#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3i s VAL 6 N 0.00 1.16 -0.23 2.46 1.01 -1.26 -1.51 120.40 122.03 2d3i s VAL 6 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 2d3i s VAL 6 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2d3i s VAL 6 CO 0.00 0.35 0.38 -0.63 0.00 0.00 0.00 175.10 175.20 2d3i s ILE 7 N 0.34 5.19 -0.53 2.22 -1.09 0.48 -4.92 121.20 122.89 2d3i s ILE 7 Ca -0.08 0.64 -0.19 0.00 -2.23 0.00 0.00 60.65 58.79 2d3i s ILE 7 Cb -0.13 -3.71 0.07 0.00 -1.58 0.00 0.00 42.46 37.11 2d3i s ILE 7 CO 0.02 0.22 0.66 -0.13 -1.23 0.00 0.00 174.94 174.48 2d3i s ARG 8 N 1.59 3.11 -0.02 2.79 0.52 -1.26 -0.24 118.95 125.43 2d3i s ARG 8 Ca 0.17 -0.97 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 2d3i s ARG 8 Cb -0.15 -4.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.13 2d3i s ARG 8 CO 0.08 -1.31 0.51 -0.46 0.02 0.00 0.00 175.30 174.14 2d3i s TRP 9 N 2.71 3.67 -0.27 -0.53 -0.11 0.95 0.55 118.94 125.91 2d3i s TRP 9 Ca 0.15 1.08 -0.09 0.00 1.22 0.00 0.00 56.10 58.45 2d3i s TRP 9 Cb -0.20 -2.50 -0.04 0.00 -1.50 0.00 0.00 33.47 29.23 2d3i s TRP 9 CO 0.11 0.41 0.14 0.00 -4.62 0.00 0.00 176.95 172.98 2d3i s THR 11 N 1.70 4.77 -0.14 0.00 -4.23 0.85 -4.72 115.64 113.86 2d3i s THR 11 Ca 0.07 -1.12 0.15 0.00 -1.18 0.00 0.00 61.69 59.61 2d3i s THR 11 Cb -0.16 -3.52 0.37 0.00 1.34 0.00 0.00 72.50 70.53 2d3i s THR 11 CO 0.08 -0.24 1.18 2.30 -0.54 0.00 0.00 174.62 177.40 2d3i n ILE 12 N -0.90 1.60 -3.54 2.99 -0.00 -1.26 -0.92 119.36 117.33 2d3i n ILE 12 Ca -0.08 -2.45 -0.09 0.00 -0.00 0.00 0.00 62.75 60.13 2d3i n ILE 12 Cb 0.56 0.04 -0.03 0.00 -0.00 0.00 0.00 39.64 40.21 2d3i n ILE 12 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2d3i s SER 13 N -2.80 -0.36 0.17 7.28 1.04 -1.26 -4.76 113.70 113.01 2d3i s SER 13 Ca 0.34 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 56.83 2d3i s SER 13 Cb 0.33 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.87 2d3i s SER 13 CO -0.07 -0.48 1.78 0.28 0.98 0.00 0.00 173.24 175.73 2d3i h SER 14 N 2.26 0.74 -0.94 7.02 0.02 -1.96 -0.94 113.55 119.76 2d3i h SER 14 Ca -0.20 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2d3i h SER 14 Cb 1.20 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 2d3i h SER 14 CO 0.31 0.64 0.61 -0.65 -1.14 0.00 0.00 176.83 176.60 2d3i h PRO 15 N 0.79 1.15 -0.50 3.45 0.11 -1.97 0.79 132.00 135.82 2d3i h PRO 15 Ca 0.20 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2d3i h PRO 15 Cb 0.07 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2d3i h PRO 15 CO -0.03 0.76 0.16 0.93 -0.21 0.00 0.00 178.00 179.61 2d3i h GLU 16 N 1.19 0.78 -0.66 1.05 5.08 -1.82 -1.43 114.58 118.76 2d3i h GLU 16 Ca 0.37 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2d3i h GLU 16 Cb -0.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 2d3i h GLU 16 CO -0.12 0.73 0.36 1.49 -1.00 0.00 0.00 179.01 180.47 2d3i h GLU 17 N 0.68 0.64 -0.36 2.33 4.57 -0.27 0.18 114.58 122.35 2d3i h GLU 17 Ca 0.16 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2d3i h GLU 17 Cb 0.27 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2d3i h GLU 17 CO -0.01 0.42 0.18 -0.22 -1.18 0.00 0.00 179.01 178.20 2d3i h LYS 18 N 0.66 0.52 -0.48 1.92 3.64 -0.48 -0.41 116.57 121.94 2d3i h LYS 18 Ca 0.30 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2d3i h LYS 18 Cb 0.21 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2d3i h LYS 18 CO -0.20 0.47 0.05 -0.22 -2.27 0.00 0.00 179.45 177.29 2d3i h LYS 19 N 0.45 0.81 -0.18 1.90 3.64 -0.72 -1.51 116.57 120.97 2d3i h LYS 19 Ca 0.13 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2d3i h LYS 19 Cb 0.12 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2d3i h LYS 19 CO -0.02 0.83 -0.01 0.00 -2.27 0.00 0.00 179.45 177.98 2d3i h ASN 21 N 0.04 0.15 -0.40 0.00 2.35 -0.93 0.92 115.58 117.71 2d3i h ASN 21 Ca 0.08 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2d3i h ASN 21 Cb 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2d3i h ASN 21 CO -0.15 0.21 -0.16 -1.13 -1.65 0.00 0.00 177.43 174.55 2d3i h ASN 22 N 0.17 0.88 0.05 5.81 -0.73 -0.19 -1.75 115.58 119.82 2d3i h ASN 22 Ca 0.04 -0.30 -0.16 0.00 1.87 0.00 0.00 56.30 57.76 2d3i h ASN 22 Cb 0.16 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2d3i h ASN 22 CO 0.00 1.03 -0.54 0.25 -0.37 0.00 0.00 177.43 177.81 2d3i h LEU 23 N 0.78 0.58 -0.26 0.34 5.85 0.23 -2.71 115.31 120.13 2d3i h LEU 23 Ca 0.12 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.55 2d3i h LEU 23 Cb 0.69 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2d3i h LEU 23 CO 0.05 1.01 0.11 -0.09 -0.34 0.00 0.00 178.44 179.18 2d3i h ARG 24 N 0.41 0.24 -0.87 1.25 2.43 -0.53 -2.05 114.38 115.26 2d3i h ARG 24 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2d3i h ARG 24 Cb 1.07 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2d3i h ARG 24 CO 0.10 0.16 0.56 -0.44 -1.51 0.00 0.00 179.97 178.84 2d3i h ASP 25 N 0.24 1.01 0.70 -3.80 3.45 -1.23 -2.28 116.42 114.51 2d3i h ASP 25 Ca 0.11 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2d3i h ASP 25 Cb 0.05 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 2d3i h ASP 25 CO -0.09 0.75 0.00 0.18 -1.57 0.00 0.00 179.24 178.51 2d3i n LEU 26 N -4.39 0.00 -0.19 1.55 4.77 -0.85 -3.49 117.00 114.41 2d3i n LEU 26 Ca 0.10 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2d3i n LEU 26 Cb 0.03 -0.45 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 2d3i n LEU 26 CO 0.37 -0.10 0.46 0.35 -1.33 0.00 0.00 177.39 177.14 2d3i n THR 27 N -1.45 1.20 0.27 -5.08 -2.24 -0.83 -4.81 114.28 101.34 2d3i n THR 27 Ca 0.07 -1.42 0.11 0.00 -2.27 0.00 0.00 64.05 60.53 2d3i n THR 27 Cb 0.25 0.08 0.74 0.00 -2.10 0.00 0.00 70.33 69.30 2d3i n THR 27 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2d3i h GLN 28 N 0.00 0.00 -0.01 -0.78 1.08 -1.48 -2.33 115.11 111.59 2d3i h GLN 28 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2d3i h GLN 28 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2d3i h GLN 28 CO 0.00 0.03 -0.39 1.04 -0.95 0.00 0.00 178.83 178.56 2d3i n GLN 29 N -4.16 0.84 -1.56 1.46 3.00 -1.26 -4.93 117.38 110.77 2d3i n GLN 29 Ca -0.03 -0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 56.06 2d3i n GLN 29 Cb 0.12 -1.49 0.06 0.00 0.00 0.00 0.00 30.24 28.94 2d3i n GLN 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2d3i s GLU 30 N -2.56 2.58 0.28 -1.09 0.41 -0.88 -4.92 118.70 112.52 2d3i s GLU 30 Ca 0.20 1.31 0.01 0.00 -0.41 0.00 0.00 54.97 56.08 2d3i s GLU 30 Cb 0.19 -1.93 0.55 0.00 -1.78 0.00 0.00 34.13 31.15 2d3i s GLU 30 CO 0.57 -1.41 1.83 -0.09 -0.49 0.00 0.00 175.26 175.68 2d3i h ARG 31 N -0.42 0.95 -5.05 1.61 2.43 -1.93 -3.36 114.38 108.61 2d3i h ARG 31 Ca -0.45 -0.06 -0.66 0.00 -0.81 0.00 0.00 59.98 58.00 2d3i h ARG 31 Cb 1.24 -0.22 -0.30 0.00 -0.42 0.00 0.00 29.97 30.28 2d3i h ARG 31 CO 0.53 0.63 -0.76 0.42 -1.51 0.00 0.00 179.97 179.28 2d3i s ILE 32 N -5.96 2.98 0.61 1.20 1.01 -1.26 -4.33 121.20 115.45 2d3i s ILE 32 Ca -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2d3i s ILE 32 Cb 0.22 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.44 2d3i s ILE 32 CO 0.81 0.47 0.85 -0.44 0.00 0.00 0.00 174.94 176.63 2d3i s SER 33 N 1.28 4.91 0.02 3.58 0.01 -0.57 -4.93 113.70 118.00 2d3i s SER 33 Ca 0.03 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.09 2d3i s SER 33 Cb -0.14 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 2d3i s SER 33 CO -0.05 -1.43 -0.18 -0.22 0.41 0.00 0.00 173.24 171.78 2d3i s LEU 34 N -4.88 2.11 0.05 2.44 0.20 -1.26 -0.38 118.68 116.95 2d3i s LEU 34 Ca 0.61 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 55.07 2d3i s LEU 34 Cb -0.08 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.81 2d3i s LEU 34 CO 0.41 0.15 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.60 2d3i s THR 35 N -0.63 1.03 -0.08 3.68 2.01 0.66 -4.79 115.64 117.52 2d3i s THR 35 Ca 0.06 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.02 2d3i s THR 35 Cb -0.08 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 2d3i s THR 35 CO 0.01 -0.10 -0.14 0.00 -0.69 0.00 0.00 174.62 173.70 2d3i s VAL 37 N -0.35 0.80 -0.12 0.00 1.01 0.48 -4.93 120.40 117.28 2d3i s VAL 37 Ca 0.03 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2d3i s VAL 37 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2d3i s VAL 37 CO 0.02 0.02 0.35 -1.58 0.00 0.00 0.00 175.10 173.92 