46 132.00 135.63 1gql h PRO 406 Ca 0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.44 1gql h PRO 406 Cb 0.82 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1gql h PRO 406 CO -0.62 0.35 -0.09 1.25 -0.21 0.00 0.00 178.00 178.67 1gql h LEU 407 N 0.28 0.58 -0.18 2.35 6.46 -1.50 -1.12 115.31 122.18 1gql h LEU 407 Ca 0.06 -0.38 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1gql h LEU 407 Cb 0.26 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1gql h LEU 407 CO 0.01 0.83 0.00 -0.26 -0.62 0.00 0.00 178.44 178.40 1gql h PHE 408 N 0.32 0.35 -0.22 1.25 0.04 -0.99 -1.91 116.94 115.78 1gql h PHE 408 Ca 0.07 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1gql h PHE 408 Cb 0.59 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1gql h PHE 408 CO 0.05 0.52 0.13 1.49 -0.60 0.00 0.00 178.31 179.90 1gql h GLU 409 N 0.07 0.31 -0.50 1.51 4.81 -0.96 0.21 114.58 120.04 1gql h GLU 409 Ca 0.05 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1gql h GLU 409 Cb 0.38 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.62 1gql h GLU 409 CO 0.01 0.28 0.02 1.49 -0.73 0.00 0.00 179.01 180.08 1gql h GLU 410 N 0.26 0.13 0.29 1.92 4.81 -1.12 0.00 114.58 120.86 1gql h GLU 410 Ca 0.08 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1gql h GLU 410 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1gql h GLU 410 CO -0.01 0.09 -0.14 0.77 -0.73 0.00 0.00 179.01 178.99 1gql h SER 411 N 0.14 -0.33 -0.14 1.04 0.02 -1.05 -2.59 113.55 110.64 1gql h SER 411 Ca 0.25 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 1gql h SER 411 Cb 0.38 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1gql h SER 411 CO -0.40 -0.18 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.02 1gql h LEU 412 N -0.45 0.36 -1.51 5.07 3.38 -0.41 -1.86 115.31 119.88 1gql h LEU 412 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1gql h LEU 412 Cb 0.34 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gql h LEU 412 CO 0.07 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.33 1gql n LYS 413 N -4.31 1.99 -2.06 1.13 5.02 -0.06 -0.76 118.16 119.10 1gql n LYS 413 Ca 0.01 -1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 54.38 1gql n LYS 413 Cb 0.23 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 1gql n LYS 413 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1gql s THR 414 N -1.69 3.15 -0.16 -0.18 2.01 -0.70 -4.83 115.64 113.25 1gql s THR 414 Ca 0.34 0.73 -0.27 0.00 0.31 0.00 0.00 61.69 62.80 1gql s THR 414 Cb 0.19 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1gql s THR 414 CO 0.28 0.03 0.90 -0.70 -0.69 0.00 0.00 174.62 174.44 1gql s GLU 415 N 1.76 4.33 0.05 4.92 2.56 -1.26 -1.67 118.70 129.39 1gql s GLU 415 Ca 0.68 1.16 0.22 0.00 0.00 0.00 0.00 54.97 57.03 1gql s GLU 415 Cb -0.38 -3.57 -0.16 0.00 2.00 0.00 0.00 34.13 32.02 1gql s GLU 415 CO 0.30 -0.35 0.77 0.25 -0.56 0.00 0.00 175.26 175.67 1gql n THR 416 N 4.73 0.18 -1.95 -1.70 -2.24 -0.39 -4.97 114.28 107.95 1gql n THR 416 Ca 0.06 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 1gql n THR 416 Cb 0.48 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1gql n THR 416 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gql n HIS 417 N -2.23 -0.52 -0.31 4.78 -0.00 -1.25 -4.59 115.22 111.09 1gql n HIS 417 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.67 1gql n HIS 417 Cb 0.51 -3.53 0.08 0.00 -0.00 0.00 0.00 29.99 27.05 1gql n HIS 417 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gql h ALA 418 N 0.53 1.08 -1.15 -1.41 0.00 -1.89 -3.36 119.26 113.06 1gql h ALA 418 Ca -0.43 -0.11 -0.41 0.00 0.00 0.00 0.00 54.91 53.96 1gql h ALA 418 Cb 1.30 -0.34 -0.28 0.00 0.00 0.00 0.00 17.79 18.47 1gql h ALA 418 CO 0.57 0.56 -0.85 -2.13 0.00 0.00 0.00 179.25 177.40 1gql n ARG 419 N -4.41 0.76 0.00 0.00 0.63 -1.26 -5.05 116.66 107.32 1gql n ARG 419 Ca 0.09 -2.60 0.00 0.00 -0.92 0.00 0.00 57.85 54.42 1gql n ARG 419 Cb 0.07 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1gql n ARG 419 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gql n GLY 420 N 1.44 -1.47 3.75 5.14 0.00 -1.26 -4.72 105.19 108.08 1gql n GLY 420 Ca 0.16 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1gql n GLY 420 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gql s GLU 421 N -1.45 3.23 0.00 1.61 2.02 -1.26 -2.99 118.70 119.86 1gql s GLU 421 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1gql s GLU 421 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1gql s GLU 421 CO 0.00 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1gql n GLY 422 N 0.68 0.76 2.38 -1.39 0.00 -1.26 -4.96 105.19 101.39 1gql n GLY 422 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1gql n GLY 422 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gql n SER 423 N 0.00 7.72 -4.82 1.61 7.64 -1.16 -4.78 113.62 119.83 1gql n SER 423 Ca 0.00 -2.91 -0.31 0.00 1.01 0.00 0.00 58.87 56.66 1gql n SER 423 Cb 0.00 -1.41 0.04 0.00 -1.01 0.00 0.00 64.21 61.83 1gql n SER 423 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1gql s THR 424 N -0.10 3.99 0.21 0.44 -4.23 -1.26 -1.27 115.64 113.43 1gql s THR 424 Ca 0.61 0.73 -0.09 0.00 -1.18 0.00 0.00 61.69 61.76 1gql s THR 424 Cb 0.23 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.83 1gql s THR 424 CO -0.09 -0.77 1.72 0.40 -0.54 0.00 0.00 174.62 175.34 1gql h ILE 425 N -0.38 0.67 -0.48 2.99 1.08 -1.29 0.14 117.51 120.25 1gql h ILE 425 Ca -0.45 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 1gql h ILE 425 Cb 1.21 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1gql h ILE 425 CO 0.57 0.06 0.21 1.23 -0.69 0.00 0.00 178.15 179.53 1gql h GLY 426 N 0.32 0.65 1.67 5.37 0.00 -1.22 1.00 103.07 110.86 1gql h GLY 426 Ca 0.33 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.44 1gql h GLY 426 CO -0.38 0.06 -0.24 3.43 0.00 0.00 0.00 176.54 179.42 1gql h ASN 427 N 0.41 0.39 -0.03 0.19 2.35 -1.60 -0.41 115.58 116.88 1gql h ASN 427 Ca 0.22 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1gql h ASN 427 Cb 0.17 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1gql h ASN 427 CO -0.19 0.63 -0.00 0.40 -1.65 0.00 0.00 177.43 176.63 1gql h ILE 428 N 0.35 1.25 -0.96 2.81 2.04 -0.35 -2.82 117.51 119.83 1gql h ILE 428 Ca 0.06 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1gql h ILE 428 Cb 0.61 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1gql h ILE 428 CO 0.04 0.20 0.61 -0.07 0.00 0.00 0.00 178.15 178.93 1gql h LEU 429 N -0.25 0.93 -2.49 1.44 3.38 -0.57 -1.07 115.31 116.69 1gql h LEU 429 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1gql h LEU 429 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1gql h LEU 429 CO 0.00 0.56 -0.02 -0.08 0.09 0.00 0.00 178.44 178.99 1gql h GLU 430 N 1.05 0.00 0.00 1.13 4.81 -0.96 -3.40 114.58 117.21 1gql h GLU 430 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1gql h GLU 430 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1gql h GLU 430 CO -0.21 0.02 0.00 0.41 -0.73 0.00 0.00 179.01 178.50 1gql n GLY 431 N -0.97 0.41 0.17 1.92 0.00 -0.40 -4.90 105.19 101.42 1gql n GLY 431 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1gql n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gql h LYS 432 N 4.41 0.00 0.07 1.61 1.57 -1.70 -0.01 116.57 122.52 1gql h LYS 432 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gql h LYS 432 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1gql h LYS 432 CO 0.00 0.44 -0.03 0.28 -0.57 0.00 0.00 179.45 179.57 1gql h VAL 433 N 0.00 1.14 -0.01 0.50 2.07 -1.83 -3.38 116.25 114.74 1gql h VAL 433 Ca -0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1gql h VAL 433 Cb 1.02 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1gql h VAL 433 CO 0.06 0.33 -0.51 0.49 0.02 0.00 0.00 177.57 177.96 1gql n PHE 434 N -4.79 0.00 -2.55 1.57 3.72 -1.25 -5.00 117.46 109.16 1gql n PHE 434 Ca -0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.30 1gql n PHE 434 Cb 0.30 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1gql n PHE 434 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1gql n LYS 435 N -0.30 -1.03 -4.40 -1.08 4.76 -0.06 -4.84 118.16 111.21 1gql n LYS 435 Ca 0.07 0.98 -0.21 0.00 -2.87 0.00 0.00 58.31 56.29 1gql n LYS 435 Cb 0.40 -4.28 -0.10 0.00 -1.84 0.00 0.00 35.03 29.21 1gql n LYS 435 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1gql s THR 436 N -3.07 1.99 -0.00 -0.18 -4.23 -0.94 -5.06 115.64 104.15 1gql s THR 436 Ca 0.09 -2.27 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1gql s THR 436 Cb -0.01 -2.20 -0.00 0.00 1.34 0.00 0.00 72.50 71.63 1gql s THR 436 CO 0.48 -0.48 0.00 0.54 -0.54 0.00 0.00 174.62 174.63 1gql n ARG 437 N -0.50 0.19 -3.04 3.99 1.74 -1.26 -4.43 116.66 113.35 1gql n ARG 437 Ca -0.07 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 1gql n ARG 437 Cb 0.61 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.99 1gql n ARG 437 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1gql s HIS 438 N -2.00 2.97 0.18 -1.55 3.76 -1.26 -4.82 115.29 112.57 1gql s HIS 438 Ca -0.00 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1gql s HIS 438 Cb 0.00 -3.67 -0.05 0.00 1.11 0.00 0.00 32.58 29.98 1gql s HIS 438 CO 0.00 -1.09 -0.03 0.95 -0.85 0.00 0.00 174.74 173.72 1gql s THR 439 N 3.10 0.91 0.00 1.30 -4.23 -1.26 -4.16 115.64 111.30 1gql s THR 439 Ca 0.22 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1gql s THR 439 Cb -0.16 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1gql s THR 439 CO 0.16 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1gql n GLY 440 N -0.28 -0.10 3.10 3.99 0.00 -1.26 -1.08 105.19 109.56 1gql n GLY 440 Ca -0.07 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1gql n GLY 440 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1gql s MET 441 N -2.00 0.25 0.00 1.61 1.75 -0.31 -2.10 119.30 118.51 1gql s MET 441 Ca 0.00 0.40 0.08 0.00 -1.25 0.00 0.00 55.69 54.92 1gql s MET 441 Cb 0.00 0.05 -0.02 0.00 2.84 0.00 0.00 34.83 37.69 1gql s MET 441 CO 0.00 -0.08 -0.24 0.00 -0.65 0.00 0.00 175.02 174.05 1gql s ALA 442 N 0.52 2.03 -0.11 4.11 0.00 0.12 -1.05 121.76 127.37 1gql s ALA 442 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1gql s ALA 442 Cb -0.05 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1gql s ALA 442 CO -0.03 0.49 -0.09 0.20 0.00 0.00 0.00 175.76 176.33 1gql s GLY 443 N -0.80 0.87 -0.72 0.00 0.00 -0.46 -1.08 107.32 105.13 1gql s GLY 443 Ca 0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.98 1gql s GLY 443 CO 0.00 0.67 1.15 0.14 0.00 0.00 0.00 173.10 175.06 1gql s VAL 444 N 1.54 4.00 -0.16 1.40 1.01 -0.21 -0.24 120.40 127.73 1gql s VAL 444 Ca 0.02 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.11 1gql s VAL 444 Cb -0.13 -4.82 -0.23 0.00 0.00 0.00 0.00 36.38 31.20 1gql s VAL 444 CO -0.07 -1.69 0.19 2.30 0.00 0.00 0.00 175.10 175.83 1gql n ILE 445 N 6.18 1.54 -4.24 2.22 -5.35 -0.64 -0.90 119.36 118.17 1gql n ILE 445 Ca 0.01 -0.74 -0.32 0.00 -0.27 0.00 0.00 62.75 61.43 1gql n ILE 445 Cb 0.47 -1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 37.26 1gql n ILE 445 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1gql n ASN 446 N -3.07 -0.47 -4.24 7.28 3.02 -1.24 -3.96 115.26 112.58 1gql n ASN 446 Ca -0.32 -1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 52.77 1gql n ASN 446 Cb 1.07 -2.16 0.19 0.00 -0.61 0.00 0.00 39.78 38.27 1gql n ASN 446 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1gql s PRO 447 N -7.07 0.13 0.00 3.52 0.04 -1.26 -4.32 135.00 126.03 1gql s PRO 447 Ca 0.25 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1gql s PRO 447 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1gql s PRO 447 CO 0.96 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1gql n GLY 448 N -2.21 3.06 0.00 0.56 0.00 -0.19 -4.65 105.19 101.77 1gql n GLY 448 Ca 0.11 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.10 1gql n GLY 448 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gql n THR 449 N 0.00 0.29 -1.51 2.61 -2.24 -0.05 -4.34 114.28 109.04 1gql n THR 449 Ca 0.00 0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1gql n THR 449 Cb 0.00 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.53 1gql n THR 449 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gql n ASP 450 N -1.26 -0.08 -0.25 3.42 9.92 -0.76 -4.83 116.55 122.70 1gql n ASP 450 Ca 0.11 0.94 0.07 0.00 -0.53 0.00 0.00 54.79 55.38 1gql n ASP 450 Cb 0.17 -1.21 0.32 0.00 -0.64 0.00 0.00 41.12 39.75 1gql n ASP 450 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1gql h ARG 451 N 1.00 0.81 -0.58 -1.24 9.65 -1.88 0.04 114.38 122.18 1gql h ARG 451 Ca -0.42 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1gql h ARG 451 Cb 1.38 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1gql h ARG 451 CO 0.53 0.54 0.00 0.27 2.80 0.00 0.00 179.97 184.11 1gql n ASN 452 N -4.50 3.19 0.00 -3.80 6.94 -1.24 -3.51 115.26 112.34 1gql n ASN 452 Ca 0.13 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1gql n ASN 452 Cb 0.27 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 1gql n ASN 452 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 1gql n TRP 453 N 0.74 0.00 0.19 -2.53 7.02 -0.00 -4.43 117.44 118.42 1gql n TRP 453 Ca 0.17 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.67 1gql n TRP 453 Cb 0.59 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.48 1gql n TRP 453 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gql n THR 454 N 0.00 0.00 0.00 -0.99 -2.24 -1.26 -1.02 114.28 108.77 1gql n THR 454 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1gql n THR 454 Cb 0.00 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1gql n THR 454 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gql n GLY 455 N 0.58 2.35 3.68 3.38 0.00 -1.26 -4.56 105.19 109.37 1gql n GLY 455 Ca 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1gql n GLY 455 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gql s HIS 456 N 0.00 3.39 0.38 1.61 5.65 -1.25 -4.95 115.29 120.12 1gql s HIS 456 Ca 0.00 1.46 0.15 0.00 0.25 0.00 0.00 55.06 56.92 1gql s HIS 456 Cb 0.00 -3.27 1.02 0.00 -1.18 0.00 0.00 32.58 29.15 1gql s HIS 456 CO 0.00 -0.59 1.78 -1.35 -0.65 0.00 0.00 174.74 173.92 1gql h PRO 457 N 7.27 0.46 0.00 2.88 0.11 -1.91 -1.66 132.00 139.15 1gql h PRO 457 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1gql h PRO 457 Cb 1.14 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1gql h PRO 457 CO 0.88 0.30 0.00 1.19 -0.21 0.00 0.00 178.00 180.16 1gql n PHE 458 N -4.66 0.52 0.24 0.65 3.01 -1.26 -1.81 117.46 114.15 1gql n PHE 458 Ca 0.24 0.17 0.10 0.00 1.01 0.00 0.00 57.45 58.98 1gql n PHE 458 Cb 0.79 -0.78 0.62 0.00 -0.01 0.00 0.00 39.48 40.10 1gql n PHE 458 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gql h VAL 459 N 0.00 0.74 -0.67 -4.37 2.07 -1.61 -1.88 116.25 110.53 1gql h VAL 459 Ca 0.00 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1gql h VAL 459 Cb 0.50 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1gql h VAL 459 CO 0.00 0.17 0.44 1.56 0.02 0.00 0.00 177.57 179.76 1gql h GLN 460 N 0.00 0.69 -0.36 1.57 4.20 -1.50 -1.80 115.11 117.90 1gql h GLN 460 Ca -0.00 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1gql h GLN 460 Cb 0.42 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1gql h GLN 460 CO 0.02 0.45 -0.04 0.66 -0.67 0.00 0.00 178.83 179.25 1gql h SER 461 N 0.71 0.56 -0.28 1.46 4.64 -1.50 -0.42 113.55 118.72 1gql h SER 461 Ca 0.28 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1gql h SER 461 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1gql h SER 461 CO -0.09 0.66 -0.23 0.28 -0.87 0.00 0.00 176.83 176.59 1gql h SER 462 N 0.55 0.68 -0.77 4.97 0.02 -1.36 -0.52 113.55 117.13 1gql h SER 462 Ca 0.11 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1gql h SER 462 Cb 0.42 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1gql h SER 462 CO 0.02 0.99 0.50 -0.25 -1.14 0.00 0.00 176.83 176.96 1gql h TRP 463 N 0.38 0.95 0.27 3.45 2.91 -1.19 -0.90 115.95 121.82 1gql h TRP 463 Ca 0.05 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.08 1gql h TRP 463 Cb 0.78 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1gql h TRP 463 CO 0.07 0.59 -0.13 -0.92 -1.03 0.00 0.00 178.44 177.02 1gql h TYR 464 N 1.02 -0.33 -0.65 2.65 3.20 -0.92 -1.93 116.97 120.00 1gql h TYR 464 Ca 0.29 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1gql h TYR 464 Cb -0.09 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1gql h TYR 464 CO -0.02 -0.17 0.43 0.00 -1.64 0.00 0.00 178.16 176.76 1gql h ALA 465 N 0.32 0.83 -0.32 1.82 0.00 -0.97 -1.27 119.26 119.67 1gql h ALA 465 Ca -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1gql h ALA 465 Cb 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1gql h ALA 465 CO 0.06 0.24 0.02 0.35 0.00 0.00 0.00 179.25 179.92 1gql h PHE 466 N 0.87 0.02 -0.53 0.00 3.57 -0.96 0.64 116.94 120.55 1gql h PHE 466 Ca 0.24 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.66 1gql h PHE 466 Cb -0.08 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1gql h PHE 466 CO -0.03 -0.03 -0.10 0.78 -2.23 0.00 0.00 178.31 176.70 1gql h GLY 467 N 0.12 1.06 0.98 2.40 0.00 -0.79 0.23 103.07 107.06 1gql h GLY 467 Ca 0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1gql h GLY 467 CO -0.24 0.76 0.26 3.21 0.00 0.00 0.00 176.54 180.54 1gql h ARG 468 N 0.87 0.64 0.00 4.80 2.47 -0.93 -2.37 114.38 119.87 1gql h ARG 468 Ca 0.14 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.70 1gql h ARG 468 Cb 0.64 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1gql h ARG 468 CO 0.04 0.49 -0.45 0.52 0.56 0.00 0.00 179.97 181.14 1gql h MET 469 N 0.61 0.00 -0.06 0.04 2.86 -0.62 -0.45 114.93 117.31 1gql h MET 469 Ca 0.16 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1gql h MET 469 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1gql h MET 469 CO -0.03 0.45 -0.33 0.00 1.06 0.00 0.00 176.91 178.06 1gql h ALA 470 N 1.55 1.35 -0.02 6.32 0.00 -0.73 -1.88 119.26 125.85 1gql h ALA 470 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1gql h ALA 470 Cb 0.87 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1gql h ALA 470 CO 0.06 0.47 -0.43 2.35 0.00 0.00 0.00 179.25 181.70 1gql h TRP 471 N 0.10 0.48 -2.57 0.00 2.91 -0.93 -3.34 115.95 112.60 1gql h TRP 471 Ca 0.01 -0.24 -0.43 0.00 1.13 0.00 0.00 58.89 59.36 1gql h TRP 471 Cb 0.63 -0.06 -0.37 0.00 -0.51 0.00 0.00 29.16 28.85 1gql h TRP 471 CO 0.00 1.03 -0.71 0.34 -1.03 0.00 0.00 178.44 178.08 1gql s ASP 472 N -6.54 2.55 0.00 2.65 -1.08 -0.22 -0.76 116.67 113.28 1gql s ASP 472 Ca -0.14 -0.92 0.09 0.00 -0.52 0.00 0.00 52.55 51.06 1gql s ASP 472 Cb 0.03 0.03 0.42 0.00 -1.46 0.00 0.00 42.92 41.94 1gql s ASP 472 CO 0.79 -0.40 1.28 0.00 0.52 0.00 0.00 175.17 177.35 1gql n HIS 473 N 5.28 0.00 1.29 -5.34 1.44 -0.72 -1.45 115.22 115.72 1gql n HIS 473 Ca -0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.79 1gql n HIS 473 Cb 0.45 -0.45 0.38 0.00 0.12 0.00 0.00 29.99 30.49 1gql n HIS 473 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gql n GLN 474 N -1.45 1.16 -2.02 -1.40 6.02 -1.26 -4.79 117.38 113.64 1gql n GLN 474 Ca 0.03 -0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 55.88 1gql n GLN 474 Cb 0.10 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 1gql n GLN 474 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gql s ILE 475 N -2.34 2.76 0.57 5.09 1.01 -0.53 -4.98 121.20 122.78 1gql s ILE 475 Ca 0.28 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 1gql s ILE 475 Cb 0.20 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1gql s ILE 475 CO 0.46 0.08 0.92 -0.94 0.00 0.00 0.00 174.94 175.46 1gql s SER 476 N 0.67 6.11 0.28 3.58 1.04 -1.26 -4.88 113.70 119.24 1gql s SER 476 Ca 0.63 1.12 -0.03 0.00 0.48 0.00 0.00 55.95 58.15 1gql s SER 476 Cb -0.41 -2.25 0.40 0.00 0.10 0.00 0.00 66.02 63.85 1gql s SER 476 CO 0.38 -0.81 1.94 0.00 0.98 0.00 0.00 173.24 175.73 1gql h ALA 477 N -0.11 1.35 -0.44 5.32 0.00 -1.94 -1.99 119.26 121.45 1gql h ALA 477 Ca -0.45 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1gql h ALA 477 Cb 1.