2d3i s GLN 38 N 1.76 4.17 0.33 2.72 0.74 -1.26 -0.10 119.66 128.01 2d3i s GLN 38 Ca 0.01 0.23 0.07 0.00 0.05 0.00 0.00 55.36 55.71 2d3i s GLN 38 Cb -0.16 -3.38 -0.06 0.00 1.10 0.00 0.00 33.01 30.51 2d3i s GLN 38 CO -0.07 0.34 -0.02 0.15 -0.55 0.00 0.00 175.29 175.13 2d3i s LYS 39 N 0.12 1.71 0.14 1.67 -0.14 -0.10 -4.93 119.74 118.21 2d3i s LYS 39 Ca 0.20 -1.91 -0.13 0.00 -1.36 0.00 0.00 55.97 52.77 2d3i s LYS 39 Cb -0.14 -1.29 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 2d3i s LYS 39 CO 0.07 -0.01 1.59 0.00 -0.76 0.00 0.00 175.35 176.24 2d3i h ALA 40 N 2.09 0.61 -2.57 5.17 0.00 -1.90 -3.39 119.26 119.27 2d3i h ALA 40 Ca -0.41 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 2d3i h ALA 40 Cb 1.24 -0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2d3i h ALA 40 CO 0.71 0.40 -0.42 0.95 0.00 0.00 0.00 179.25 180.89 2d3i s THR 41 N -5.03 0.08 0.45 0.00 -4.23 -1.26 -4.86 115.64 100.79 2d3i s THR 41 Ca -0.13 -1.54 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 2d3i s THR 41 Cb 0.11 -1.89 0.35 0.00 1.34 0.00 0.00 72.50 72.41 2d3i s THR 41 CO 0.81 -0.36 1.96 0.10 -0.54 0.00 0.00 174.62 176.59 2d3i h TYR 42 N 2.65 0.39 -0.39 3.99 -0.00 -1.91 -0.93 116.97 120.77 2d3i h TYR 42 Ca -0.33 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.33 2d3i h TYR 42 Cb 1.22 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 37.81 2d3i h TYR 42 CO 0.41 0.17 -0.09 1.25 -0.00 0.00 0.00 178.16 179.90 2d3i h LEU 43 N 0.35 0.65 -1.25 0.10 5.85 -1.99 0.83 115.31 119.86 2d3i h LEU 43 Ca 0.30 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 2d3i h LEU 43 Cb 0.70 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2d3i h LEU 43 CO -0.08 0.78 -0.37 0.44 -0.34 0.00 0.00 178.44 178.87 2d3i h ASP 44 N 0.62 0.01 -0.20 1.25 3.32 -1.59 -1.11 116.42 118.72 2d3i h ASP 44 Ca 0.11 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 2d3i h ASP 44 Cb 0.52 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2d3i h ASP 44 CO 0.03 0.38 -0.54 0.00 -1.72 0.00 0.00 179.24 177.39 2d3i h ILE 46 N 0.43 1.13 -0.41 0.00 2.04 -0.49 0.10 117.51 120.32 2d3i h ILE 46 Ca -0.01 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2d3i h ILE 46 Cb 1.16 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2d3i h ILE 46 CO 0.12 0.13 0.16 0.11 0.00 0.00 0.00 178.15 178.66 2d3i h LYS 47 N 0.55 0.61 -0.56 2.37 1.57 -1.17 -1.07 116.57 118.88 2d3i h LYS 47 Ca 0.15 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2d3i h LYS 47 Cb -0.01 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2d3i h LYS 47 CO -0.03 0.58 0.36 0.00 -0.57 0.00 0.00 179.45 179.79 2d3i h ALA 48 N 1.00 0.71 -0.39 3.86 0.00 -0.53 -0.08 119.26 123.84 2d3i h ALA 48 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2d3i h ALA 48 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2d3i h ALA 48 CO -0.01 0.12 0.11 0.82 0.00 0.00 0.00 179.25 180.29 2d3i h ILE 49 N 0.73 1.22 -0.20 0.00 2.04 -0.60 0.24 117.51 120.94 2d3i h ILE 49 Ca 0.21 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2d3i h ILE 49 Cb -0.05 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2d3i h ILE 49 CO -0.06 0.26 -0.00 0.00 0.00 0.00 0.00 178.15 178.34 2d3i h ALA 50 N 0.96 1.63 -0.28 1.87 0.00 -0.89 -1.76 119.26 120.79 2d3i h ALA 50 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d3i h ALA 50 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2d3i h ALA 50 CO -0.00 0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.61 2d3i n ASN 51 N -4.37 1.64 -3.38 0.00 3.02 -0.07 -4.92 115.26 107.19 2d3i n ASN 51 Ca -0.00 -2.03 -0.22 0.00 -0.03 0.00 0.00 54.58 52.30 2d3i n ASN 51 Cb 0.18 -0.22 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 2d3i n ASN 51 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2d3i n ASN 52 N 0.34 -6.11 -0.00 6.41 5.15 -0.66 -4.88 115.26 115.50 2d3i n ASN 52 Ca 0.10 -0.50 0.05 0.00 -0.60 0.00 0.00 54.58 53.63 2d3i n ASN 52 Cb 0.27 -4.74 -0.08 0.00 -0.53 0.00 0.00 39.78 34.70 2d3i n ASN 52 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2d3i n GLU 53 N -4.69 0.80 -4.05 1.20 1.02 0.80 -5.02 120.64 110.70 2d3i n GLU 53 Ca 0.01 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 2d3i n GLU 53 Cb 0.56 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.69 2d3i n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d3i s ALA 54 N -2.64 0.14 -0.00 0.62 0.00 -1.17 -4.92 121.76 113.79 2d3i s ALA 54 Ca -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2d3i s ALA 54 Cb 0.07 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.33 2d3i s ALA 54 CO 0.45 -0.79 0.01 -0.25 0.00 0.00 0.00 175.76 175.18 2d3i n ASP 55 N -0.42 4.90 -3.47 0.00 8.00 0.19 -4.22 116.55 121.53 2d3i n ASP 55 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 2d3i n ASP 55 Cb 0.63 0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 42.51 2d3i n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d3i s ALA 56 N -2.02 -1.56 -0.27 2.24 0.00 -1.13 -4.33 121.76 114.68 2d3i s ALA 56 Ca -0.00 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 2d3i s ALA 56 Cb 0.00 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.10 2d3i s ALA 56 CO 0.02 -0.80 0.92 -1.50 0.00 0.00 0.00 175.76 174.40 2d3i s ILE 57 N -3.75 0.00 -0.06 0.00 2.07 -1.19 -1.83 121.20 116.44 2d3i s ILE 57 Ca 0.02 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.04 2d3i s ILE 57 Cb -0.02 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 2d3i s ILE 57 CO -0.11 0.00 0.67 -0.55 -1.91 0.00 0.00 174.94 173.04 2d3i s SER 58 N 0.22 6.96 0.09 4.50 0.15 -1.26 -1.57 113.70 122.79 2d3i s SER 58 Ca 0.02 1.15 0.06 0.00 0.70 0.00 0.00 55.95 57.88 2d3i s SER 58 Cb -0.05 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 2d3i s SER 58 CO -0.03 -0.08 -0.16 -0.76 1.20 0.00 0.00 173.24 173.40 2d3i s LEU 59 N 0.68 2.31 0.60 3.45 1.43 0.62 -4.90 118.68 122.87 2d3i s LEU 59 Ca 0.36 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 2d3i s LEU 59 Cb -0.17 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2d3i s LEU 59 CO 0.17 -0.05 1.11 -0.62 0.23 0.00 0.00 176.35 177.19 2d3i s ASP 60 N -1.93 5.43 0.41 2.29 2.15 -1.26 -0.98 116.67 122.78 2d3i s ASP 60 Ca 0.03 2.05 0.20 0.00 0.43 0.00 0.00 52.55 55.26 2d3i s ASP 60 Cb -0.09 -2.56 1.15 0.00 -0.30 0.00 0.00 42.92 41.11 2d3i s ASP 60 CO 0.03 -1.41 1.78 1.23 -0.17 0.00 0.00 175.17 176.63 2d3i h GLY 61 N 0.57 1.05 2.00 2.66 0.00 -1.80 0.21 103.07 107.75 2d3i h GLY 61 Ca -0.48 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 2d3i h GLY 61 CO 0.56 -0.11 -0.24 -1.33 0.00 0.00 0.00 176.54 175.41 2d3i h GLY 62 N 0.35 0.01 1.14 4.60 0.00 -1.90 -1.92 103.07 105.35 2d3i h GLY 62 Ca 0.58 -0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.73 2d3i h GLY 62 CO -0.25 0.00 -1.31 1.46 0.00 0.00 0.00 176.54 176.44 2d3i h GLN 63 N 0.01 0.00 -0.44 4.80 7.50 -0.85 -3.16 115.11 122.96 2d3i h GLN 63 Ca -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 2d3i h GLN 63 Cb 0.43 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.94 2d3i h GLN 63 CO 0.03 0.35 0.15 0.28 -1.50 0.00 0.00 178.83 178.14 2d3i h VAL 64 N 0.00 1.18 -0.11 -0.54 2.07 -0.61 0.13 116.25 118.37 2d3i h VAL 64 Ca -0.15 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2d3i h VAL 64 Cb 1.60 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2d3i h VAL 64 CO 0.05 0.23 0.05 0.15 0.02 0.00 0.00 177.57 178.07 2d3i h PHE 65 N 0.64 0.15 -0.37 1.57 3.04 -1.38 -1.85 116.94 118.74 2d3i h PHE 65 Ca 0.15 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2d3i h PHE 65 Cb 0.17 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2d3i h PHE 65 CO 0.01 0.20 0.15 1.49 -2.02 0.00 0.00 178.31 178.13 2d3i h GLU 66 N 0.06 0.55 0.00 1.11 4.81 -1.34 -2.72 114.58 117.05 2d3i h GLU 66 Ca 0.04 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2d3i h GLU 66 Cb 0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2d3i h GLU 66 CO -0.01 0.53 -0.08 0.00 -0.73 0.00 0.00 179.01 178.73 2d3i h ALA 67 N 0.99 1.71 0.00 2.92 0.00 -0.67 -2.41 119.26 121.81 2d3i h ALA 67 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2d3i h ALA 67 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2d3i h ALA 67 CO -0.01 0.10 -0.12 0.41 0.00 0.00 0.00 179.25 179.63 2d3i n GLY 68 N -1.21 -1.52 3.81 0.00 0.00 -0.70 -0.80 105.19 104.78 2d3i n GLY 68 Ca -0.03 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2d3i