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1gql h ALA 477 CO 0.62 0.57 0.13 0.00 0.00 0.00 0.00 179.25 180.56 1gql h ALA 478 N 1.43 0.57 -0.26 0.00 0.00 -1.94 -1.00 119.26 118.07 1gql h ALA 478 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1gql h ALA 478 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1gql h ALA 478 CO -0.06 0.23 0.13 1.15 0.00 0.00 0.00 179.25 180.71 1gql h THR 479 N 0.57 1.13 -0.73 0.00 2.02 -1.86 -0.35 112.91 113.69 1gql h THR 479 Ca 0.14 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 1gql h THR 479 Cb 0.28 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1gql h THR 479 CO -0.00 0.13 0.27 0.00 0.37 0.00 0.00 175.52 176.29 1gql h ALA 480 N 1.00 1.09 -0.61 6.16 0.00 -1.30 -1.73 119.26 123.87 1gql h ALA 480 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1gql h ALA 480 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1gql h ALA 480 CO -0.01 0.64 0.04 0.00 0.00 0.00 0.00 179.25 179.91 1gql h ALA 481 N 1.22 0.91 -0.33 0.00 0.00 -0.90 -0.59 119.26 119.57 1gql h ALA 481 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gql h ALA 481 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gql h ALA 481 CO -0.02 0.66 0.19 0.22 0.00 0.00 0.00 179.25 180.30 1gql h ASP 482 N 0.96 0.39 -0.36 0.00 3.58 -0.64 0.22 116.42 120.59 1gql h ASP 482 Ca 0.18 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1gql h ASP 482 Cb 0.50 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1gql h ASP 482 CO 0.02 0.34 0.16 -0.33 -2.88 0.00 0.00 179.24 176.55 1gql h GLU 483 N 0.42 0.52 -0.56 0.28 5.08 -1.11 -2.44 114.58 116.77 1gql h GLU 483 Ca 0.12 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1gql h GLU 483 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1gql h GLU 483 CO -0.02 0.49 -0.04 2.35 -1.00 0.00 0.00 179.01 180.79 1gql h TRP 484 N 0.43 1.10 -0.39 4.33 7.01 -0.85 -0.57 115.95 127.02 1gql h TRP 484 Ca 0.12 -0.20 -0.05 0.00 2.11 0.00 0.00 58.89 60.88 1gql h TRP 484 Cb 0.15 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 1gql h TRP 484 CO -0.01 0.99 0.07 -0.07 -2.79 0.00 0.00 178.44 176.63 1gql h LEU 485 N 0.91 0.62 -0.67 0.65 3.38 -0.87 0.86 115.31 120.19 1gql h LEU 485 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1gql h LEU 485 Cb 0.58 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1gql h LEU 485 CO 0.03 0.72 0.44 0.03 0.09 0.00 0.00 178.44 179.75 1gql h ARG 486 N 0.49 0.85 -0.03 1.13 3.08 -1.11 0.56 114.38 119.37 1gql h ARG 486 Ca 0.12 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1gql h ARG 486 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1gql h ARG 486 CO 0.01 0.57 -0.78 0.52 -1.07 0.00 0.00 179.97 179.21 1gql h MET 487 N 0.88 0.23 0.01 0.04 2.86 -0.87 -3.33 114.93 114.74 1gql h MET 487 Ca 0.25 -0.21 -0.35 0.00 -2.06 0.00 0.00 59.70 57.33 1gql h MET 487 Cb -0.07 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 1gql h MET 487 CO -0.07 0.89 -2.20 2.41 1.06 0.00 0.00 176.91 179.01 1gql n THR 488 N -3.74 1.48 0.08 2.22 -1.04 0.27 -4.33 114.28 109.22 1gql n THR 488 Ca -0.03 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 1gql n THR 488 Cb 0.74 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1gql n THR 488 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gql n PHE 489 N -2.92 -1.02 -3.60 -1.42 3.72 0.12 -5.02 117.46 107.31 1gql n PHE 489 Ca -0.30 0.18 -0.09 0.00 -0.05 0.00 0.00 57.45 57.19 1gql n PHE 489 Cb 1.11 0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 39.86 1gql n PHE 489 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gql s SER 490 N -5.45 -0.32 0.00 4.37 0.15 -0.75 -4.88 113.70 106.81 1gql s SER 490 Ca 0.00 0.44 0.22 0.00 0.70 0.00 0.00 55.95 57.31 1gql s SER 490 Cb 0.00 0.39 0.52 0.00 -1.71 0.00 0.00 66.02 65.22 1gql s SER 490 CO 0.00 -0.24 1.45 0.59 1.20 0.00 0.00 173.24 176.24 1gql n ASN 491 N 1.11 3.18 -4.66 5.45 3.02 -1.26 -3.61 115.26 118.49 1gql n ASN 491 Ca -0.09 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 1gql n ASN 491 Cb 0.57 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 1gql n ASN 491 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gql s GLN 492 N -1.41 4.21 0.47 3.52 -1.52 -1.26 -4.90 119.66 118.76 1gql s GLN 492 Ca 0.39 2.04 0.14 0.00 -1.95 0.00 0.00 55.36 55.99 1gql s GLN 492 Cb 0.22 -3.87 1.12 0.00 -0.22 0.00 0.00 33.01 30.26 1gql s GLN 492 CO 0.30 -0.77 2.07 -1.35 -0.25 0.00 0.00 175.29 175.28 1gql h PRO 493 N 8.95 0.23 0.00 2.91 0.11 -1.99 -1.19 132.00 141.02 1gql h PRO 493 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1gql h PRO 493 Cb 1.16 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1gql h PRO 493 CO 0.95 0.16 -0.16 0.00 -0.21 0.00 0.00 178.00 178.73 1gql h ALA 494 N 1.83 1.13 0.01 -0.75 0.00 -2.01 -2.57 119.26 116.90 1gql h ALA 494 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1gql h ALA 494 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gql h ALA 494 CO -0.03 0.20 -0.51 0.35 0.00 0.00 0.00 179.25 179.27 1gql h PHE 495 N 0.00 0.04 -0.22 0.00 3.57 -1.70 -3.39 116.94 115.24 1gql h PHE 495 Ca -0.00 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.51 1gql h PHE 495 Cb 0.53 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1gql h PHE 495 CO 0.00 1.20 -0.08 0.82 -2.23 0.00 0.00 178.31 178.02 1gql h ILE 496 N -0.94 0.73 0.79 1.41 2.04 -1.13 -2.64 117.51 117.76 1gql h ILE 496 Ca -0.13 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1gql h ILE 496 Cb 1.16 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1gql h ILE 496 CO -0.06 0.00 -0.38 -0.08 0.00 0.00 0.00 178.15 177.63 1gql h GLU 497 N -0.04 -1.03 -0.45 2.37 4.57 -1.69 0.17 114.58 118.49 1gql h GLU 497 Ca 0.11 0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1gql h GLU 497 Cb 0.20 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1gql h GLU 497 CO -0.25 -0.68 -0.01 -1.00 -1.18 0.00 0.00 179.01 175.89 1gql h PRO 498 N -1.07 0.75 -0.23 0.92 0.13 -1.75 -1.95 132.00 128.79 1gql h PRO 498 Ca -0.11 -0.20 -0.15 0.00 -0.87 0.00 0.00 66.00 64.67 1gql h PRO 498 Cb 0.82 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1gql h PRO 498 CO 0.18 0.76 -0.48 0.28 -0.23 0.00 0.00 178.00 178.51 1gql h VAL 499 N 0.70 1.31 -0.50 1.56 2.07 -1.37 -0.58 116.25 119.44 1gql h VAL 499 Ca 0.14 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1gql h VAL 499 Cb 0.44 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1gql h VAL 499 CO 0.02 0.53 0.32 0.50 0.02 0.00 0.00 177.57 178.97 1gql h LYS 500 N 0.49 0.66 -0.55 1.57 3.64 -0.46 -0.09 116.57 121.83 1gql h LYS 500 Ca 0.03 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1gql h LYS 500 Cb 1.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1gql h LYS 500 CO 0.10 0.44 -0.08 1.96 -2.27 0.00 0.00 179.45 179.60 1gql h GLN 501 N 0.67 1.02 -0.40 1.90 1.08 -1.11 0.41 115.11 118.68 1gql h GLN 501 Ca 0.18 -0.36 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1gql h GLN 501 Cb -0.06 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.25 1gql h GLN 501 CO -0.04 1.05 0.17 1.98 -0.95 0.00 0.00 178.83 181.04 1gql h MET 502 N 0.91 0.35 -0.62 1.46 4.05 -0.82 -1.09 114.93 119.16 1gql h MET 502 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1gql h MET 502 Cb 0.64 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 1gql h MET 502 CO 0.04 0.23 0.39 0.52 0.23 0.00 0.00 176.91 178.32 1gql h MET 503 N 0.36 0.84 -0.02 0.39 2.86 -0.58 -1.96 114.93 116.82 1gql h MET 503 Ca 0.18 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1gql h MET 503 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1gql h MET 503 CO -0.15 0.58 -0.33 -0.07 1.06 0.00 0.00 176.91 178.00 1gql h LEU 504 N 0.85 0.03 0.00 1.22 3.38 -0.34 -2.62 115.31 117.82 1gql h LEU 504 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1gql h LEU 504 Cb -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gql h LEU 504 CO -0.05 0.35 -0.62 1.62 0.09 0.00 0.00 178.44 179.84 1gql h VAL 505 N 0.03 0.00 -0.92 1.22 3.04 -1.05 -3.39 116.25 115.17 1gql h VAL 505 Ca 0.00 -0.97 0.08 0.00 -1.01 0.00 0.00 66.70 64.80 1gql h VAL 505 Cb 0.59 1.66 -0.06 0.00 -2.01 0.00 0.00 31.29 31.46 1gql h VAL 505 CO 0.04 0.00 0.60 0.77 -1.01 0.00 0.00 177.57 177.97 1gql h SER 506 N 0.00 0.90 0.00 3.17 4.64 -0.95 0.42 113.55 121.72 1gql h SER 506 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1gql h SER 506 Cb 0.99 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1gql h SER 506 CO 0.00 0.55 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.42 1gql h ARG 507 N 1.01 -0.00 -0.63 4.77 1.12 -1.72 -2.24 114.38 116.69 1gql h ARG 507 Ca 0.41 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.22 1gql h ARG 507 Cb 0.28 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.21 1gql h ARG 507 CO -0.17 0.03 0.16 1.49 -3.11 0.00 0.00 179.97 178.37 1gql h GLU 508 N -0.04 0.98 -0.69 0.20 4.57 -1.50 -1.70 114.58 116.41 1gql h GLU 508 Ca -0.00 -0.22 0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1gql h GLU 508 Cb 0.04 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.42 1gql h GLU 508 CO 0.00 0.87 0.32 0.00 -1.18 0.00 0.00 179.01 179.02 1gql h ALA 509 N 1.23 0.94 -0.17 2.92 0.00 -0.78 0.86 119.26 124.25 1gql h ALA 509 Ca 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1gql h ALA 509 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1gql h ALA 509 CO -0.00 -0.10 0.04 0.78 0.00 0.00 0.00 179.25 179.97 1gql h GLY 510 N 0.54 0.25 0.42 0.00 0.00 -0.72 -1.40 103.07 102.17 1gql h GLY 510 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1gql h GLY 510 CO -0.29 0.11 -0.04 -2.08 0.00 0.00 0.00 176.54 174.24 1gql h VAL 511 N 0.24 1.48 -0.62 4.60 2.07 -0.65 -3.31 116.25 120.06 1gql h VAL 511 Ca 0.06 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1gql h VAL 511 Cb 0.10 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1gql h VAL 511 CO -0.00 0.39 0.38 0.78 0.02 0.00 0.00 177.57 179.13 1gql h ASN 512 N -0.55 0.74 -0.00 0.57 -0.26 -0.01 0.96 115.58 117.02 1gql h ASN 512 Ca -0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1gql h ASN 512 Cb 0.66 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1gql h ASN 512 CO 0.01 0.58 -0.00 0.00 -1.06 0.00 0.00 177.43 176.96 1gql n TYR 513 N -4.60 0.00 -0.05 1.19 0.18 -0.61 -3.30 117.16 109.97 1gql n TYR 513 Ca 0.05 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.72 1gql n TYR 513 Cb 0.05 -0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.98 1gql n TYR 513 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1gql n ARG 514 N -0.59 0.22 -2.71 -3.48 1.74 -0.94 -3.86 116.66 107.04 1gql n ARG 514 Ca 0.22 0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 57.35 1gql n ARG 514 Cb 0.20 -0.87 0.04 0.00 -1.02 0.00 0.00 32.46 30.81 1gql n ARG 514 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1gql n SER 515 N -3.52 -2.18 -4.38 0.55 3.41 0.29 -4.88 113.62 102.90 1gql n SER 515 Ca -0.18 -2.11 -0.30 0.00 -0.26 0.00 0.00 58.87 56.02 1gql n SER 515 Cb 0.58 1.19 0.16 0.00 -0.26 0.00 0.00 64.21 65.88 1gql n SER 515 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gql s PRO 516 N 0.67 1.06 -1.45 4.33 0.04 -1.15 -4.19 135.00 134.31 1gql s PRO 516 Ca 0.27 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1gql s PRO 516 Cb 0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1gql s PRO 516 CO -0.12 -2.16 0.00 1.28 0.04 0.00 0.00 177.00 176.04 1gql n LEU 517 N -3.63 -0.90 0.00 -3.56 4.77 -1.26 -1.46 117.00 110.96 1gql n LEU 517 Ca 0.13 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1gql n LEU 517 Cb 0.60 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.45 1gql n LEU 517 CO 0.49 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1gql n GLY 518 N -0.91 0.59 3.69 -0.72 0.00 -1.16 -1.13 105.19 105.56 1gql n GLY 518 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1gql n GLY 518 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gql s LEU 519 N 0.00 2.91 0.02 0.99 1.43 -0.54 -3.44 118.68 120.05 1gql s LEU 519 Ca 0.00 2.13 -0.28 0.00 -1.03 0.00 0.00 54.13 54.96 1gql s LEU 519 Cb 0.00 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.76 1gql s LEU 519 CO 0.00 -2.87 0.85 0.28 0.23 0.00 0.00 176.35 174.84 1gql s THR 520 N -2.66 0.00 -1.29 5.49 -1.32 -1.26 -4.63 115.64 109.96 1gql s THR 520 Ca 0.66 -0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 61.08 1gql s THR 520 Cb -0.22 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 1gql s THR 520 CO 0.57 0.00 1.12 1.57 -2.21 0.00 0.00 174.62 175.66 1gql n HIS 521 N -0.26 -2.63 -0.45 9.09 -0.00 -1.26 -4.72 115.22 114.98 1gql n HIS 521 Ca -0.10 0.98 0.09 0.00 -0.00 0.00 0.00 57.72 58.70 1gql n HIS 521 Cb 0.62 -5.03 0.34 0.00 -0.00 0.00 0.00 29.99 25.92 1gql n HIS 521 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gql n LEU 522 N -4.68 4.46 -4.85 0.27 4.77 -1.26 -4.12 117.00 111.58 1gql n LEU 522 Ca -0.09 -2.25 -0.31 0.00 -0.03 0.00 0.00 56.01 53.33 1gql n LEU 522 Cb 0.60 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1gql n LEU 522 CO 0.63 0.79 0.62 -0.31 -1.33 0.00 0.00 177.39 177.79 1gql s TYR 523 N -1.75 3.48 0.23 -1.77 1.51 -1.26 -0.31 117.35 117.48 1gql s TYR 523 Ca 0.48 1.33 -0.31 0.00 -1.01 0.00 0.00 57.07 57.56 1gql s TYR 523 Cb 0.31 -2.69 -0.13 0.00 -0.11 0.00 0.00 41.96 39.34 1gql s TYR 523 CO 0.24 -0.33 1.48 0.45 -1.11 0.00 0.00 175.55 176.28 1gql n SER 524 N -1.63 3.04 -4.69 2.29 2.88 0.18 -4.31 113.62 111.37 1gql n SER 524 Ca 0.05 1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 58.38 1gql n SER 524 Cb 0.54 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.45 1gql n SER 524 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1gql s GLN 525 N -0.16 2.99 0.00 -1.46 -1.52 -1.26 -0.69 119.66 117.56 1gql s GLN 525 Ca 0.69 -0.41 0.21 0.00 -1.95 0.00 0.00 55.36 53.90 1gql s GLN 525 Cb -0.62 -2.80 0.45 0.00 -0.22 0.00 0.00 33.01 29.81 1gql s GLN 525 CO 0.47 0.70 1.39 0.41 -0.25 0.00 0.00 175.29 178.01 1gql n GLY 526 N 2.05 1.92 0.11 3.09 0.00 -1.26 -4.87 105.19 106.22 1gql n GLY 526 Ca -0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1gql n GLY 526 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1gql h ASP 527 N 4.06 0.00 -0.67 1.61 2.03 -1.97 -3.45 116.42 118.03 1gql h ASP 527 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1gql h ASP 527 Cb 0.94 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.32 1gql h ASP 527 CO 0.00 0.74 -0.26 1.41 -1.03 0.00 0.00 179.24 180.10 1gql n HIS 528 N -3.48 -0.00 -0.01 4.15 8.25 0.13 -4.94 115.22 119.32 1gql n HIS 528 Ca -0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1gql n HIS 528 Cb 0.76 -2.49 -0.14 0.00 1.12 0.00 0.00 29.99 29.25 1gql n HIS 528 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gql h TYR 529 N 0.00 0.35 -4.49 4.41 3.20 -1.85 -3.44 116.97 115.15 1gql h TYR 529 Ca -0.29 -0.26 -0.27 0.00 3.14 0.00 0.00 58.73 61.06 1gql h TYR 529 Cb 0.91 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 1gql h TYR 529 CO 0.39 1.44 -0.19 0.41 -1.64 0.00 0.00 178.16 178.58 1gql n GLY 530 N 1.68 3.79 3.77 1.82 0.00 -1.26 -4.87 105.19 110.12 1gql n GLY 530 Ca -0.22 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.14 1gql n GLY 530 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gql s PRO 531 N -2.79 4.48 -0.45 1.61 0.04 -1.26 -0.65 135.00 135.98 1gql s PRO 531 Ca 0.02 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1gql s PRO 531 Cb -0.00 -2.95 0.30 0.00 0.04 0.00 0.00 34.50 31.89 1gql s PRO 531 CO 0.01 0.10 0.99 0.00 0.04 0.00 0.00 177.00 178.14 1gql n ALA 532 N 0.73 -0.45 0.40 8.56 0.00 0.57 -4.35 120.51 125.97 1gql n ALA 532 Ca 0.01 -1.78 0.07 0.00 0.00 0.00 0.00 53.44 51.75 1gql n ALA 532 Cb 0.47 -1.16 0.31 0.00 0.00 0.00 0.00 19.45 19.07 1gql n ALA 532 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gql n PRO 533 N 0.73 0.04 0.01 0.00 -0.04 -1.08 -1.65 135.00 133.01 1gql n PRO 533 Ca 0.10 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1gql n PRO 533 Cb 0.67 -1.59 0.47 0.00 -0.04 0.00 0.00 33.50 33.02 1gql n PRO 533 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gql n TRP 534 N -1.67 0.10 -1.68 0.54 2.14 -1.26 -4.17 117.44 111.44 1gql n TRP 534 Ca 0.03 0.03 -0.53 0.00 2.07 0.00 0.00 57.50 59.10 1gql n TRP 534 Cb 0.15 -0.47 -0.06 0.00 -0.81 0.00 0.00 31.31 30.12 1gql n TRP 534 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 1gql n THR 535 N -1.59 0.32 -4.05 -1.67 -1.04 -0.66 -4.76 114.28 100.83 1gql n THR 535 Ca 0.06 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1gql n THR 535 Cb 0.35 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.41 1gql n THR 535 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1gql n ASP 536 N 5.18 -1.01 -3.68 8.00 -0.08 -1.26 -1.69 116.55 122.01 1gql n ASP 536 Ca 0.23 -2.66 -0.28 0.00 -1.51 0.00 0.00 54.79 50.58 1gql n ASP 536 Cb 0.21 1.96 0.04 0.00 2.34 0.00 0.00 41.12 45.66 1gql n ASP 536 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1gql n ASP 537 N -1.76 -4.06 -4.73 1.67 8.00 -1.26 -5.01 116.55 109.41 1gql n ASP 537 Ca 0.02 -0.96 -0.23 0.00 0.71 0.00 0.00 54.79 54.34 1gql n ASP 537 Cb 0.50 -3.61 -0.06 0.00 -0.02 0.00 0.00 41.12 37.93 1gql n ASP 537 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gql s LEU 538 N -6.48 3.39 0.47 0.64 1.43 -1.26 -5.03 118.68 111.84 1gql s LEU 538 Ca 0.33 -0.58 0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1gql s LEU 538 Cb -0.11 -1.91 1.19 0.00 0.03 0.00 0.00 46.19 45.39 1gql s LEU 538 CO 0.85 -0.14 1.95 -0.65 0.23 0.00 0.00 176.35 178.59 1gql h PRO 539 N 1.63 0.24 -5.10 1.29 0.11 -2.01 -3.36 132.00 124.80 1gql h PRO 539 Ca -0.45 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 1gql h PRO 539 Cb 1.25 -0.05 -0.34 0.00 0.11 0.00 0.00 31.00 31.96 1gql h PRO 539 CO 0.61 0.16 -0.86 -0.98 -0.21 0.00 0.00 178.00 176.72 1gql s ARG 540 N -5.25 2.87 0.34 1.05 1.70 -1.26 -5.02 118.95 113.39 1gql s ARG 540 Ca -0.07 -0.80 0.06 0.00 -0.47 0.00 0.00 55.73 54.46 1gql s ARG 540 Cb 0.20 -2.36 0.73 0.00 -0.57 0.00 0.00 34.95 32.96 1gql s ARG 540 CO 0.75 -0.05 1.89 0.00 -1.08 0.00 0.00 175.30 176.81 1gql h ALA 541 N 7.43 1.72 0.00 7.88 0.00 -1.91 -1.40 119.26 132.98 1gql h ALA 541 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1gql h ALA 541 Cb 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gql h ALA 541 CO 0.55 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1gql n ASP 542 N -4.54 0.00 -0.79 0.00 5.68 -1.26 -1.45 116.55 114.19 1gql n ASP 542 Ca 0.16 -0.39 0.12 0.00 -0.50 0.00 0.00 54.79 54.18 1gql n ASP 542 Cb 0.37 -0.04 0.07 0.00 -1.14 0.00 0.00 41.12 40.38 1gql n ASP 542 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1gql n TRP 543 N -1.04 0.00 -2.44 2.11 7.02 -0.53 -5.00 117.44 117.56 1gql n TRP 543 Ca 0.10 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.34 1gql n TRP 543 Cb 0.06 -0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.04 1gql n TRP 543 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1gql s THR 544 N -2.17 2.25 -0.17 -0.99 -4.23 -0.53 -4.95 115.64 104.86 1gql s THR 544 Ca 0.25 -0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.19 1gql s THR 544 Cb 0.19 -2.78 -0.23 0.00 1.34 0.00 0.00 72.50 71.02 1gql s THR 544 CO 0.40 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.70 1gql n ALA 545 N -2.87 0.94 0.24 3.99 0.00 -0.68 -4.34 120.51 117.79 1gql n ALA 545 Ca 0.12 -0.65 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1gql n ALA 545 Cb 0.60 -0.54 0.61 0.00 0.00 0.00 0.00 19.45 20.12 1gql n ALA 545 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1gql h VAL 546 N -0.24 1.02 -0.99 0.00 -1.51 -1.62 -1.36 116.25 111.54 1gql h VAL 546 Ca -0.44 -0.08 0.16 0.00 -1.23 0.00 0.00 66.70 65.11 1gql h VAL 546 Cb 1.83 1.00 -0.10 0.00 -2.13 0.00 0.00 31.29 31.89 1gql h VAL 546 CO -0.03 0.03 0.61 0.22 -1.23 0.00 0.00 177.57 177.16 1gql h TYR 547 N 0.04 1.08 0.17 5.19 5.03 -1.81 -1.86 116.97 124.81 1gql h TYR 547 Ca 0.01 0.03 -0.28 0.00 2.58 0.00 0.00 58.73 61.07 1gql h TYR 547 Cb 0.03 -0.33 0.02 0.00 1.55 0.00 0.00 36.73 37.99 1gql h TYR 547 CO 0.00 0.32 -1.33 1.88 -1.32 0.00 0.00 178.16 177.70 1gql h TYR 548 N 0.85 0.65 0.03 -3.82 0.05 -1.48 -3.40 116.97 109.85 1gql h TYR 548 Ca 0.54 -0.47 -0.29 0.00 0.05 0.00 0.00 58.73 58.56 1gql h TYR 548 Cb 0.72 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.40 1gql h TYR 548 CO -0.01 1.52 -1.59 1.12 -1.05 0.00 0.00 178.16 178.15 1gql h HIS 549 N -0.14 0.12 -5.52 4.88 2.07 -1.47 -3.39 115.15 111.70 1gql h HIS 549 Ca -0.26 -0.09 -0.39 0.00 -2.85 0.00 0.00 60.37 56.78 1gql h HIS 549 Cb 1.89 -0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.78 1gql h HIS 549 CO 0.14 1.14 -0.58 0.54 -3.07 0.00 0.00 177.93 176.10 1gql n ARG 550 N -3.21 -3.53 -2.04 5.12 1.74 -0.71 -0.63 116.66 113.41 1gql n ARG 550 Ca -0.15 0.49 -0.41 0.00 -0.77 0.00 0.00 57.85 57.01 1gql n ARG 550 Cb 1.03 -5.22 -0.02 0.00 -1.02 0.00 0.00 32.46 27.24 1gql n ARG 550 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gql s ALA 551 N -2.98 3.52 0.31 7.54 0.00 -1.26 -4.51 121.76 124.38 1gql s ALA 551 Ca 0.43 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1gql s ALA 551 Cb -0.23 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1gql s ALA 551 CO 0.53 -0.75 0.35 -1.13 0.00 0.00 0.00 175.76 174.76 1gql n SER 552 N 0.72 -0.94 0.27 0.00 3.41 -0.06 -5.01 113.62 112.01 1gql n SER 552 Ca 0.00 -2.87 0.10 0.00 -0.26 0.00 0.00 58.87 55.85 1gql n SER 552 Cb 0.41 1.92 0.71 0.00 -0.26 0.00 0.00 64.21 66.99 1gql n SER 552 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1gql h LYS 553 N 0.00 0.00 0.00 4.33 1.63 -1.88 -3.11 116.57 117.54 1gql h LYS 553 Ca -0.23 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.46 1gql h LYS 553 Cb 1.09 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1gql h LYS 553 CO 0.32 0.04 -1.95 0.25 -3.45 0.00 0.00 179.45 174.66 1gql n THR 554 N -4.24 0.54 -3.58 1.00 -2.24 -1.26 -4.78 114.28 99.72 1gql n THR 554 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1gql n THR 554 Cb 0.12 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1gql n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gql n GLY 555 N 1.39 1.01 3.39 3.38 0.00 -1.17 -1.79 105.19 111.40 1gql n GLY 555 Ca -0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1gql