n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d3i s LEU 69 N -3.54 3.54 0.57 0.99 1.43 -0.91 -3.75 118.68 117.02 2d3i s LEU 69 Ca 0.12 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 2d3i s LEU 69 Cb 0.16 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 2d3i s LEU 69 CO 0.59 -1.01 1.19 0.00 0.23 0.00 0.00 176.35 177.35 2d3i s ALA 70 N -2.48 2.61 -2.24 4.21 0.00 -1.26 -0.81 121.76 121.79 2d3i s ALA 70 Ca 0.62 0.96 0.21 0.00 0.00 0.00 0.00 51.96 53.75 2d3i s ALA 70 Cb -0.14 -3.42 0.85 0.00 0.00 0.00 0.00 23.12 20.40 2d3i s ALA 70 CO 0.35 -1.03 1.60 -0.35 0.00 0.00 0.00 175.76 176.33 2d3i n PRO 71 N -1.45 1.59 -0.02 0.00 -0.04 -1.26 -4.84 135.00 128.98 2d3i n PRO 71 Ca 0.13 -0.88 -0.10 0.00 -0.04 0.00 0.00 63.50 62.60 2d3i n PRO 71 Cb 0.50 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 2d3i n PRO 71 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2d3i h TYR 72 N 1.81 -0.07 -5.66 0.54 0.05 -1.50 -3.48 116.97 108.67 2d3i h TYR 72 Ca 0.00 -0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.36 2d3i h TYR 72 Cb 0.40 0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.10 2d3i h TYR 72 CO 0.08 0.52 -0.64 1.63 -1.05 0.00 0.00 178.16 178.70 2d3i n LYS 73 N -4.77 -4.17 -1.93 4.88 4.76 0.01 -4.90 118.16 112.05 2d3i n LYS 73 Ca -0.07 0.56 -0.32 0.00 -2.87 0.00 0.00 58.31 55.60 2d3i n LYS 73 Cb 0.30 -5.34 0.02 0.00 -1.84 0.00 0.00 35.03 28.17 2d3i n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d3i s LEU 74 N -6.80 3.39 0.10 -0.35 1.43 0.02 -4.62 118.68 111.85 2d3i s LEU 74 Ca 0.49 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.38 2d3i s LEU 74 Cb -0.25 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 2d3i s LEU 74 CO 0.60 -1.17 -0.20 -1.59 0.23 0.00 0.00 176.35 174.22 2d3i s LYS 75 N -4.42 1.09 -0.15 1.70 -2.85 -0.18 -3.94 119.74 110.99 2d3i s LYS 75 Ca 0.61 -1.15 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 2d3i s LYS 75 Cb -0.14 -1.30 -0.02 0.00 -2.06 0.00 0.00 37.83 34.30 2d3i s LYS 75 CO 0.43 0.30 1.33 -2.14 0.10 0.00 0.00 175.35 175.36 2d3i s PRO 76 N -1.96 4.22 -0.01 1.78 0.02 -1.26 -1.41 135.00 136.38 2d3i s PRO 76 Ca 0.06 1.75 0.08 0.00 0.02 0.00 0.00 61.00 62.91 2d3i s PRO 76 Cb -0.10 -3.80 -0.12 0.00 0.02 0.00 0.00 34.50 30.50 2d3i s PRO 76 CO 0.04 -0.73 0.17 0.44 -0.33 0.00 0.00 177.00 176.59 2d3i n ILE 77 N 5.39 0.01 -3.80 2.83 -5.35 0.22 -4.73 119.36 113.93 2d3i n ILE 77 Ca 0.14 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 2d3i n ILE 77 Cb 0.44 0.30 -0.14 0.00 -1.74 0.00 0.00 39.64 38.50 2d3i n ILE 77 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2d3i s ALA 78 N -2.55 -0.20 -0.03 -1.28 0.00 -1.18 -0.84 121.76 115.68 2d3i s ALA 78 Ca -0.03 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2d3i s ALA 78 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2d3i s ALA 78 CO 0.33 -0.09 -0.23 0.00 0.00 0.00 0.00 175.76 175.77 2d3i s ALA 79 N 0.57 2.29 0.62 0.00 0.00 0.68 -0.03 121.76 125.89 2d3i s ALA 79 Ca -0.04 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 2d3i s ALA 79 Cb -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2d3i s ALA 79 CO -0.02 0.54 1.15 -1.21 0.00 0.00 0.00 175.76 176.22 2d3i s GLU 80 N -0.64 2.91 -0.08 0.00 2.02 -0.45 -0.12 118.70 122.35 2d3i s GLU 80 Ca 0.10 1.61 0.05 0.00 0.02 0.00 0.00 54.97 56.75 2d3i s GLU 80 Cb -0.10 -1.95 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 2d3i s GLU 80 CO -0.01 -1.20 -0.23 0.08 0.02 0.00 0.00 175.26 173.93 2d3i s VAL 81 N -1.94 1.90 0.14 2.63 1.01 0.97 -4.32 120.40 120.79 2d3i s VAL 81 Ca 0.72 -0.95 0.11 0.00 0.00 0.00 0.00 61.98 61.86 2d3i s VAL 81 Cb -0.25 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2d3i s VAL 81 CO 0.36 0.53 -0.25 -0.31 0.00 0.00 0.00 175.10 175.42 2d3i s TYR 82 N 0.15 2.34 0.28 5.22 2.02 -0.28 -0.12 117.35 126.95 2d3i s TYR 82 Ca -0.11 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 55.93 2d3i s TYR 82 Cb -0.16 -1.25 -0.10 0.00 -0.40 0.00 0.00 41.96 40.06 2d3i s TYR 82 CO 0.06 0.37 1.39 -1.21 -1.57 0.00 0.00 175.55 174.59 2d3i s GLU 83 N -2.16 4.30 -0.11 -0.62 2.02 -1.26 -1.83 118.70 119.03 2d3i s GLU 83 Ca 0.15 2.27 -0.07 0.00 0.02 0.00 0.00 54.97 57.35 2d3i s GLU 83 Cb -0.10 -3.10 0.04 0.00 0.10 0.00 0.00 34.13 31.08 2d3i s GLU 83 CO 0.07 -0.34 0.28 -1.01 0.02 0.00 0.00 175.26 174.28 2d3i s HIS 84 N -0.43 -0.36 0.18 1.61 3.76 -1.26 -4.82 115.29 113.97 2d3i s HIS 84 Ca 0.55 0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 56.13 2d3i s HIS 84 Cb -0.41 0.09 0.12 0.00 1.11 0.00 0.00 32.58 33.50 2d3i s HIS 84 CO 0.47 -0.22 1.64 1.79 -0.85 0.00 0.00 174.74 177.57 2d3i h THR 85 N 5.51 0.46 -0.02 1.30 1.35 -2.00 0.78 112.91 120.28 2d3i h THR 85 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2d3i h THR 85 Cb 1.17 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2d3i h THR 85 CO 0.35 0.00 0.02 1.05 -0.25 0.00 0.00 175.52 176.70 2d3i h GLU 86 N -0.07 0.00 0.00 4.72 4.11 -2.02 -3.45 114.58 117.88 2d3i h GLU 86 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2d3i h GLU 86 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2d3i h GLU 86 CO -0.49 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.00 2d3i n GLY 87 N -1.30 3.74 3.61 1.06 0.00 0.27 -5.08 105.19 107.49 2d3i n GLY 87 Ca -0.03 -0.56 -0.54 0.00 0.00 0.00 0.00 46.02 44.89 2d3i n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d3i n SER 88 N 0.00 1.71 -3.34 1.61 3.41 -1.09 -4.35 113.62 111.56 2d3i n SER 88 Ca 0.00 1.11 -0.20 0.00 -0.26 0.00 0.00 58.87 59.52 2d3i n SER 88 Cb 0.00 -1.16 -0.06 0.00 -0.26 0.00 0.00 64.21 62.72 2d3i n SER 88 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2d3i n THR 89 N 2.92 0.00 -1.92 6.66 5.66 -0.76 -4.86 114.28 121.97 2d3i n THR 89 Ca 0.20 -2.07 -0.37 0.00 -3.05 0.00 0.00 64.05 58.77 2d3i n THR 89 Cb 0.17 0.84 0.01 0.00 -1.55 0.00 0.00 70.33 69.80 2d3i n THR 89 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2d3i n THR 90 N -0.71 4.06 -3.51 1.09 -2.24 -1.26 -1.13 114.28 110.58 2d3i n THR 90 Ca -0.01 -4.22 -0.14 0.00 -2.27 0.00 0.00 64.05 57.41 2d3i n THR 90 Cb 0.53 -1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.26 2d3i n THR 90 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2d3i s SER 91 N -0.62 -0.52 0.27 3.42 1.04 -1.26 -1.19 113.70 114.85 2d3i s SER 91 Ca 0.52 0.17 0.02 0.00 0.48 0.00 0.00 55.95 57.15 2d3i s SER 91 Cb 0.36 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.99 2d3i s SER 91 CO -0.30 -0.81 0.15 -0.72 0.98 0.00 0.00 173.24 172.55 2d3i s TYR 92 N -2.82 1.50 -0.16 5.02 1.13 -0.20 -4.71 117.35 117.11 2d3i s TYR 92 Ca -0.03 -1.37 -0.05 0.00 -1.41 0.00 0.00 57.07 54.21 2d3i s TYR 92 Cb -0.00 -0.78 -0.03 0.00 -1.10 0.00 0.00 41.96 40.04 2d3i s TYR 92 CO -0.05 -0.55 0.01 0.71 -2.51 0.00 0.00 175.55 173.16 2d3i s TYR 93 N -3.74 3.14 -0.11 -3.49 2.02 -1.26 -0.47 117.35 113.42 2d3i s TYR 93 Ca 0.37 -0.07 -0.24 0.00 -0.37 0.00 0.00 57.07 56.76 2d3i s TYR 93 Cb 0.06 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2d3i s TYR 93 CO 0.17 0.12 0.73 0.00 -1.57 0.00 0.00 175.55 174.99 2d3i s ALA 94 N 0.18 3.42 0.15 3.71 0.00 -0.15 -1.28 121.76 127.79 2d3i s ALA 94 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.07 2d3i s ALA 94 Cb -0.13 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2d3i s ALA 94 CO 0.02 -0.33 -0.13 0.14 0.00 0.00 0.00 175.76 175.46 2d3i s VAL 95 N 1.35 1.38 -0.36 0.00 -7.23 -0.02 -0.84 120.40 114.68 2d3i s VAL 95 Ca 0.36 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 2d3i s VAL 95 Cb -0.17 -1.77 0.08 0.00 0.56 0.00 0.00 36.38 35.07 2d3i s VAL 95 CO 0.15 -0.58 0.12 0.00 -0.31 0.00 0.00 175.10 174.49 2d3i s ALA 96 N -2.76 3.03 -0.08 1.32 0.00 -1.26 -1.89 121.76 120.11 2d3i s ALA 96 Ca 0.15 -2.13 -0.07 0.00 0.00 0.00 0.00 51.96 49.91 2d3i s ALA 96 Cb -0.01 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2d3i s ALA 96 CO 0.03 -1.54 0.17 0.54 0.00 0.00 0.00 175.76 174.96 2d3i s VAL 97 N 1.24 5.45 0.37 0.00 0.11 -0.39 -0.12 120.40 127.06 2d3i s VAL 97 Ca 0.02 0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.29 2d3i s VAL 97 Cb -0.21 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2d3i s VAL 97 CO -0.02 0.55 0.12 0.68 -3.33 0.00 0.00 175.10 173.10 2d3i s VAL 98 N -1.10 0.65 0.03 2.04 -7.23 -0.02 -1.03 120.40 113.74 2d3i s VAL 98 Ca 0.19 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.15 2d3i s VAL 98 Cb -0.12 