n GLY 555 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gql s ILE 556 N -2.37 0.03 0.00 -0.61 2.07 -0.14 -0.88 121.20 119.30 1gql s ILE 556 Ca 0.00 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.00 1gql s ILE 556 Cb 0.00 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.56 1gql s ILE 556 CO 0.00 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.51 1gql n GLY 557 N 0.07 2.55 3.12 1.50 0.00 0.20 -0.17 105.19 112.47 1gql n GLY 557 Ca -0.17 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1gql n GLY 557 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gql s PHE 558 N -2.33 2.66 -0.52 1.61 2.19 -0.79 -4.34 117.98 116.48 1gql s PHE 558 Ca 0.00 -1.51 -0.28 0.00 0.33 0.00 0.00 56.93 55.47 1gql s PHE 558 Cb 0.00 -1.84 0.03 0.00 -1.31 0.00 0.00 43.02 39.90 1gql s PHE 558 CO 0.00 -0.74 1.10 1.21 1.83 0.00 0.00 175.22 178.62 1gql s ASN 559 N 1.19 6.52 -0.11 6.13 2.47 -1.26 -2.39 114.94 127.48 1gql s ASN 559 Ca 0.02 0.20 0.14 0.00 0.42 0.00 0.00 52.86 53.65 1gql s ASN 559 Cb -0.14 -2.52 0.36 0.00 -1.45 0.00 0.00 41.25 37.50 1gql s ASN 559 CO -0.10 -1.29 1.26 0.54 -3.72 0.00 0.00 177.10 173.79 1gql n ARG 560 N 7.89 2.42 -1.94 0.43 1.74 -0.05 -1.56 116.66 125.59 1gql n ARG 560 Ca 0.09 -2.47 -0.24 0.00 -0.77 0.00 0.00 57.85 54.46 1gql n ARG 560 Cb 0.49 -1.54 0.15 0.00 -1.02 0.00 0.00 32.46 30.54 1gql n ARG 560 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gql n THR 561 N -0.64 0.00 -0.08 0.55 -2.24 -1.23 -1.82 114.28 108.82 1gql n THR 561 Ca 0.16 -1.07 0.26 0.00 -2.27 0.00 0.00 64.05 61.12 1gql n THR 561 Cb 0.66 -1.33 0.72 0.00 -2.10 0.00 0.00 70.33 68.28 1gql n THR 561 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1gql h LYS 562 N 0.00 0.00 -0.01 -0.78 1.57 -1.95 0.65 116.57 116.05 1gql h LYS 562 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1gql h LYS 562 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1gql h LYS 562 CO 0.29 0.00 -0.10 0.25 -0.57 0.00 0.00 179.45 179.32 1gql n THR 563 N -4.04 0.00 0.00 -0.16 -2.24 -1.26 -4.70 114.28 101.89 1gql n THR 563 Ca 0.15 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1gql n THR 563 Cb 0.86 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1gql n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gql n GLY 564 N 1.23 1.92 0.01 3.38 0.00 0.08 -4.99 105.19 106.83 1gql n GLY 564 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1gql n GLY 564 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gql n SER 565 N 0.00 0.06 -2.98 1.61 3.41 -0.60 -4.86 113.62 110.27 1gql n SER 565 Ca 0.00 0.48 -0.21 0.00 -0.26 0.00 0.00 58.87 58.89 1gql n SER 565 Cb 0.00 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.46 1gql n SER 565 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gql n ASN 566 N -1.55 -4.76 0.27 4.04 5.15 -0.39 -4.87 115.26 113.16 1gql n ASN 566 Ca 0.07 -0.20 0.13 0.00 -0.60 0.00 0.00 54.58 53.98 1gql n ASN 566 Cb 0.35 -3.92 0.78 0.00 -0.53 0.00 0.00 39.78 36.46 1gql n ASN 566 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gql h ALA 567 N 0.99 1.36 0.00 5.20 0.00 -1.64 -2.42 119.26 122.75 1gql h ALA 567 Ca -0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1gql h ALA 567 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1gql h ALA 567 CO 0.51 0.10 -0.02 -0.07 0.00 0.00 0.00 179.25 179.78 1gql h LEU 568 N 0.00 0.00 0.00 0.00 3.38 -1.69 -0.83 115.31 116.17 1gql h LEU 568 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gql h LEU 568 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1gql h LEU 568 CO 0.01 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1gql n ALA 569 N -2.45 1.65 1.13 1.53 0.00 -0.91 -1.81 120.51 119.65 1gql n ALA 569 Ca -0.03 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.50 1gql n ALA 569 Cb 0.10 -1.22 0.64 0.00 0.00 0.00 0.00 19.45 18.97 1gql n ALA 569 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1gql n GLN 570 N -1.47 0.14 -3.97 0.00 6.02 -0.32 -4.86 117.38 112.93 1gql n GLN 570 Ca 0.04 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.81 1gql n GLN 570 Cb 0.15 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1gql n GLN 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1gql s TYR 571 N -2.87 3.25 0.54 1.08 2.02 -0.75 -4.86 117.35 115.76 1gql s TYR 571 Ca 0.18 -0.09 -0.21 0.00 -0.37 0.00 0.00 57.07 56.58 1gql s TYR 571 Cb 0.19 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 40.13 1gql s TYR 571 CO 0.52 0.41 1.17 -2.30 -1.57 0.00 0.00 175.55 173.78 1gql n PRO 572 N -1.34 1.40 -0.29 -1.71 -0.02 -1.26 -4.59 135.00 127.18 1gql n PRO 572 Ca -0.07 0.52 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1gql n PRO 572 Cb 0.58 -2.35 0.26 0.00 -0.02 0.00 0.00 33.50 31.97 1gql n PRO 572 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gql h GLU 573 N 1.18 0.43 -0.17 -0.52 4.22 -1.93 -0.15 114.58 117.65 1gql h GLU 573 Ca -0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 58.91 1gql h GLU 573 Cb 1.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1gql h GLU 573 CO 0.55 0.28 0.04 -1.35 -2.18 0.00 0.00 179.01 176.36 1gql h PRO 574 N 0.44 0.24 -0.05 0.92 0.11 -1.89 0.94 132.00 132.71 1gql h PRO 574 Ca 0.51 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.52 1gql h PRO 574 Cb 0.89 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1gql h PRO 574 CO -0.48 0.22 -0.26 0.82 -0.21 0.00 0.00 178.00 178.10 1gql h ILE 575 N 0.24 1.46 -0.96 4.15 1.08 -1.34 -1.84 117.51 120.29 1gql h ILE 575 Ca 0.06 -1.73 0.08 0.00 -0.39 0.00 0.00 64.86 62.89 1gql h ILE 575 Cb 0.10 2.44 -0.07 0.00 -3.07 0.00 0.00 36.82 36.21 1gql h ILE 575 CO -0.00 0.49 0.62 0.00 -0.69 0.00 0.00 178.15 178.56 1gql h ALA 576 N 0.39 1.50 0.01 1.87 0.00 -0.85 0.17 119.26 122.35 1gql h ALA 576 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gql h ALA 576 Cb 0.92 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gql h ALA 576 CO 0.05 0.33 -0.00 -0.22 0.00 0.00 0.00 179.25 179.40 1gql h LYS 577 N 1.05 -0.01 -0.57 0.00 3.64 -0.85 -0.93 116.57 118.90 1gql h LYS 577 Ca 0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1gql h LYS 577 Cb 0.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1gql h LYS 577 CO -0.19 0.35 0.23 0.00 -2.27 0.00 0.00 179.45 177.57 1gql h ALA 578 N 0.61 0.74 0.00 5.00 0.00 -1.01 -2.62 119.26 121.99 1gql h ALA 578 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1gql h ALA 578 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gql h ALA 578 CO 0.00 0.36 -0.59 -1.49 0.00 0.00 0.00 179.25 177.53 1gql h TRP 579 N 0.79 0.00 0.00 0.00 6.55 -1.02 -2.48 115.95 119.79 1gql h TRP 579 Ca 0.19 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.03 1gql h TRP 579 Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1gql h TRP 579 CO 0.01 0.29 -0.06 0.78 -1.05 0.00 0.00 178.44 178.41 1gql h GLY 580 N 3.76 0.00 -6.95 1.49 0.00 -1.03 -3.43 103.07 96.91 1gql h GLY 580 Ca -0.03 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.68 1gql h GLY 580 CO 0.03 0.00 -0.30 -0.35 0.00 0.00 0.00 176.54 175.93 1gql s ASP 581 N -5.75 6.28 0.63 0.19 -1.08 -1.00 -4.96 116.67 110.98 1gql s ASP 581 Ca 0.07 0.32 0.38 0.00 -0.52 0.00 0.00 52.55 52.81 1gql s ASP 581 Cb 0.07 -2.19 2.16 0.00 -1.46 0.00 0.00 42.92 41.50 1gql s ASP 581 CO 0.66 -0.08 2.32 -0.07 0.52 0.00 0.00 175.17 178.52 1gql h LEU 582 N 8.00 0.00 -0.84 -1.34 3.38 -1.87 -0.71 115.31 121.93 1gql h LEU 582 Ca -0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1gql h LEU 582 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1gql h LEU 582 CO 0.67 0.00 -0.25 -1.13 0.09 0.00 0.00 178.44 177.82 1gql h ASN 583 N 0.00 0.00 0.00 -0.43 -1.24 -1.93 -3.37 115.58 108.62 1gql h ASN 583 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1gql h ASN 583 Cb 0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1gql h ASN 583 CO 0.00 0.25 -0.53 -1.54 -1.29 0.00 0.00 177.43 174.32 1gql n SER 584 N -3.32 2.64 -4.73 1.15 3.41 -0.50 -5.04 113.62 107.22 1gql n SER 584 Ca 0.01 -0.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.97 1gql n SER 584 Cb 0.49 0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1gql n SER 584 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gql s VAL 585 N -1.52 2.38 0.29 -3.33 0.11 -0.39 -4.80 120.40 113.13 1gql s VAL 585 Ca 0.00 0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1gql s VAL 585 Cb 0.00 -3.19 -0.11 0.00 -1.53 0.00 0.00 36.38 31.56 1gql s VAL 585 CO 0.00 0.03 1.48 -2.84 -3.33 0.00 0.00 175.10 170.45 1gql s PRO 586 N 0.56 4.21 0.51 1.54 0.02 -1.26 -4.88 135.00 135.70 1gql s PRO 586 Ca 0.68 2.42 0.16 0.00 0.02 0.00 0.00 61.00 64.27 1gql s PRO 586 Cb -0.46 -3.06 1.25 0.00 0.02 0.00 0.00 34.50 32.25 1gql s PRO 586 CO 0.37 -0.48 2.14 0.93 -0.33 0.00 0.00 177.00 179.62 1gql h GLU 587 N 4.59 0.00 0.00 5.54 5.08 -1.96 -1.78 114.58 126.05 1gql h GLU 587 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1gql h GLU 587 Cb 1.22 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1gql h GLU 587 CO 0.76 0.01 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 1gql n ASP 588 N -4.52 0.00 0.00 1.42 5.68 -1.26 -2.42 116.55 115.44 1gql n ASP 588 Ca -0.03 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1gql n ASP 588 Cb 0.10 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1gql n ASP 588 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1gql n LEU 589 N -1.30 1.14 -0.24 -2.12 4.77 -0.71 -2.99 117.00 115.56 1gql n LEU 589 Ca 0.08 -1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 54.87 1gql n LEU 589 Cb 0.15 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1gql n LEU 589 CO 0.14 0.29 1.14 -0.29 -1.33 0.00 0.00 177.39 177.34 1gql h ILE 590 N 0.12 1.14 0.00 -0.08 2.10 -1.10 -1.40 117.51 118.29 1gql h ILE 590 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1gql h ILE 590 Cb 0.16 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.09 1gql h ILE 590 CO 0.00 0.16 0.00 0.18 -1.08 0.00 0.00 178.15 177.41 1gql n LEU 591 N -4.65 0.00 0.19 2.19 4.77 -0.28 -1.86 117.00 117.36 1gql n LEU 591 Ca 0.06 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1gql n LEU 591 Cb 0.04 -0.36 0.37 0.00 -2.33 0.00 0.00 43.42 41.14 1gql n LEU 591 CO 0.35 -0.13 0.72 -0.50 -1.33 0.00 0.00 177.39 176.49 1gql h TRP 592 N 0.00 0.00 0.00 -1.77 4.06 -1.27 -2.09 115.95 114.88 1gql h TRP 592 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1gql h TRP 592 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1gql h TRP 592 CO 0.00 0.38 -0.73 1.19 -3.56 0.00 0.00 178.44 175.72 1gql n PHE 593 N -3.97 0.00 -4.74 0.49 3.72 -0.89 -4.47 