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 2d3i s VAL 98 CO 0.08 0.00 0.62 -0.54 -0.31 0.00 0.00 175.10 174.95 2d3i s LYS 99 N -3.77 4.32 0.38 4.82 1.02 -1.26 -1.51 119.74 123.74 2d3i s LYS 99 Ca 0.29 0.79 -0.28 0.00 0.02 0.00 0.00 55.97 56.80 2d3i s LYS 99 Cb 0.04 -3.31 -0.11 0.00 -0.52 0.00 0.00 37.83 33.94 2d3i s LYS 99 CO 0.15 0.45 1.43 1.17 -0.92 0.00 0.00 175.35 177.64 2d3i n LYS 100 N 2.36 2.48 -0.63 1.68 4.81 0.58 -2.94 118.16 126.50 2d3i n LYS 100 Ca -0.07 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 2d3i n LYS 100 Cb 0.51 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.98 2d3i n LYS 100 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d3i n GLY 101 N 0.55 0.73 0.52 3.14 0.00 -1.26 -4.93 105.19 103.93 2d3i n GLY 101 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 2d3i n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d3i n THR 102 N -2.43 0.02 0.00 2.61 -2.24 -1.15 -4.95 114.28 106.14 2d3i n THR 102 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2d3i n THR 102 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2d3i n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2d3i n GLU 103 N 0.26 0.00 -1.72 -0.78 1.02 -1.26 -4.92 120.64 113.25 2d3i n GLU 103 Ca 0.18 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.95 2d3i n GLU 103 Cb 0.37 -0.92 0.06 0.00 -0.02 0.00 0.00 31.44 30.93 2d3i n GLU 103 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2d3i n PHE 104 N 0.00 1.86 -4.17 -0.32 1.16 -1.26 -5.03 117.46 109.70 2d3i n PHE 104 Ca 0.00 0.42 -0.29 0.00 -1.87 0.00 0.00 57.45 55.72 2d3i n PHE 104 Cb 0.00 -2.27 -0.02 0.00 -1.61 0.00 0.00 39.48 35.58 2d3i n PHE 104 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2d3i s THR 105 N -1.38 1.38 0.55 1.97 -4.23 -1.26 -4.97 115.64 107.70 2d3i s THR 105 Ca 0.80 -1.65 0.28 0.00 -1.18 0.00 0.00 61.69 59.94 2d3i s THR 105 Cb -0.39 -2.03 0.41 0.00 1.34 0.00 0.00 72.50 71.83 2d3i s THR 105 CO 0.43 0.00 1.96 1.62 -0.54 0.00 0.00 174.62 178.09 2d3i h VAL 106 N 0.87 0.60 0.00 2.29 3.04 -1.81 0.14 116.25 121.38 2d3i h VAL 106 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2d3i h VAL 106 Cb 1.31 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2d3i h VAL 106 CO 0.62 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.77 2d3i n ASN 107 N -4.18 0.00 -0.87 3.17 3.02 -1.26 -3.47 115.26 111.67 2d3i n ASN 107 Ca 0.11 0.39 0.07 0.00 -0.03 0.00 0.00 54.58 55.12 2d3i n ASN 107 Cb 0.68 -0.46 0.24 0.00 -0.61 0.00 0.00 39.78 39.63 2d3i n ASN 107 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2d3i n ASP 108 N -1.46 3.61 0.27 6.41 8.00 0.48 -4.68 116.55 129.18 2d3i n ASP 108 Ca 0.08 -3.12 0.17 0.00 0.71 0.00 0.00 54.79 52.63 2d3i n ASP 108 Cb 0.32 -0.55 0.69 0.00 -0.02 0.00 0.00 41.12 41.56 2d3i n ASP 108 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d3i h LEU 109 N 1.56 0.00 -9.54 0.64 3.38 -1.58 -3.43 115.31 106.34 2d3i h LEU 109 Ca 0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.47 2d3i h LEU 109 Cb 1.45 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.24 2d3i h LEU 109 CO 0.23 0.03 1.02 -1.58 0.09 0.00 0.00 178.44 178.23 2d3i s GLN 110 N -3.70 4.17 0.00 1.13 0.74 -1.26 -1.80 119.66 118.94 2d3i s GLN 110 Ca 0.01 2.47 0.00 0.00 0.05 0.00 0.00 55.36 57.89 2d3i s GLN 110 Cb 0.09 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2d3i s GLN 110 CO 0.55 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 2d3i n GLY 111 N 4.03 0.77 3.96 2.59 0.00 -0.44 -4.99 105.19 111.10 2d3i n GLY 111 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2d3i n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3i s LYS 112 N -0.53 2.99 0.13 1.61 -0.14 -0.74 -4.21 119.74 118.83 2d3i s LYS 112 Ca 0.00 -0.60 -0.06 0.00 -1.36 0.00 0.00 55.97 53.95 2d3i s LYS 112 Cb 0.00 -2.58 -0.06 0.00 -1.68 0.00 0.00 37.83 33.52 2d3i s LYS 112 CO 0.00 -0.30 0.38 0.95 -0.76 0.00 0.00 175.35 175.62 2d3i s THR 113 N -2.55 5.15 0.05 2.17 -4.23 -1.26 -1.38 115.64 113.60 2d3i s THR 113 Ca 0.49 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 2d3i s THR 113 Cb -0.10 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 2d3i s THR 113 CO 0.37 0.10 -0.09 -0.94 -0.54 0.00 0.00 174.62 173.53 2d3i s SER 114 N -2.25 0.99 -0.11 3.99 1.04 -0.57 -0.66 113.70 116.14 2d3i s SER 114 Ca 0.39 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.28 2d3i s SER 114 Cb -0.12 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 2d3i s SER 114 CO 0.23 -0.19 -0.21 0.00 0.98 0.00 0.00 173.24 174.05 2d3i s HIS 116 N 0.41 1.86 0.24 0.00 3.76 -0.23 -1.62 115.29 119.71 2d3i s HIS 116 Ca -0.16 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 2d3i s HIS 116 Cb -0.17 -0.97 0.27 0.00 1.11 0.00 0.00 32.58 32.82 2d3i s HIS 116 CO 0.07 0.28 1.60 1.79 -0.85 0.00 0.00 174.74 177.63 2d3i h THR 117 N 3.65 1.32 0.00 1.30 1.35 -1.74 -3.40 112.91 115.40 2d3i h THR 117 Ca -0.45 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 2d3i h THR 117 Cb 1.19 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2d3i h THR 117 CO 0.45 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 2d3i n GLY 118 N 0.03 2.56 3.74 5.82 0.00 -1.26 -1.54 105.19 114.54 2d3i n GLY 118 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2d3i n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d3i s LEU 119 N 0.00 4.36 0.00 0.99 2.96 -0.06 -2.65 118.68 124.28 2d3i s LEU 119 Ca 0.00 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2d3i s LEU 119 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2d3i s LEU 119 CO 0.00 -0.85 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 2d3i n GLY 120 N 2.71 0.87 3.86 7.98 0.00 -1.26 -5.00 105.19 114.35 2d3i n GLY 120 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2d3i n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d3i s ARG 121 N -0.11 3.92 0.00 1.61 0.52 -1.09 -4.12 118.95 119.68 2d3i s ARG 121 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2d3i s ARG 121 Cb 0.00 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.00 2d3i s ARG 121 CO 0.00 0.16 0.81 0.43 0.02 0.00 0.00 175.30 176.72 2d3i n SER 122 N -0.48 0.00 -0.08 0.23 7.64 -1.26 -0.50 113.62 119.17 2d3i n SER 122 Ca 0.03 0.81 -0.07 0.00 1.01 0.00 0.00 58.87 60.65 2d3i n SER 122 Cb 0.53 -0.31 0.10 0.00 -1.01 0.00 0.00 64.21 63.52 2d3i n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d3i h ALA 123 N -1.76 0.91 0.00 -0.43 0.00 -1.91 -0.29 119.26 115.78 2d3i h ALA 123 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2d3i h ALA 123 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2d3i h ALA 123 CO 0.00 0.62 -0.07 0.78 0.00 0.00 0.00 179.25 180.58 2d3i h GLY 124 N 0.97 0.00 0.00 0.00 0.00 -1.64 -3.39 103.07 99.01 2d3i h GLY 124 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2d3i h GLY 124 CO 0.05 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.46 2d3i n TRP 125 N -2.31 -2.69 -0.16 5.60 -0.00 -0.10 -4.24 117.44 113.54 2d3i n TRP 125 Ca 0.05 0.64 -0.02 0.00 -0.00 0.00 0.00 57.50 58.17 2d3i n TRP 125 Cb 0.44 1.42 0.07 0.00 -0.00 0.00 0.00 31.31 33.23 2d3i n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2d3i h ASN 126 N 0.00 -0.18 0.61 5.87 -0.26 -0.73 -0.41 115.58 120.49 2d3i h ASN 126 Ca 0.00 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.83 2d3i h ASN 126 Cb 0.00 0.20 0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2d3i h ASN 126 CO 0.00 -0.06 -0.29 0.40 -1.06 0.00 0.00 177.43 176.42 2d3i h ILE 127 N 0.14 0.00 -0.11 2.81 1.08 -1.26 -1.02 117.51 119.15 2d3i h ILE 127 Ca 0.26 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2d3i h ILE 127 Cb 0.39 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 2d3i h ILE 127 CO -0.41 0.00 0.01 1.55 -0.69 0.00 0.00 178.15 178.61 2d3i h PRO 128 N -1.15 0.05 -0.33 2.37 0.13 -1.76 0.62 132.00 131.93 2d3i h PRO 128 Ca -0.08 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 2d3i h PRO 128 Cb 0.63 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 2d3i h PRO 128 CO 0.14 0.03 -0.13 0.82 -0.23 0.00 0.00 178.00 178.64 2d3i h ILE 129 N 0.05 1.29 -0.83 -3.56 1.08 -1.20 -1.01 117.51 113.32 2d3i h ILE 129 Ca 0.05 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.32 2d3i h ILE 129 Cb 0.05 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.13 2d3i h ILE 129 CO -0.07 0.40 0.55 1.23 -0.69 0.00 0.00 178.15 179.56 2d3i h GLY 130 N 0.45 1.18 0.87 5.37 0.00 -1.08 -1.27 103.07 108.59 2d3i h GLY 130 Ca 0.08 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2d3i h GLY 130 CO 0.04 0.41 -0.11 -0.84 0.00 0.00 0.00 176.54 176.03 2d3i h THR 131 N 1.10 1.29 0.00 4.70 2.02 -0.58 -0.97 112.91 120.48 2d3i h THR 131 Ca 0.31 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 2d3i h THR 131 Cb -0.08 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2d3i h THR 131 CO -0.08 0.37 -0.34 -0.07 0.37 0.00 0.00 175.52 175.77 2d3i h LEU 132 N 0.28 0.00 -0.15 2.58 3.38 -0.90 -1.02 115.31 119.49 2d3i h LEU 132 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2d3i h LEU 132 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2d3i h LEU 132 CO 0.04 0.34 -0.44 0.40 0.09 0.00 0.00 178.44 178.87 2d3i h ILE 133 N 0.00 1.35 -0.74 1.22 2.04 -1.12 0.82 117.51 121.07 2d3i h ILE 133 Ca -0.00 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 2d3i h ILE 133 Cb 0.61 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 2d3i h ILE 133 CO 0.04 0.52 0.45 -0.74 0.00 0.00 0.00 178.15 178.43 2d3i h HIS 134 N 0.19 0.98 0.00 1.37 2.76 -0.72 -1.65 115.15 118.08 2d3i h HIS 134 Ca -0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2d3i h HIS 134 Cb 1.06 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2d3i h HIS 134 CO 0.10 0.65 0.00 0.54 -1.30 0.00 0.00 177.93 177.92 2d3i n ARG 135 N -4.51 0.07 -0.70 5.26 1.74 -0.43 -4.89 116.66 113.19 2d3i n ARG 135 Ca 0.07 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2d3i n ARG 135 Cb 0.05 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2d3i n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d3i n GLY 136 N 0.52 0.71 0.17 -0.13 0.00 -0.62 -4.93 105.19 100.92 2d3i n GLY 136 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2d3i n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d3i h ALA 137 N 0.00 0.28 -2.66 4.61 0.00 -1.11 -3.39 119.26 116.99 2d3i h ALA 137 Ca 0.00 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.86 2d3i h ALA 137 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 2d3i h ALA 137 CO 0.00 0.30 -0.22 0.42 0.00 0.00 0.00 179.25 179.75 2d3i s ILE 138 N -4.09 5.15 -0.53 0.00 1.01 -0.68 -5.00 121.20 117.06 2d3i s ILE 138 Ca -0.13 0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 2d3i s ILE 138 Cb 0.06 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2d3i s ILE 138 CO 0.80 0.05 1.20 -1.61 0.00 0.00 0.00 174.94 175.38 2d3i s GLU 139 N 2.10 3.59 -0.29 2.79 2.02 -1.26 -4.34 118.70 123.30 2d3i s GLU 139 Ca 0.15 0.43 -0.04 0.00 0.02 0.00 0.00 54.97 55.52 2d3i s GLU 139 Cb -0.16 -3.98 0.16 0.00 0.10 0.00 0.00 34.13 30.25 2d3i s GLU 139 CO 0.11 -1.58 0.58 -0.46 0.02 0.00 0.00 175.26 173.94 2d3i s TRP 140 N 4.86 -1.40 -0.59 1.61 -0.00 -1.26 -4.88 118.94 117.28 2d3i s TRP 140 Ca 0.47 1.83 0.23 0.00 -0.00 0.00 0.00 56.10 58.62 2d3i s TRP 140 Cb -0.08 0.58 0.01 0.00 -0.00 0.00 0.00 33.47 33.99 2d3i s TRP 140 CO 0.28 -0.77 0.99 0.39 -0.00 0.00 0.00 176.95 177.84 2d3i n GLU 141 N 5.43 0.30 -3.07 5.86 -0.58 -1.26 -4.99 120.64 122.32 2d3i n GLU 141 Ca -0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2d3i n GLU 141 Cb 0.50 -1.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2d3i n GLU 141 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2d3i n GLY 142 N 1.37 -1.23 0.41 0.62 0.00 -1.26 -4.24 105.19 100.85 2d3i n GLY 142 Ca 0.02 -1.42 0.21 0.00 0.00 0.00 0.00 46.02 44.83 2d3i n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d3i h ILE 143 N 0.00 0.65 0.00 -0.61 1.08 -1.28 -0.83 117.51 116.52 2d3i h ILE 143 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2d3i h ILE 143 Cb 0.00 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 2d3i h ILE 143 CO 0.00 0.06 0.00 -0.62 -0.69 0.00 0.00 178.15 176.90 2d3i n GLU 144 N -4.48 0.68 -0.36 2.37 1.02 -1.26 -2.44 120.64 116.17 2d3i n GLU 144 Ca 0.20 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2d3i n GLU 144 Cb 0.75 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 30.98 2d3i n GLU 144 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2d3i n SER 145 N -1.10 3.85 0.00 1.62 3.41 -0.32 -5.05 113.62 116.03 2d3i n SER 145 Ca 0.18 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 2d3i n SER 145 Cb 0.13 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2d3i n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d3i n GLY 146 N 1.64 1.06 3.78 5.00 0.00 -1.02 -4.96 105.19 110.69 2d3i n GLY 146 Ca 0.24 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 2d3i n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d3i s SER 147 N 0.00 4.82 0.22 1.61 1.04 -1.26 -4.61 113.70 115.52 2d3i s SER 147 Ca 0.00 1.85 -0.04 0.00 0.48 0.00 0.00 55.95 58.24 2d3i s SER 147 Cb 0.00 -2.53 0.20 0.00 0.10 0.00 0.00 66.02 63.79 2d3i s SER 147 CO 0.00 -1.82 1.64 0.58 0.98 0.00 0.00 173.24 174.62 2d3i h VAL 148 N -0.69 1.27 -0.80 5.02 2.07 -1.95 -2.76 116.25 118.41 2d3i h VAL 148 Ca -0.45 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2d3i h VAL 148 Cb 1.23 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 2d3i h VAL 148 CO 0.53 0.44 0.53 -0.33 0.02 0.00 0.00 177.57 178.76 2d3i h GLU 149 N 0.68 0.97 -0.49 1.57 5.08 -1.99 -0.66 114.58 119.73 2d3i h GLU 149 Ca 0.10 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2d3i h GLU 149 Cb 0.71 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2d3i h GLU 149 CO 0.05 0.64 -0.08 0.37 -1.00 0.00 0.00 179.01 178.99 2d3i h GLN 150 N 1.00 0.93 -0.30 2.33 4.15 -1.87 0.48 115.11 121.82 2d3i h GLN 150 Ca 0.31 -0.34 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2d3i h GLN 150 Cb 0.02 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2d3i h GLN 150 CO -0.09 0.99 -0.22 0.00 -1.93 0.00 0.00 178.83 177.58 2d3i h ALA 151 N 0.90 1.06 -0.30 3.38 0.00 -1.16 -1.83 119.26 121.31 2d3i h ALA 151 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2d3i h ALA 151 Cb 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2d3i h ALA 151 CO 0.04 0.57 -0.47 0.28 0.00 0.00 0.00 179.25 179.67 2d3i h VAL 152 N 0.50 1.28 0.00 0.00 2.07 -0.86 -1.76 116.25 117.48 2d3i h VAL 152 Ca 0.08 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.90 2d3i h VAL 152 Cb 0.66 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2d3i h VAL 152 CO 0.05 0.54 -0.18 0.00 0.02 0.00 0.00 177.57 177.99 2d3i h ALA 153 N 0.69 1.32 0.00 1.67 0.00 -0.74 -1.25 119.26 120.95 2d3i h ALA 153 Ca 0.03 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2d3i h ALA 153 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2d3i h ALA 153 CO 0.11 0.23 -0.84 -0.22 0.00 0.00 0.00 179.25 178.53 2d3i h LYS 154 N 0.00 0.00 0.16 0.00 3.64 -1.07 -3.38 116.57 115.92 2d3i h LYS 154 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2d3i h LYS 154 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2d3i h LYS 154 CO 0.02 0.81 -0.08 0.35 -2.27 0.00 0.00 179.45 178.29 2d3i h PHE 155 N 0.00 -0.20 -3.79 1.91 3.57 -0.37 -3.46 116.94 114.61 2d3i h PHE 155 Ca -0.01 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.00 2d3i h PHE 155 Cb 1.64 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.42 2d3i h PHE 155 CO 0.00 -0.12 0.28 -0.06 -2.23 0.00 0.00 178.31 176.18 2d3i s PHE 156 N -2.21 3.71 0.26 0.41 0.08 -0.58 -1.33 117.98 118.32 2d3i s PHE 156 Ca -0.03 1.69 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 2d3i s PHE 156 Cb 0.00 -2.85 0.33 0.00 -0.57 0.00 0.00 43.02 39.93 2d3i s PHE 156 CO 0.09 0.27 1.82 0.66 -0.10 0.00 0.00 175.22 177.96 2d3i h SER 157 N 3.33 0.88 -4.49 1.36 4.64 -1.39 -3.43 113.55 114.44 2d3i h SER 157 Ca -0.47 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 60.74 2d3i h SER 157 Cb 1.19 -0.23 -0.21 0.00 -0.31 0.00 0.00 62.40 62.85 2d3i h SER 157 CO 0.65 0.83 0.41 0.00 -0.87 0.00 0.00 176.83 177.85 2d3i s ALA 158 N -5.34 -1.86 0.27 5.18 0.00 -1.26 -5.03 121.76 113.73 2d3i s ALA 158 Ca -0.11 1.41 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 2d3i s ALA 158 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2d3i s ALA 158 CO 0.81 -0.38 0.40 -1.12 0.00 0.00 0.00 175.76 175.48 2d3i s SER 159 N -1.30 0.33 -0.26 0.00 0.01 -0.78 -1.50 113.70 110.19 2d3i s SER 159 Ca -0.04 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.00 2d3i s SER 159 Cb -0.00 0.57 0.07 0.00 0.21 0.00 0.00 66.02 66.87 2d3i s SER 159 CO 0.03 -1.14 -0.01 0.00 0.41 0.00 0.00 173.24 172.54 2d3i s VAL 161 N 1.35 1.93 -0.15 0.00 1.01 0.28 -1.06 120.40 