117.46 107.60 1gql n PHE 593 Ca -0.02 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1gql n PHE 593 Cb 0.42 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.81 1gql n PHE 593 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1gql s HIS 594 N -1.68 1.49 -0.32 1.38 3.76 -0.78 -0.87 115.29 118.26 1gql s HIS 594 Ca 0.00 -0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 54.38 1gql s HIS 594 Cb 0.00 -0.99 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 1gql s HIS 594 CO 0.00 -0.10 0.44 -1.58 -0.85 0.00 0.00 174.74 172.65 1gql s HIS 595 N -0.09 3.21 0.09 1.40 2.46 -1.26 -3.10 115.29 118.00 1gql s HIS 595 Ca 0.00 0.22 0.09 0.00 0.47 0.00 0.00 55.06 55.85 1gql s HIS 595 Cb -0.09 -2.76 -0.04 0.00 -0.13 0.00 0.00 32.58 29.57 1gql s HIS 595 CO 0.01 -0.42 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.12 1gql s LEU 596 N 2.21 2.42 0.52 8.88 1.43 0.76 -4.89 118.68 130.01 1gql s LEU 596 Ca 0.16 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.44 1gql s LEU 596 Cb -0.16 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 1gql s LEU 596 CO 0.12 0.21 1.18 -0.55 0.23 0.00 0.00 176.35 177.54 1gql s SER 597 N -1.77 5.76 0.62 2.29 0.15 -1.26 -0.97 113.70 118.52 1gql s SER 597 Ca 0.14 2.33 0.34 0.00 0.70 0.00 0.00 55.95 59.47 1gql s SER 597 Cb -0.10 -2.60 1.96 0.00 -1.71 0.00 0.00 66.02 63.57 1gql s SER 597 CO 0.06 -1.20 2.23 -0.50 1.20 0.00 0.00 173.24 175.03 1gql h TRP 598 N 1.52 0.00 -0.00 3.44 4.06 -1.70 -1.20 115.95 122.07 1gql h TRP 598 Ca -0.50 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.45 1gql h TRP 598 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 1gql h TRP 598 CO 0.51 0.00 -0.04 -0.25 -3.56 0.00 0.00 178.44 175.10 1gql n ASP 599 N -3.53 0.43 -4.67 -3.49 8.00 -1.26 -2.32 116.55 109.70 1gql n ASP 599 Ca -0.02 -0.86 -0.46 0.00 0.71 0.00 0.00 54.79 54.16 1gql n ASP 599 Cb 0.16 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1gql n ASP 599 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1gql n HIS 600 N -0.80 2.32 -3.13 1.24 -0.00 -0.46 -4.65 115.22 109.75 1gql n HIS 600 Ca 0.19 0.16 -0.39 0.00 -0.00 0.00 0.00 57.72 57.68 1gql n HIS 600 Cb 0.22 -2.59 -0.05 0.00 -0.00 0.00 0.00 29.99 27.57 1gql n HIS 600 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1gql s ARG 601 N 1.84 4.39 0.64 1.57 0.52 -1.26 -0.79 118.95 125.85 1gql s ARG 601 Ca 0.82 0.73 -0.02 0.00 -0.52 0.00 0.00 55.73 56.74 1gql s ARG 601 Cb -0.66 -3.46 0.06 0.00 0.52 0.00 0.00 34.95 31.40 1gql s ARG 601 CO 0.41 0.06 0.90 -1.64 0.02 0.00 0.00 175.30 175.05 1gql s MET 602 N 0.87 2.29 0.40 3.54 -1.94 0.30 -4.95 119.30 119.81 1gql s MET 602 Ca 0.33 -0.59 0.10 0.00 -1.71 0.00 0.00 55.69 53.82 1gql s MET 602 Cb -0.17 -2.33 0.89 0.00 2.01 0.00 0.00 34.83 35.23 1gql s MET 602 CO 0.15 -1.02 1.96 1.96 -0.01 0.00 0.00 175.02 178.06 1gql h GLN 603 N -0.28 0.56 0.00 2.03 4.20 -1.97 -0.52 115.11 119.12 1gql h GLN 603 Ca -0.43 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1gql h GLN 603 Cb 1.30 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1gql h GLN 603 CO 0.54 0.37 0.00 0.66 -0.67 0.00 0.00 178.83 179.73 1gql h SER 604 N 0.58 0.00 0.00 1.46 4.64 -2.01 -3.46 113.55 114.76 1gql h SER 604 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1gql h SER 604 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1gql h SER 604 CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 1gql n GLY 605 N -0.59 2.06 3.81 -0.77 0.00 -0.20 -5.06 105.19 104.43 1gql n GLY 605 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1gql n GLY 605 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gql s ARG 606 N -0.73 3.64 0.96 1.61 0.52 -1.26 -4.75 118.95 118.94 1gql s ARG 606 Ca 0.00 1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 56.31 1gql s ARG 606 Cb 0.00 -2.08 0.17 0.00 0.52 0.00 0.00 34.95 33.56 1gql s ARG 606 CO 0.00 -0.55 1.16 0.54 0.02 0.00 0.00 175.30 176.48 1gql s ASN 607 N -2.45 3.09 0.21 0.23 2.20 -1.26 -0.54 114.94 116.43 1gql s ASN 607 Ca 0.65 0.80 -0.08 0.00 -0.94 0.00 0.00 52.86 53.28 1gql s ASN 607 Cb -0.15 -1.24 0.16 0.00 -2.00 0.00 0.00 41.25 38.01 1gql s ASN 607 CO 0.28 -2.80 1.81 0.25 -2.94 0.00 0.00 177.10 173.70 1gql h LEU 608 N -1.67 1.04 -0.19 3.54 5.85 -0.55 0.13 115.31 123.45 1gql h LEU 608 Ca -0.49 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1gql h LEU 608 Cb 1.31 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1gql h LEU 608 CO 0.54 0.88 0.13 -0.25 -0.34 0.00 0.00 178.44 179.40 1gql h TRP 609 N 1.12 0.24 -0.81 1.25 2.91 -1.82 0.16 115.95 119.00 1gql h TRP 609 Ca 0.27 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.26 1gql h TRP 609 Cb 0.12 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.65 1gql h TRP 609 CO 0.01 0.16 0.34 1.96 -1.03 0.00 0.00 178.44 179.88 1gql h GLN 610 N 0.26 1.20 -0.63 2.65 4.20 -1.76 -1.46 115.11 119.57 1gql h GLN 610 Ca 0.07 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1gql h GLN 610 Cb -0.02 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1gql h GLN 610 CO -0.02 0.96 0.07 1.49 -0.67 0.00 0.00 178.83 180.66 1gql h GLU 611 N 1.17 1.06 -0.01 1.46 4.57 -0.54 -0.17 114.58 122.11 1gql h GLU 611 Ca 0.27 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1gql h GLU 611 Cb 0.19 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1gql h GLU 611 CO -0.03 1.00 0.01 1.25 -1.18 0.00 0.00 179.01 180.06 1gql h LEU 612 N 0.97 0.01 -0.59 1.64 6.46 -0.62 -0.23 115.31 122.95 1gql h LEU 612 Ca 0.19 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1gql h LEU 612 Cb 0.47 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 1gql h LEU 612 CO 0.02 0.03 0.33 0.58 -0.62 0.00 0.00 178.44 178.78 1gql h VAL 613 N 0.00 1.19 -0.62 1.05 2.07 -1.18 -2.20 116.25 116.56 1gql h VAL 613 Ca 0.00 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1gql h VAL 613 Cb 0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1gql h VAL 613 CO -0.00 0.20 0.34 -0.74 0.02 0.00 0.00 177.57 177.39 1gql h HIS 614 N 0.80 0.62 -0.28 1.57 -0.00 -0.72 -1.19 115.15 115.96 1gql h HIS 614 Ca 0.21 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1gql h HIS 614 Cb 0.03 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1gql h HIS 614 CO -0.01 0.30 0.10 0.87 -0.00 0.00 0.00 177.93 179.18 1gql h LYS 615 N 0.63 0.42 -0.52 5.26 1.79 -0.71 0.20 116.57 123.65 1gql h LYS 615 Ca 0.28 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1gql h LYS 615 Cb 0.17 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1gql h LYS 615 CO -0.17 0.47 0.33 1.88 -1.08 0.00 0.00 179.45 180.87 1gql h TYR 616 N 0.29 0.67 -0.40 -1.35 -1.99 -1.18 -1.10 116.97 111.91 1gql h TYR 616 Ca 0.09 0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.70 1gql h TYR 616 Cb 0.21 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1gql h TYR 616 CO -0.00 0.45 -0.25 1.88 -0.00 0.00 0.00 178.16 180.23 1gql h TYR 617 N 0.70 0.96 -0.86 4.88 0.05 -1.07 -3.06 116.97 118.58 1gql h TYR 617 Ca 0.19 -0.24 0.06 0.00 0.05 0.00 0.00 58.73 58.79 1gql h TYR 617 Cb -0.04 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.41 1gql h TYR 617 CO -0.03 1.00 0.53 0.37 -1.05 0.00 0.00 178.16 178.98 1gql h GLN 618 N 0.72 0.94 -0.75 4.88 4.15 -0.15 -1.64 115.11 123.26 1gql h GLN 618 Ca 0.09 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1gql h GLN 618 Cb 0.79 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 1gql h GLN 618 CO 0.07 0.62 0.48 0.78 -1.93 0.00 0.00 178.83 178.84 1gql h GLY 619 N 0.97 1.08 0.97 2.39 0.00 -1.11 0.19 103.07 107.56 1gql h GLY 619 Ca 0.38 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1gql h GLY 619 CO -0.18 0.31 0.03 -2.08 0.00 0.00 0.00 176.54 174.62 1gql h VAL 620 N 0.93 1.26 -0.59 4.60 2.07 -1.46 -1.99 116.25 121.07 1gql h VAL 620 Ca 0.30 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1gql h VAL 620 Cb 0.01 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1gql h VAL 620 CO -0.11 0.34 0.31 -0.33 0.02 0.00 0.00 177.57 177.80 1gql h GLU 621 N 0.61 0.81 -0.67 1.57 4.39 -0.69 -0.73 114.58 119.87 1gql h GLU 621 Ca 0.13 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1gql h GLU 621 Cb 0.46 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1gql h GLU 621 CO 0.02 0.61 0.25 1.96 -1.16 0.00 0.00 179.01 180.68 1gql h GLN 622 N 0.82 1.01 -0.45 2.33 4.20 -0.35 0.66 115.11 123.34 1gql h GLN 622 Ca 0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1gql h GLN 622 Cb 0.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1gql h GLN 622 CO -0.03 0.86 0.21 0.28 -0.67 0.00 0.00 178.83 179.47 1gql h VAL 623 N 0.96 1.19 -0.87 -0.54 2.07 -0.62 -0.72 116.25 117.70 1gql h VAL 623 Ca 0.22 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.24 1gql h VAL 623 Cb 0.23 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1gql h VAL 623 CO -0.02 0.21 0.56 0.03 0.02 0.00 0.00 177.57 178.37 1gql h ARG 624 N 0.58 1.04 -0.37 1.57 3.08 -0.80 -0.44 114.38 119.03 1gql h ARG 624 Ca 0.15 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1gql h ARG 624 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1gql h ARG 624 CO -0.02 0.69 -0.14 0.00 -1.07 0.00 0.00 179.97 179.44 1gql h ALA 625 N 1.37 1.06 -0.84 0.04 0.00 -0.59 -2.34 119.26 117.96 1gql h ALA 625 Ca 0.35 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gql h ALA 625 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gql h ALA 625 CO -0.13 0.57 0.44 0.52 0.00 0.00 0.00 179.25 180.65 1gql h MET 626 N 0.61 1.19 -0.28 0.00 2.86 -0.20 -0.67 114.93 118.44 1gql h MET 626 Ca 0.10 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1gql h MET 626 Cb 0.58 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1gql h MET 626 CO 0.04 0.89 0.04 1.96 1.06 0.00 0.00 176.91 180.89 1gql h GLN 627 N 1.19 0.13 -0.46 1.72 4.20 -0.81 0.12 115.11 121.20 1gql h GLN 627 Ca 0.29 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 1gql h GLN 627 Cb 0.07 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1gql h GLN 627 CO -0.04 0.08 0.08 0.00 -0.67 0.00 0.00 178.83 178.28 1gql h ARG 628 N 0.13 0.75 0.02 1.46 3.08 -1.02 -1.74 114.38 117.07 1gql h ARG 628 Ca 0.13 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1gql h ARG 628 Cb 0.15 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1gql h ARG 628 CO -0.19 0.77 -0.12 1.15 -1.07 0.00 0.00 179.97 180.51 1gql h THR 629 N 0.62 0.70 -0.79 2.04 2.02 -0.90 -2.66 112.91 113.95 1gql h THR 629 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 1gql h THR 629 Cb 0.38 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1gql h THR 629 CO 0.01 0.00 0.49 -0.25 0.37 