123.75 2d3i s VAL 161 Ca -0.00 -3.16 -0.38 0.00 0.00 0.00 0.00 61.98 58.43 2d3i s VAL 161 Cb -0.19 -2.32 -0.15 0.00 0.00 0.00 0.00 36.38 33.72 2d3i s VAL 161 CO -0.10 -0.94 1.67 -2.65 0.00 0.00 0.00 175.10 173.09 2d3i n PRO 162 N 2.99 1.34 0.00 2.72 -0.02 -1.26 -1.09 135.00 139.68 2d3i n PRO 162 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2d3i n PRO 162 Cb 0.35 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2d3i n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d3i n GLY 163 N 3.82 0.16 3.74 -1.23 0.00 0.20 -0.88 105.19 110.99 2d3i n GLY 163 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2d3i n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d3i s ALA 164 N -2.00 3.65 0.00 4.61 0.00 -0.25 -4.84 121.76 122.93 2d3i s ALA 164 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2d3i s ALA 164 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2d3i s ALA 164 CO 0.00 -0.73 0.48 0.25 0.00 0.00 0.00 175.76 175.76 2d3i n THR 165 N 2.76 0.13 -0.06 0.00 -2.24 -1.26 -4.85 114.28 108.75 2d3i n THR 165 Ca 0.08 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 2d3i n THR 165 Cb 0.40 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 2d3i n THR 165 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2d3i n ILE 166 N -0.06 0.71 -3.71 2.28 5.41 -1.26 -4.99 119.36 117.73 2d3i n ILE 166 Ca 0.00 -0.22 -0.38 0.00 1.00 0.00 0.00 62.75 63.15 2d3i n ILE 166 Cb 0.09 -1.32 -0.12 0.00 -0.71 0.00 0.00 39.64 37.58 2d3i n ILE 166 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2d3i s GLU 167 N -2.24 3.32 0.41 0.38 0.41 -1.26 -4.96 118.70 114.75 2d3i s GLU 167 Ca -0.17 -0.72 0.11 0.00 -0.41 0.00 0.00 54.97 53.78 2d3i s GLU 167 Cb 0.06 -3.45 0.94 0.00 -1.78 0.00 0.00 34.13 29.90 2d3i s GLU 167 CO 0.25 -0.38 1.97 1.96 -0.49 0.00 0.00 175.26 178.58 2d3i h GLN 168 N 8.29 0.50 -0.54 1.61 4.20 -1.95 -1.58 115.11 125.64 2d3i h GLN 168 Ca -0.33 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 58.46 2d3i h GLN 168 Cb 1.14 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2d3i h GLN 168 CO 0.60 0.33 0.37 0.87 -0.67 0.00 0.00 178.83 180.33 2d3i h LYS 169 N 0.51 0.25 0.00 1.46 1.57 -1.93 -0.58 116.57 117.85 2d3i h LYS 169 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2d3i h LYS 169 Cb 0.45 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2d3i h LYS 169 CO -0.09 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.24 2d3i n LEU 170 N -4.45 0.00 -0.00 2.94 4.77 -0.59 -1.87 117.00 117.80 2d3i n LEU 170 Ca 0.09 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2d3i n LEU 170 Cb 0.42 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2d3i n LEU 170 CO 0.35 -0.01 -0.26 0.00 -1.33 0.00 0.00 177.39 176.14 2d3i h ARG 172 N 0.00 0.44 -0.01 0.00 2.43 -1.22 -0.58 114.38 115.44 2d3i h ARG 172 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2d3i h ARG 172 Cb 0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2d3i h ARG 172 CO 0.00 0.29 -0.09 1.04 -1.51 0.00 0.00 179.97 179.70 2d3i n GLN 173 N -4.75 1.30 -2.33 0.20 1.13 -0.50 -4.94 117.38 107.50 2d3i n GLN 173 Ca 0.27 -0.72 -0.38 0.00 -1.94 0.00 0.00 57.00 54.22 2d3i n GLN 173 Cb 0.85 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.70 2d3i n GLN 173 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d3i s LYS 175 N -2.27 3.73 0.00 0.00 2.20 -1.26 -4.97 119.74 117.16 2d3i s LYS 175 Ca 0.56 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2d3i s LYS 175 Cb -0.30 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2d3i s LYS 175 CO 0.38 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.42 2d3i n GLY 176 N 1.33 0.56 3.77 5.54 0.00 -1.26 -4.40 105.19 110.73 2d3i n GLY 176 Ca -0.12 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 2d3i n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d3i s ASP 177 N -4.00 5.93 0.27 1.61 1.01 -1.26 -4.73 116.67 115.49 2d3i s ASP 177 Ca 0.00 2.32 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 2d3i s ASP 177 Cb 0.00 -2.60 0.58 0.00 1.01 0.00 0.00 42.92 41.91 2d3i s ASP 177 CO 0.00 -1.09 1.68 -0.65 0.21 0.00 0.00 175.17 175.33 2d3i h PRO 178 N 1.73 0.30 0.00 8.23 0.11 -1.99 0.24 132.00 140.62 2d3i h PRO 178 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2d3i h PRO 178 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2d3i h PRO 178 CO 0.59 0.20 -0.37 0.87 -0.21 0.00 0.00 178.00 179.08 2d3i h LYS 179 N 0.31 0.00 0.00 1.05 6.56 -2.03 -3.38 116.57 119.07 2d3i h LYS 179 Ca 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.07 2d3i h LYS 179 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2d3i h LYS 179 CO -0.54 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.10 2d3i n THR 180 N -2.25 0.24 0.29 -0.16 -2.24 -0.92 -4.74 114.28 104.49 2d3i n THR 180 Ca 0.04 -0.43 0.18 0.00 -2.27 0.00 0.00 64.05 61.57 2d3i n THR 180 Cb 0.45 1.11 0.80 0.00 -2.10 0.00 0.00 70.33 70.59 2d3i n THR 180 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2d3i h LYS 181 N 0.00 0.00 -0.63 -0.78 2.10 -0.72 -2.61 116.57 113.93 2d3i h LYS 181 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2d3i h LYS 181 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2d3i h LYS 181 CO 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 177.47 2d3i s ALA 183 N -1.14 2.47 0.08 0.00 0.00 -0.98 -0.63 121.76 121.56 2d3i s ALA 183 Ca 0.43 0.65 0.30 0.00 0.00 0.00 0.00 51.96 53.34 2d3i s ALA 183 Cb 0.24 -3.35 1.59 0.00 0.00 0.00 0.00 23.12 21.60 2d3i s ALA 183 CO 0.28 -1.26 1.92 0.00 0.00 0.00 0.00 175.76 176.70 2d3i h ARG 184 N 0.21 0.00 -0.10 0.00 3.08 -1.91 -1.74 114.38 113.92 2d3i h ARG 184 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2d3i h ARG 184 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2d3i h ARG 184 CO 0.54 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.71 2d3i n ASN 185 N -2.57 2.95 -4.66 7.04 2.04 -1.26 -4.61 115.26 114.18 2d3i n ASN 185 Ca -0.02 -3.06 -0.29 0.00 -0.44 0.00 0.00 54.58 50.78 2d3i n ASN 185 Cb 0.08 -0.47 0.18 0.00 -2.53 0.00 0.00 39.78 37.04 2d3i n ASN 185 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2d3i s ALA 186 N -2.86 0.81 0.34 -2.53 0.00 -0.66 -4.85 121.76 112.01 2d3i s ALA 186 Ca 0.36 -0.35 0.12 0.00 0.00 0.00 0.00 51.96 52.09 2d3i s ALA 186 Cb 0.30 -3.13 0.94 0.00 0.00 0.00 0.00 23.12 21.24 2d3i s ALA 186 CO 0.05 -2.95 1.74 -1.35 0.00 0.00 0.00 175.76 173.25 2d3i h PRO 187 N -1.97 0.52 -0.64 0.00 0.11 -1.85 -0.32 132.00 127.84 2d3i h PRO 187 Ca -0.55 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.53 2d3i h PRO 187 Cb 1.33 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2d3i h PRO 187 CO 0.57 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 2d3i n TYR 188 N -4.82 1.41 -2.61 0.65 4.01 -1.26 -4.43 117.16 110.11 2d3i n TYR 188 Ca 0.27 -0.53 -0.27 0.00 -0.16 0.00 0.00 57.90 57.20 2d3i n TYR 188 Cb 0.79 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 2d3i n TYR 188 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2d3i s SER 189 N -0.77 6.23 0.00 7.72 1.04 -0.13 -2.01 113.70 125.78 2d3i s SER 189 Ca 0.44 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.80 2d3i s SER 189 Cb 0.30 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 64.19 2d3i s SER 189 CO 0.18 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2d3i n GLY 190 N -2.29 -1.61 0.28 7.32 0.00 -0.59 -1.84 105.19 106.46 2d3i n GLY 190 Ca 0.01 -1.52 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 2d3i n GLY 190 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2d3i h TYR 191 N 0.00 0.88 -0.09 1.61 0.05 -1.93 -1.37 116.97 116.12 2d3i h TYR 191 Ca 0.00 0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.62 2d3i h TYR 191 Cb 0.00 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 2d3i h TYR 191 CO 0.00 0.56 -0.69 0.77 -1.05 0.00 0.00 178.16 177.76 2d3i h SER 192 N 0.95 0.44 -0.20 3.88 0.02 -1.92 -2.09 113.55 114.63 2d3i h SER 192 Ca 0.25 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2d3i h SER 192 Cb -0.10 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2d3i h SER 192 CO -0.05 1.00 -0.05 1.23 -1.14 0.00 0.00 176.83 177.82 2d3i h GLY 193 N 1.32 0.41 1.27 -3.77 0.00 -1.17 -1.96 103.07 99.15 2d3i h GLY 193 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.00 2d3i h GLY 193 CO 0.12 0.31 0.44 0.00 0.00 0.00 0.00 176.54 177.41 2d3i h ALA 194 N 0.73 1.59 -0.26 3.60 0.00 -0.63 -0.00 119.26 124.31 2d3i h ALA 194 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2d3i h ALA 194 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2d3i h ALA 194 CO 0.02 0.35 0.04 0.35 0.00 0.00 0.00 179.25 180.01 2d3i h PHE 195 N 0.84 0.45 -0.08 0.00 3.57 -1.21 -2.23 116.94 118.28 2d3i h PHE 195 Ca 0.26 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2d3i h PHE 195 Cb 0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2d3i h PHE 195 CO -0.00 0.54 -0.20 0.45 -2.23 0.00 0.00 178.31 176.87 2d3i h HIS 196 N 0.23 0.14 -0.61 0.41 3.86 -0.67 0.16 115.15 118.67 2d3i h HIS 196 Ca 0.08 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2d3i h HIS 196 Cb 0.33 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2d3i h HIS 196 CO 0.02 0.33 0.33 0.00 0.86 0.00 0.00 177.93 179.46 2d3i h LEU 198 N 0.85 -0.10 -0.95 0.00 6.46 -0.55 -0.97 115.31 120.05 2d3i h LEU 198 Ca 0.22 -0.48 0.13 0.00 -0.12 0.00 0.00 57.88 57.63 2d3i h LEU 198 Cb 0.03 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.90 2d3i h LEU 198 CO -0.03 0.48 0.57 0.50 -0.62 0.00 0.00 178.44 179.33 2d3i h LYS 199 N -0.74 0.84 0.00 1.25 3.64 -0.34 -0.47 116.57 120.74 2d3i h LYS 199 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2d3i h LYS 199 Cb 0.57 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2d3i h LYS 199 CO 0.02 0.56 0.00 -0.25 -2.27 0.00 0.00 179.45 177.51 2d3i n ASP 200 N -4.70 0.00 0.00 4.20 10.43 0.83 -4.87 116.55 122.44 2d3i n ASP 200 Ca 0.18 -0.53 0.00 0.00 2.57 0.00 0.00 54.79 57.01 2d3i n ASP 200 Cb 0.38 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.25 2d3i n ASP 200 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2d3i n GLY 201 N 0.57 0.62 0.10 0.44 0.00 -0.19 -4.91 105.19 101.82 2d3i n GLY 201 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 2d3i n GLY 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d3i n LYS 202 N -2.75 0.57 -3.84 1.61 4.76 -0.39 -4.82 118.16 113.30 2d3i n LYS 202 Ca 0.00 -0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.12 2d3i n LYS 202 Cb 0.00 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.59 2d3i n LYS 202 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2d3i s GLY 203 N -2.57 -0.03 0.26 0.72 0.00 -1.08 -4.58 107.32 100.04 2d3i s GLY 203 Ca 0.26 0.13 0.22 0.00 0.00 0.00 0.00 44.72 45.33 2d3i s GLY 203 CO 0.50 0.01 1.19 -0.55 0.00 0.00 0.00 173.10 174.25 2d3i h ASP 204 N 4.88 0.00 -4.29 1.64 3.45 -1.21 -3.42 116.42 117.47 2d3i h ASP 204 Ca -0.29 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.02 2d3i h ASP 204 Cb 1.19 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.73 2d3i h ASP 204 CO 0.40 0.03 -0.42 0.54 -1.57 0.00 0.00 179.24 178.22 2d3i s VAL 205 N -3.31 0.03 -0.12 -1.35 0.11 -1.18 -4.34 120.40 110.25 2d3i s VAL 205 Ca 0.01 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 2d3i s VAL 205 Cb 0.08 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 2d3i s VAL 205 CO 0.76 -0.13 -0.16 0.00 -3.33 0.00 0.00 175.10 172.23 2d3i s ALA 206 N -0.47 1.83 -0.67 1.54 0.00 -0.19 -0.84 121.76 122.96 2d3i s ALA 206 Ca -0.06 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2d3i s ALA 206 Cb -0.04 -0.90 0.10 0.00 0.00 0.00 0.00 23.12 22.28 2d3i s ALA 206 CO 0.01 -0.12 0.86 -0.06 0.00 0.00 0.00 175.76 176.45 2d3i s PHE 207 N 1.04 2.93 0.00 0.00 0.08 -0.64 -1.26 117.98 120.13 2d3i s PHE 207 Ca -0.05 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.09 2d3i s PHE 207 Cb -0.15 -4.14 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 2d3i s PHE 207 CO -0.03 -1.44 0.00 1.33 -0.10 0.00 0.00 175.22 174.98 2d3i n VAL 208 N 5.61 0.00 -4.28 -0.44 0.24 -0.79 -3.71 118.33 114.96 2d3i n VAL 208 Ca -0.02 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.01 2d3i n VAL 208 Cb 0.45 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.75 2d3i n VAL 208 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2d3i s LYS 209 N 1.55 2.20 0.62 7.34 -2.85 -1.26 -0.84 119.74 126.50 2d3i s LYS 209 Ca 0.00 -2.05 0.37 0.00 -1.00 0.00 0.00 55.97 53.29 2d3i s LYS 209 Cb 0.00 -1.86 2.08 0.00 -2.06 0.00 0.00 37.83 35.99 2d3i s LYS 209 CO 0.00 -0.28 2.30 1.12 0.10 0.00 0.00 175.35 178.59 2d3i h HIS 210 N 1.29 0.00 -0.01 1.78 2.07 -1.54 -2.57 115.15 116.17 2d3i h HIS 210 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 2d3i h HIS 210 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2d3i h HIS 210 CO 0.94 0.01 -0.72 0.25 -3.07 0.00 0.00 177.93 175.34 2d3i n THR 211 N -3.47 0.00 -0.06 6.12 -2.24 -1.26 -4.67 114.28 108.70 2d3i n THR 211 Ca -0.03 -0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 61.58 2d3i n THR 211 Cb 0.09 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 2d3i n THR 211 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2d3i h THR 212 N 0.92 0.51 -0.72 4.28 2.02 -1.86 0.20 112.91 118.26 2d3i h THR 212 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2d3i h THR 212 Cb 0.59 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2d3i h THR 212 CO 0.00 0.00 0.29 0.58 0.37 0.00 0.00 175.52 176.76 2d3i h VAL 213 N -0.16 1.24 -0.22 3.16 2.07 -1.83 -1.76 116.25 118.75 2d3i h VAL 213 Ca 0.14 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 2d3i h VAL 213 Cb 0.38 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2d3i h VAL 213 CO -0.36 0.31 -0.28 -1.13 0.02 0.00 0.00 177.57 176.13 2d3i h ASN 214 N 1.04 0.44 0.45 0.57 -0.73 -1.73 0.23 115.58 115.86 2d3i h ASN 214 Ca 0.24 -0.16 -0.11 0.00 1.87 0.00 0.00 56.30 58.14 2d3i h ASN 214 Cb 0.20 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 2d3i h ASN 214 CO -0.02 0.72 -0.51 -0.33 -0.37 0.00 0.00 177.43 176.92 2d3i h GLU 215 N 0.39 0.07 0.00 6.67 5.08 -0.39 -3.25 114.58 123.15 2d3i h GLU 215 Ca 0.05 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.13 2d3i h GLU 215 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2d3i h GLU 215 CO 0.05 0.56 -1.91 0.09 -1.00 0.00 0.00 179.01 176.81 2d3i n ASN 216 N -3.94 1.77 -2.93 1.42 3.02 -0.72 -3.05 115.26 110.83 2d3i n ASN 216 Ca -0.02 -0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 2d3i n ASN 216 Cb 0.53 0.79 0.03 0.00 -0.61 0.00 0.00 39.78 40.52 2d3i n ASN 216 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d3i n ALA 217 N -2.51 0.39 -0.29 5.41 0.00 0.80 -4.67 120.51 119.64 2d3i n ALA 217 Ca -0.22 -2.30 0.03 0.00 0.00 0.00 0.00 53.44 50.95 2d3i n ALA 217 Cb 0.93 -1.07 0.17 0.00 0.00 0.00 0.00 19.45 19.47 2d3i n ALA 217 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2d3i h PRO 218 N 3.23 0.77 0.00 0.00 0.13 -1.57 -0.77 132.00 133.78 2d3i h PRO 218 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2d3i h PRO 218 Cb 1.02 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2d3i h PRO 218 CO 0.31 0.51 0.00 -0.25 -0.23 0.00 0.00 178.00 178.34 2d3i n ASP 219 N -4.74 0.65 -0.77 1.44 10.43 -1.26 -2.84 116.55 119.46 2d3i n ASP 219 Ca 0.13 0.64 0.06 0.00 2.57 0.00 0.00 54.79 58.19 2d3i n ASP 219 Cb 0.27 -0.78 0.22 0.00 1.84 0.00 0.00 41.12 42.67 2d3i n ASP 219 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2d3i n GLN 220 N -2.19 2.29 -0.31 -1.24 3.00 -0.34 -4.70 117.38 113.87 2d3i n GLN 220 Ca 0.03 -2.88 0.09 0.00 -0.01 0.00 0.00 57.00 54.23 2d3i n GLN 220 Cb 0.27 -1.76 0.31 0.00 0.00 0.00 0.00 30.24 29.06 2d3i n GLN 220 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2d3i h LYS 221 N 1.21 0.82 0.00 -1.09 1.57 -1.28 -1.25 116.57 116.54 2d3i h LYS 221 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d3i h LYS 221 Cb 1.39 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2d3i h LYS 221 CO 0.21 0.54 0.00 -0.40 -0.57 0.00 0.00 179.45 179.23 2d3i n ASP 222 N -4.59 0.00 -0.80 0.86 5.75 -1.26 -1.34 116.55 115.17 2d3i n ASP 222 Ca 0.18 0.09 0.12 0.00 -0.01 0.00 0.00 54.79 55.17 2d3i n ASP 222 Cb 0.41 -0.21 0.19 0.00 -1.03 0.00 0.00 41.12 40.47 2d3i n ASP 222 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2d3i n GLU 223 N -1.21 2.06 -4.43 0.11 1.02 -0.47 -4.85 120.64 112.86 2d3i n GLU 223 Ca 0.04 -1.61 -0.22 0.00 -0.02 0.00 0.00 57.16 55.35 2d3i n GLU 223 Cb 0.05 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 2d3i n GLU 223 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2d3i s TYR 224 N -2.05 2.01 0.11 -0.32 2.02 -0.45 -0.31 117.35 118.36 2d3i s TYR 224 Ca 0.29 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 2d3i s TYR 224 Cb 0.20 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2d3i