0.00 0.00 175.52 176.14 1gql h TRP 630 N -0.21 0.91 -0.36 3.16 2.91 -0.61 -2.20 115.95 119.54 1gql h TRP 630 Ca 0.04 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1gql h TRP 630 Cb 0.26 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 1gql h TRP 630 CO -0.17 0.49 0.25 -0.44 -1.03 0.00 0.00 178.44 177.53 1gql h ASP 631 N 0.92 0.28 0.26 2.65 3.32 -1.10 -0.50 116.42 122.25 1gql h ASP 631 Ca 0.33 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1gql h ASP 631 Cb 0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1gql h ASP 631 CO -0.14 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1gql n GLN 632 N -4.48 0.18 -0.21 3.56 6.02 -0.83 -3.34 117.38 118.28 1gql n GLN 632 Ca 0.04 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.28 1gql n GLN 632 Cb 0.20 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.16 1gql n GLN 632 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1gql n GLN 633 N -1.30 2.49 -0.20 -1.09 1.13 -0.20 -4.66 117.38 113.56 1gql n GLN 633 Ca 0.06 -2.18 0.13 0.00 -1.94 0.00 0.00 57.00 53.07 1gql n GLN 633 Cb 0.11 -1.40 0.44 0.00 0.11 0.00 0.00 30.24 29.49 1gql n GLN 633 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gql h GLU 634 N 3.26 0.54 0.00 -1.09 4.81 -1.69 -1.10 114.58 119.30 1gql h GLU 634 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1gql h GLU 634 Cb 0.84 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1gql h GLU 634 CO 0.00 0.36 -0.01 0.00 -0.73 0.00 0.00 179.01 178.63 1gql h ALA 635 N 1.63 1.01 0.00 2.92 0.00 -1.90 -3.28 119.26 119.64 1gql h ALA 635 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1gql h ALA 635 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1gql h ALA 635 CO -0.15 0.01 -1.06 0.66 0.00 0.00 0.00 179.25 178.72 1gql n TYR 636 N -3.11 0.00 -4.67 0.00 4.01 -0.43 -4.97 117.16 107.99 1gql n TYR 636 Ca -0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.43 1gql n TYR 636 Cb 0.25 -0.09 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 1gql n TYR 636 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gql s VAL 637 N -2.82 2.58 0.66 -0.72 1.01 -1.17 -4.74 120.40 115.19 1gql s VAL 637 Ca 0.04 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 1gql s VAL 637 Cb 0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1gql s VAL 637 CO 0.75 0.31 1.25 -0.90 0.00 0.00 0.00 175.10 176.50 1gql n ASP 638 N 1.50 1.83 -0.03 3.32 5.75 -1.26 -4.80 116.55 122.85 1gql n ASP 638 Ca -0.16 0.80 0.02 0.00 -0.01 0.00 0.00 54.79 55.44 1gql n ASP 638 Cb 0.52 -1.53 0.35 0.00 -1.03 0.00 0.00 41.12 39.43 1gql n ASP 638 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gql h ALA 639 N 0.38 1.55 0.11 2.12 0.00 -1.97 -1.40 119.26 120.05 1gql h ALA 639 Ca -0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1gql h ALA 639 Cb 1.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1gql h ALA 639 CO 0.52 0.36 -0.05 0.00 0.00 0.00 0.00 179.25 180.08 1gql h ALA 640 N 1.63 -0.15 -0.12 0.00 0.00 -1.90 -1.51 119.26 117.20 1gql h ALA 640 Ca 0.15 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1gql h ALA 640 Cb 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gql h ALA 640 CO -0.02 -0.30 -0.27 0.00 0.00 0.00 0.00 179.25 178.66 1gql h ARG 641 N -0.72 0.22 -0.01 0.00 3.08 -1.75 -1.44 114.38 113.76 1gql h ARG 641 Ca -0.02 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1gql h ARG 641 Cb 0.54 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1gql h ARG 641 CO 0.03 0.48 -0.09 0.35 -1.07 0.00 0.00 179.97 179.66 1gql h PHE 642 N 0.20 -0.24 -0.56 3.04 3.57 -1.23 -1.20 116.94 120.52 1gql h PHE 642 Ca 0.03 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1gql h PHE 642 Cb 0.58 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1gql h PHE 642 CO 0.01 -0.15 0.01 0.00 -2.23 0.00 0.00 178.31 175.95 1gql h ALA 643 N 0.83 0.96 0.16 2.41 0.00 -1.02 -0.95 119.26 121.65 1gql h ALA 643 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1gql h ALA 643 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gql h ALA 643 CO -0.10 0.63 -0.08 0.37 0.00 0.00 0.00 179.25 180.07 1gql h GLN 644 N 0.88 -0.20 -0.77 0.00 4.15 -1.08 -1.45 115.11 116.64 1gql h GLN 644 Ca 0.16 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 1gql h GLN 644 Cb 0.50 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1gql h GLN 644 CO 0.02 0.01 0.33 0.28 -1.93 0.00 0.00 178.83 177.55 1gql h VAL 645 N -0.40 1.25 -0.40 2.39 2.07 -1.13 -0.84 116.25 119.20 1gql h VAL 645 Ca -0.02 -0.77 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1gql h VAL 645 Cb 0.31 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1gql h VAL 645 CO 0.04 0.32 0.12 0.50 0.02 0.00 0.00 177.57 178.56 1gql h LYS 646 N 1.11 0.26 -0.39 1.57 3.64 -1.09 -0.62 116.57 121.05 1gql h LYS 646 Ca 0.26 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1gql h LYS 646 Cb 0.18 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1gql h LYS 646 CO -0.03 0.17 0.18 0.00 -2.27 0.00 0.00 179.45 177.51 1gql h ALA 647 N 1.28 0.50 -0.62 5.00 0.00 -1.00 -2.53 119.26 121.89 1gql h ALA 647 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gql h ALA 647 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1gql h ALA 647 CO -0.21 0.07 0.25 -0.07 0.00 0.00 0.00 179.25 179.29 1gql h LEU 648 N 0.49 0.82 -1.35 0.00 3.38 -0.86 -1.67 115.31 116.12 1gql h LEU 648 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1gql h LEU 648 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1gql h LEU 648 CO -0.02 0.74 -0.15 -0.07 0.09 0.00 0.00 178.44 179.03 1gql h LEU 649 N 0.89 0.24 -0.41 1.67 3.38 -0.93 0.12 115.31 120.27 1gql h LEU 649 Ca 0.21 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1gql h LEU 649 Cb 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1gql h LEU 649 CO -0.02 0.41 0.01 1.56 0.09 0.00 0.00 178.44 180.49 1gql h GLN 650 N 0.24 0.71 -0.27 1.13 4.20 -0.89 -0.39 115.11 119.83 1gql h GLN 650 Ca 0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1gql h GLN 650 Cb 0.41 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1gql h GLN 650 CO 0.02 0.79 0.17 0.28 -0.67 0.00 0.00 178.83 179.42 1gql h VAL 651 N 0.54 1.10 -0.69 -0.54 2.07 -0.69 -2.12 116.25 115.91 1gql h VAL 651 Ca 0.12 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1gql h VAL 651 Cb 0.46 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1gql h VAL 651 CO 0.02 0.09 0.41 -0.61 0.02 0.00 0.00 177.57 177.50 1gql h GLN 652 N 0.34 0.74 -0.75 1.57 4.15 -0.65 -0.99 115.11 119.52 1gql h GLN 652 Ca 0.10 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1gql h GLN 652 Cb 0.01 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1gql h GLN 652 CO -0.02 0.49 0.30 1.49 -1.93 0.00 0.00 178.83 179.16 1gql h GLU 653 N 0.76 1.12 -0.32 1.69 4.22 -0.83 0.22 114.58 121.44 1gql h GLU 653 Ca 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1gql h GLU 653 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1gql h GLU 653 CO -0.16 0.91 0.12 -0.09 -2.18 0.00 0.00 179.01 177.61 1gql h ARG 654 N 1.08 0.49 -0.32 1.92 2.43 -1.07 -1.37 114.38 117.54 1gql h ARG 654 Ca 0.25 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1gql h ARG 654 Cb 0.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1gql h ARG 654 CO -0.02 0.50 -0.20 0.93 -1.51 0.00 0.00 179.97 179.67 1gql h GLU 655 N 0.37 0.59 -0.64 0.20 5.08 -0.93 -2.07 114.58 117.17 1gql h GLU 655 Ca 0.11 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1gql h GLU 655 Cb 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1gql h GLU 655 CO -0.01 0.76 0.05 0.00 -1.00 0.00 0.00 179.01 178.81 1gql h ALA 656 N 1.25 0.87 -0.58 3.43 0.00 -0.34 0.05 119.26 123.95 1gql h ALA 656 Ca 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1gql h ALA 656 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1gql h ALA 656 CO 0.05 0.67 0.38 0.28 0.00 0.00 0.00 179.25 180.63 1gql h VAL 657 N 1.01 1.14 -0.74 0.00 2.07 -1.06 0.26 116.25 118.92 1gql h VAL 657 Ca 0.19 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1gql h VAL 657 Cb 0.51 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1gql h VAL 657 CO 0.02 0.14 0.46 -0.09 0.02 0.00 0.00 177.57 178.12 1gql h ARG 658 N 0.77 1.00 0.31 1.57 2.43 -1.01 0.74 114.38 120.19 1gql h ARG 658 Ca 0.21 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1gql h ARG 658 Cb -0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1gql h ARG 658 CO -0.05 0.70 -0.15 -1.49 -1.51 0.00 0.00 179.97 177.47 1gql h TRP 659 N 1.01 -0.39 0.04 2.20 4.06 -0.64 -0.41 115.95 121.82 1gql h TRP 659 Ca 0.27 -0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.24 1gql h TRP 659 Cb -0.05 0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 1gql h TRP 659 CO -0.01 -0.21 -0.27 -0.09 -3.56 0.00 0.00 178.44 174.30 1gql h ARG 660 N -0.47 -0.42 -0.57 0.49 2.43 -0.76 -0.46 114.38 114.62 1gql h ARG 660 Ca -0.04 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1gql h ARG 660 Cb 0.35 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1gql h ARG 660 CO 0.07 -0.28 0.31 -0.91 -1.51 0.00 0.00 179.97 177.64 1gql h ASN 661 N -0.44 0.71 -0.34 -3.80 2.35 -0.84 -0.16 115.58 113.06 1gql h ASN 661 Ca 0.05 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1gql h ASN 661 Cb 0.51 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1gql h ASN 661 CO -0.21 0.61 0.18 0.28 -1.65 0.00 0.00 177.43 176.64 1gql h SER 662 N 0.77 0.44 -0.08 5.81 0.02 -0.79 -1.42 113.55 118.29 1gql h SER 662 Ca 0.20 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1gql h SER 662 Cb 0.05 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1gql h SER 662 CO -0.03 0.41 -0.33 0.00 -1.14 0.00 0.00 176.83 175.75 1gql h VAL 664 N -0.09 1.20 -0.35 0.00 2.07 -1.04 -0.01 116.25 118.03 1gql h VAL 664 Ca -0.02 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 1gql h VAL 664 Cb 0.96 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1gql h VAL 664 CO 0.07 0.22 -0.31 -0.07 0.02 0.00 0.00 177.57 177.50 1gql h LEU 665 N 0.82 0.79 0.42 2.57 3.38 -1.29 0.33 115.31 122.33 1gql h LEU 665 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1gql h LEU 665 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1gql h LEU 665 CO -0.03 1.04 -0.20 0.22 0.09 0.00 0.00 178.44 179.56 1gql h TYR 666 N 0.64 -0.53 -0.11 1.13 3.20 -0.85 -1.29 116.97 119.17 1gql h TYR 666 Ca 0.07 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1gql h TYR 666 Cb 0.84 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1gql h TYR 666 CO 0.04 -0.27 -0.14 0.74 -1.64 0.00 0.00 178.16 176.89 1gql h PHE 667 N -0.67 0.17 -0.68 -3.82 0.04 -0.94 -2.08 116.94 108.95 1gql h PHE 667 Ca -0.06 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1gql h PHE 667 Cb 0.49 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1gql h PHE 667 CO -0.02 0.31 0.34 0.37 -0.60 0.00 0.00 178.31 178.71 1gql h GLN 668 N 0.16 0.97 0.00 1.51 4.15 -0.81 0.84 115.11 121.93 1gql h GLN 668 Ca 0.03 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1gql h GLN 668 Cb 0.35 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1gql h GLN 668 CO 0.02 0.76 -0.10 0.66 -1.93 0.00 0.00 178.83 178.24 1gql h SER 669 N 0.94 0.00 0.04 -0.69 4.64 -0.53 0.34 113.55 118.29 1gql h SER 669 Ca 0.24 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.36 1gql h SER 669 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1gql h SER 669 CO -0.03 0.10 -1.05 0.58 -0.87 0.00 0.00 176.83 175.56 1gql h VAL 670 N 0.00 1.15 -0.02 0.95 2.07 -1.16 -3.38 116.25 115.85 1gql h VAL 670 Ca -0.00 -2.30 -0.15 0.00 0.82 0.00 0.00 66.70 65.07 1gql h VAL 670 Cb 0.19 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1gql h VAL 670 CO 0.01 0.53 -0.68 0.00 0.02 0.00 0.00 177.57 177.45 1gql h ALA 671 N -0.22 0.82 -4.01 1.67 0.00 -0.75 -3.26 119.26 113.52 1gql h ALA 671 Ca -0.26 -0.61 -0.25 0.00 0.00 0.00 0.00 54.91 53.80 1gql h ALA 671 Cb 1.41 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 19.19 1gql h ALA 671 CO -0.06 0.81 -0.42 0.41 0.00 0.00 0.00 179.25 179.99 1gql n GLY 672 N 0.43 0.02 3.37 0.00 0.00 0.12 -4.84 105.19 104.29 1gql n GLY 672 Ca -0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1gql n GLY 672 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gql s ARG 673 N -5.81 1.36 0.45 1.61 0.52 -1.25 -5.09 118.95 110.73 1gql s ARG 673 Ca 0.36 -1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 54.01 1gql s ARG 673 Cb -0.16 -1.67 -0.10 0.00 0.52 0.00 0.00 34.95 33.54 1gql s ARG 673 CO 0.45 0.37 0.94 -1.25 0.02 0.00 0.00 175.30 175.84 1gql s PRO 674 N -2.36 4.11 0.00 3.54 0.04 -1.26 -4.83 135.00 134.24 1gql s PRO 674 Ca 0.15 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1gql s PRO 674 Cb -0.09 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1gql s PRO 674 CO 0.07 -0.09 1.33 0.42 0.04 0.00 0.00 177.00 178.77 1gql s ILE 675 N -2.31 3.84 0.37 0.56 1.01 -1.26 -4.98 121.20 118.43 1gql s ILE 675 Ca 0.60 1.23 -0.26 0.00 0.00 0.00 0.00 60.65 62.23 1gql s ILE 675 Cb -0.09 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 1gql s ILE 675 CO 0.20 0.02 0.96 -2.65 0.00 0.00 0.00 174.94 173.46 1gql n PRO 676 N 5.04 1.27 0.27 2.79 -0.02 -1.26 -4.87 135.00 138.22 1gql n PRO 676 Ca 0.12 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1gql n PRO 676 Cb 0.44 -1.90 0.72 0.00 -0.02 0.00 0.00 33.50 32.74 1gql n PRO 676 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gql h ALA 677 N 1.64 1.79 0.00 3.55 0.00 -2.03 -2.68 119.26 121.53 1gql h ALA 677 Ca -0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gql h ALA 677 Cb 1.35 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1gql h ALA 677 CO 0.58 0.03 -0.01 -2.95 0.00 0.00 0.00 179.25 176.89 1gql h ASN 678 N 0.00 0.00 -3.67 0.00 -1.07 -2.04 -3.44 115.58 105.36 1gql h ASN 678 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 56.30 55.87 1gql h ASN 678 Cb 0.04 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.26 1gql h ASN 678 CO 0.00 0.01 0.10 -0.31 0.07 0.00 0.00 177.43 177.31 1gql s TYR 679 N -4.18 3.47 -0.02 4.14 2.02 -1.01 -5.02 117.35 116.75 1gql s TYR 679 Ca -0.04 1.27 -0.30 0.00 -0.37 0.00 0.00 57.07 57.64 1gql s TYR 679 Cb 0.13 -2.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.07 1gql s TYR 679 CO 0.47 0.18 1.62 -2.00 -1.57 0.00 0.00 175.55 174.26 1gql s GLU 680 N -2.62 4.20 0.19 -0.62 2.12 -1.26 -4.96 118.70 115.74 1gql s GLU 680 Ca 0.50 2.19 -0.30 0.00 0.36 0.00 0.00 54.97 57.72 1gql s GLU 680 Cb -0.12 -3.85 -0.08 0.00 0.26 0.00 0.00 34.13 30.33 1gql s GLU 680 CO 0.19 -0.79 1.16 -0.65 -0.54 0.00 0.00 175.26 174.62 1gql s GLN 681 N 3.54 4.54 0.28 4.30 -1.52 -1.26 -4.98 119.66 124.56 1gql s GLN 681 Ca 0.72 1.82 -0.30 0.00 -1.95 0.00 0.00 55.36 55.65 1gql s GLN 681 Cb -0.34 -3.25 -0.11 0.00 -0.22 0.00 0.00 33.01 29.09 1gql s GLN 681 CO 0.30 -0.00 1.56 -2.14 -0.25 0.00 0.00 175.29 174.75 1gql s PRO 682 N -0.42 4.15 0.23 2.91 0.02 -1.26 -4.91 135.00 135.72 1gql s PRO 682 Ca 0.51 2.52 0.13 0.00 0.02 0.00 0.00 61.00 64.17 1gql s PRO 682 Cb -0.31 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 1gql s PRO 682 CO 0.37 -0.58 1.37 1.49 -0.33 0.00 0.00 177.00 179.32 1gql h GLU 683 N 4.87 0.00 -6.22 5.54 4.22 -2.02 -3.45 114.58 117.52 1gql h GLU 683 Ca -0.47 0.00 -0.46 0.00 0.08 0.00 0.00 59.36 58.52 1gql h GLU 683 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1gql h GLU 683 CO 0.79 0.62 -0.41 -1.01 -2.18 0.00 0.00 179.01 176.82 1gql s HIS 684 N -2.89 3.39 0.70 0.92 3.76 -1.26 -5.12 115.29 114.79 1gql s HIS 684 Ca 0.03 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1gql s HIS 684 Cb 0.08 -1.65 0.10 0.00 1.11 0.00 0.00 32.58 32.22 1gql s HIS 684 CO 0.77 0.35 0.98 0.16 -0.85 0.00 0.00 174.74 176.15 1gql s ASP 685 N -4.02 4.51 0.22 1.40 3.84 -1.26 -4.97 116.67 116.39 1gql s ASP 685 Ca 0.36 -0.12 -0.08 0.00 -0.00 0.00 0.00 52.55 52.71 1gql s ASP 685 Cb -0.09 -0.38 0.26 0.00 -1.38 0.00 0.00 42.92 41.32 1gql s ASP 685 CO 0.29 -1.74 1.83 0.25 -0.00 0.00 0.00 175.17 175.80 1gql h LEU 686 N -0.50 0.67 -1.62 2.11 5.85 -1.94 -1.94 115.31 117.94 1gql h LEU 686 Ca -0.39 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1gql h LEU 686 Cb 1.28 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1gql h LEU 686 CO 0.46 0.44 0.34 -0.08 -0.34 0.00 0.00 178.44 179.26 1gql h GLU 687 N 0.81 0.45 -0.56 1.25 4.57 -1.99 -0.76 114.58 118.36 1gql h GLU 687 Ca 0.32 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 1gql h GLU 687 Cb 0.15 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1gql h GLU 687 CO -0.16 0.30 0.13 -0.92 -1.18 0.00 0.00 179.01 177.17 1gql h TYR 688 N 0.47 0.94 -0.03 0.92 5.03 -1.73 -1.89 116.97 120.68 1gql h TYR 688 Ca 0.22 -0.12 -0.12 0.00 2.58 0.00 0.00 58.73 61.30 1gql h TYR 688 Cb 0.28 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1gql h TYR 688 CO -0.00 0.82 -0.52 1.88 -1.32 0.00 0.00 178.16 179.01 1gql h TYR 689 N 0.79 0.10 -0.33 -3.82 -1.99 -1.10 -0.24 116.97 110.38 1gql h TYR 689 Ca 0.17 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 1gql h TYR 689 Cb 0.36 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1gql h TYR 689 CO 0.02 0.59 0.05 0.87 -0.00 0.00 0.00 178.16 179.70 1gql h LYS 690 N 0.07 0.49 -0.28 4.88 1.57 -0.94 -1.04 116.57 121.31 1gql h LYS 690 Ca -0.00 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 1gql h LYS 690 Cb 0.95 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1gql h LYS 690 CO 0.07 0.48 -0.37 1.98 -0.57 0.00 0.00 179.45 181.05 1gql h MET 691 N 0.48 0.74 0.00 3.15 4.05 -0.63 -3.04 114.93 119.69 1gql h MET 691 Ca 0.11 -0.42 -0.03 0.00 -0.28 0.00 0.00 59.70 59.08 1gql h MET 691 Cb 0.24 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 1gql h MET 691 CO 0.00 1.05 -0.14 -0.07 0.23 0.00 0.00 176.91 177.97 1gql h LEU 692 N 0.49 0.00 -1.71 3.39 3.38 -0.82 -1.84 115.31 118.20 1gql h LEU 692 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1gql h LEU 692 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1gql h LEU 692 CO 0.09 0.14 -0.16 0.00 0.09 0.00 0.00 178.44 178.60 1gql h ALA 693 N 1.86 1.69 0.00 1.53 0.00 -1.08 -0.73 119.26 122.53 1gql h ALA 693 Ca -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1gql h ALA 693 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1gql h ALA 693 CO 0.02 0.20 -1.36 0.00 0.00 0.00 0.00 179.25 178.11 1gql h ARG 694 N 0.00 0.00 0.00 0.00 3.08 -1.29 -3.39 114.38 112.78 1gql h ARG 694 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gql h ARG 694 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1gql h ARG 694 CO 0.02 0.44 -1.03 0.25 -1.07 0.00 0.00 179.97 178.59 1gql n THR 695 N -3.02 0.00 0.00 2.04 -2.24 -0.90 -4.93 114.28 105.23 1gql n THR 695 Ca -0.10 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1gql n THR 695 Cb 0.90 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1gql n THR 695 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1gql n THR 696 N -1.58 0.00 -0.41 4.28 5.66 -0.29 -4.93 114.28 117.02 1gql n THR 696 Ca -0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.80 1gql n THR 696 Cb 0.19 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 1gql n THR 696 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gql n TYR 697 N -1.16 0.38 -2.88 1.09 9.36 -1.26 -4.79 117.16 117.89 1gql n TYR 697 Ca 0.00 0.25 -0.43 0.00 3.32 0.00 0.00 57.90 61.04 1gql n TYR 697 Cb 0.00 -0.74 -0.05 0.00 -0.63 0.00 0.00 39.34 37.92 1gql n TYR 697 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1gql s VAL 698 N 1.96 4.50 -1.27 2.97 1.01 -1.26 -4.99 120.40 123.32 1gql s VAL 698 Ca 0.39 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 1gql s VAL 698 Cb -0.49 -4.44 0.13 0.00 0.00 0.00 0.00 36.38 31.58 1gql s VAL 698 CO 0.21 -0.92 1.66 -0.81 0.00 0.00 0.00 175.10 175.24 1gql n PRO 699 N 7.14 3.32 -3.69 2.72 -0.04 -1.26 -4.87 135.00 138.32 1gql n PRO 699 Ca 0.03 -3.54 -0.12 0.00 -0.04 0.00 0.00 63.50 59.83 1gql n PRO 699 Cb 0.48 -3.16 -0.09 0.00 -0.04 0.00 0.00 33.50 30.69 1gql n PRO 699 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1gql s GLU 700 N 2.19 0.56 0.10 0.54 -1.05 -1.26 -4.84 118.70 114.94 1gql s GLU 700 Ca 0.46 0.81 -0.17 0.00 -0.15 0.00 0.00 54.97 55.91 1gql s GLU 700 Cb 0.03 0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.84 1gql s GLU 700 CO 0.02 -0.11 1.54 -1.35 0.95 0.00 0.00 175.26 176.31 1gql h PRO 701 N 6.03 0.51 -7.09 -4.83 0.11 -1.90 -3.44 132.00 121.40 1gql h PRO 701 Ca -0.30 -0.16 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 1gql h PRO 701 Cb 1.18 -0.05 0.10 0.00 0.11 0.00 0.00 31.00 32.34 1gql h PRO 701 CO 0.21 0.65 0.47 -0.46 -0.21 0.00 0.00 178.00 178.65 1gql s TRP 702 N -5.03 2.50 0.02 0.65 -0.00 -1.26 -5.07 118.94 110.75 1gql s TRP 702 Ca -0.13 1.52 -0.01 0.00 -0.00 0.00 0.00 56.10 57.47 1gql s TRP 702 Cb 0.08 -3.43 -0.02 0.00 -0.00 0.00 0.00 33.47 30.10 1gql s TRP 702 CO 0.76 -2.00 -0.00 -3.38 -0.00 0.00 0.00 176.95 172.32 1gql s HIS 703 N -1.63 0.26 -0.00 5.86 -3.43 -1.26 -5.00 115.29 110.08 1gql s HIS 703 Ca 0.75 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 1gql s HIS 703 Cb -0.29 -0.19 0.00 0.00 -1.43 0.00 0.00 32.58 30.67 1gql s HIS 703 CO 0.32 -0.23 0.00 -2.30 -2.00 0.00 0.00 174.74 170.53