s TYR 224 CO 0.34 0.38 0.21 -1.21 -1.57 0.00 0.00 175.55 173.70 2d3i s GLU 225 N -3.67 0.94 -0.00 -0.62 2.02 -0.57 -4.42 118.70 112.38 2d3i s GLU 225 Ca 0.29 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2d3i s GLU 225 Cb 0.02 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2d3i s GLU 225 CO 0.12 -0.31 0.05 -0.51 0.02 0.00 0.00 175.26 174.63 2d3i s LEU 226 N -2.90 3.77 -0.34 1.80 1.43 0.23 -0.84 118.68 121.81 2d3i s LEU 226 Ca 0.10 0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2d3i s LEU 226 Cb 0.05 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2d3i s LEU 226 CO -0.07 0.28 0.48 -0.76 0.23 0.00 0.00 176.35 176.51 2d3i s LEU 227 N -1.66 4.35 0.38 1.79 1.02 0.83 -1.57 118.68 123.82 2d3i s LEU 227 Ca 0.22 -0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 2d3i s LEU 227 Cb -0.12 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 2d3i s LEU 227 CO 0.12 -0.44 0.64 0.00 0.02 0.00 0.00 176.35 176.69 2d3i h LEU 229 N 0.85 0.00 -0.79 0.00 3.38 -1.87 -2.61 115.31 114.27 2d3i h LEU 229 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2d3i h LEU 229 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2d3i h LEU 229 CO 0.63 0.15 0.00 -0.90 0.09 0.00 0.00 178.44 178.41 2d3i n ASP 230 N -3.68 1.16 0.00 -0.43 5.75 -1.26 -4.88 116.55 113.21 2d3i n ASP 230 Ca -0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2d3i n ASP 230 Cb 0.27 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2d3i n ASP 230 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d3i n GLY 231 N 0.90 2.86 3.76 6.12 0.00 -0.98 -5.06 105.19 112.79 2d3i n GLY 231 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2d3i n GLY 231 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d3i s SER 232 N -1.24 3.25 -0.03 1.61 1.04 -1.26 -4.59 113.70 112.48 2d3i s SER 232 Ca 0.00 1.01 0.05 0.00 0.48 0.00 0.00 55.95 57.49 2d3i s SER 232 Cb 0.00 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 2d3i s SER 232 CO 0.00 -2.72 -0.18 -0.13 0.98 0.00 0.00 173.24 171.19 2d3i s ARG 233 N -5.20 1.73 0.06 4.02 0.52 -1.26 -1.65 118.95 117.16 2d3i s ARG 233 Ca 0.64 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 55.19 2d3i s ARG 233 Cb -0.16 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 2d3i s ARG 233 CO 0.54 0.31 -0.03 -0.65 0.02 0.00 0.00 175.30 175.50 2d3i s GLN 234 N -0.16 0.63 0.66 3.54 -0.21 -0.61 -4.93 119.66 118.58 2d3i s GLN 234 Ca 0.01 -1.23 -0.18 0.00 0.02 0.00 0.00 55.36 53.98 2d3i s GLN 234 Cb -0.10 0.17 -0.00 0.00 1.00 0.00 0.00 33.01 34.08 2d3i s GLN 234 CO 0.01 -0.10 1.26 -0.35 -2.12 0.00 0.00 175.29 173.99 2d3i n PRO 235 N 0.09 1.01 0.19 2.91 -0.04 -1.26 0.74 135.00 138.64 2d3i n PRO 235 Ca -0.14 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 63.87 2d3i n PRO 235 Cb 0.61 -2.50 0.73 0.00 -0.04 0.00 0.00 33.50 32.30 2d3i n PRO 235 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2d3i h VAL 236 N 0.39 0.75 0.00 0.52 -1.51 -1.86 -0.02 116.25 114.51 2d3i h VAL 236 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2d3i h VAL 236 Cb 1.34 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2d3i h VAL 236 CO 0.52 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.33 2d3i n ASP 237 N -4.24 0.00 -1.47 4.19 8.00 -1.26 -3.12 116.55 118.65 2d3i n ASP 237 Ca 0.01 0.06 0.04 0.00 0.71 0.00 0.00 54.79 55.61 2d3i n ASP 237 Cb 0.28 -0.32 0.27 0.00 -0.02 0.00 0.00 41.12 41.33 2d3i n ASP 237 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d3i n ASN 238 N -1.32 4.24 -0.07 -2.24 4.13 -0.02 -4.56 115.26 115.40 2d3i n ASN 238 Ca 0.10 -2.65 0.22 0.00 1.68 0.00 0.00 54.58 53.93 2d3i n ASN 238 Cb 0.19 -0.63 0.67 0.00 -1.54 0.00 0.00 39.78 38.48 2d3i n ASN 238 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2d3i h TYR 239 N 2.69 0.07 -0.10 3.10 -0.00 -1.72 -0.22 116.97 120.79 2d3i h TYR 239 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.72 2d3i h TYR 239 Cb 1.54 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 38.24 2d3i h TYR 239 CO 0.76 0.02 -0.05 0.87 -0.00 0.00 0.00 178.16 179.77 2d3i h LYS 240 N 0.06 0.14 -0.28 0.10 1.57 -1.91 -2.51 116.57 113.73 2d3i h LYS 240 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2d3i h LYS 240 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2d3i h LYS 240 CO -0.02 0.20 0.00 0.25 -0.57 0.00 0.00 179.45 179.31 2d3i n THR 241 N -4.40 1.58 -2.83 -0.16 -2.24 -0.17 -4.73 114.28 101.33 2d3i n THR 241 Ca -0.01 -1.41 -0.11 0.00 -2.27 0.00 0.00 64.05 60.25 2d3i n THR 241 Cb 0.18 0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.59 2d3i n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d3i s ASN 243 N -1.53 1.13 0.11 0.00 2.20 -1.18 -4.54 114.94 111.13 2d3i s ASN 243 Ca 0.32 -1.15 0.22 0.00 -0.94 0.00 0.00 52.86 51.32 2d3i s ASN 243 Cb 0.21 0.13 -0.07 0.00 -2.00 0.00 0.00 41.25 39.52 2d3i s ASN 243 CO -0.22 -0.57 0.90 0.79 -2.94 0.00 0.00 177.10 175.06 2d3i n TRP 244 N -0.20 0.55 0.00 1.54 7.02 -0.02 -4.68 117.44 121.65 2d3i n TRP 244 Ca -0.07 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2d3i n TRP 244 Cb 0.63 -0.72 0.00 0.00 -2.42 0.00 0.00 31.31 28.80 2d3i n TRP 244 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2d3i n ALA 245 N -2.12 0.00 -3.08 6.99 0.00 -1.24 -4.99 120.51 116.08 2d3i n ALA 245 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 2d3i n ALA 245 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 2d3i n ALA 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2d3i s ARG 246 N -2.00 3.64 0.16 0.00 3.52 -1.26 -0.97 118.95 122.04 2d3i s ARG 246 Ca 0.00 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2d3i s ARG 246 Cb 0.00 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2d3i s ARG 246 CO 0.00 -0.00 -0.18 0.54 -0.81 0.00 0.00 175.30 174.85 2d3i s VAL 247 N 1.06 1.78 0.46 7.11 0.11 0.37 -4.94 120.40 126.36 2d3i s VAL 247 Ca 0.03 -1.89 -0.25 0.00 -2.93 0.00 0.00 61.98 56.94 2d3i s VAL 247 Cb -0.14 -1.81 -0.08 0.00 -1.53 0.00 0.00 36.38 32.81 2d3i s VAL 247 CO 0.02 -0.32 1.32 0.00 -3.33 0.00 0.00 175.10 172.79 2d3i n ALA 248 N 0.33 1.51 -0.84 1.54 0.00 -1.26 -1.04 120.51 120.74 2d3i n ALA 248 Ca -0.13 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 2d3i n ALA 248 Cb 0.57 -2.31 0.15 0.00 0.00 0.00 0.00 19.45 17.86 2d3i n ALA 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d3i s ALA 249 N -1.22 1.60 0.54 0.00 0.00 -0.33 -4.57 121.76 117.78 2d3i s ALA 249 Ca 0.63 0.47 -0.21 0.00 0.00 0.00 0.00 51.96 52.86 2d3i s ALA 249 Cb -0.47 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 2d3i s ALA 249 CO 0.56 -2.55 1.24 -1.01 0.00 0.00 0.00 175.76 174.01 2d3i s HIS 250 N -2.71 2.48 0.02 0.00 3.76 -1.26 -4.54 115.29 113.03 2d3i s HIS 250 Ca 0.65 1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 57.03 2d3i s HIS 250 Cb -0.21 -3.56 -0.02 0.00 1.11 0.00 0.00 32.58 29.90 2d3i s HIS 250 CO 0.58 -2.25 -0.01 0.00 -0.85 0.00 0.00 174.74 172.20 2d3i s ALA 251 N -1.49 0.07 -0.10 -1.40 0.00 -0.16 -1.34 121.76 117.35 2d3i s ALA 251 Ca 0.72 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 2d3i s ALA 251 Cb -0.33 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2d3i s ALA 251 CO 0.38 -0.16 0.93 0.08 0.00 0.00 0.00 175.76 176.99 2d3i s VAL 252 N -1.38 4.85 0.15 0.00 1.01 0.96 -0.28 120.40 125.71 2d3i s VAL 252 Ca -0.15 1.88 0.08 0.00 0.00 0.00 0.00 61.98 63.79 2d3i s VAL 252 Cb -0.09 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2d3i s VAL 252 CO -0.01 0.06 -0.06 0.68 0.00 0.00 0.00 175.10 175.77 2d3i s VAL 253 N 1.79 3.48 0.33 2.92 -7.23 -0.61 -0.61 120.40 120.47 2d3i s VAL 253 Ca 0.45 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.07 2d3i s VAL 253 Cb -0.18 -2.70 0.03 0.00 0.56 0.00 0.00 36.38 34.09 2d3i s VAL 253 CO 0.18 -0.03 0.67 0.00 -0.31 0.00 0.00 175.10 175.61 2d3i s ALA 254 N -1.53 -0.50 0.62 1.32 0.00 -0.50 -3.16 121.76 118.00 2d3i s ALA 254 Ca 0.25 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 2d3i s ALA 254 Cb -0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2d3i s ALA 254 CO 0.16 -0.94 1.16 1.03 0.00 0.00 0.00 175.76 177.17 2d3i s ARG 255 N -3.08 2.90 -1.47 0.00 0.52 -1.26 -1.01 118.95 115.54 2d3i s ARG 255 Ca 0.18 1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.97 2d3i s ARG 255 Cb -0.04 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.51 2d3i s ARG 255 CO 0.12 -1.22 2.61 -3.47 0.02 0.00 0.00 175.30 173.36 2d3i n ASP 256 N -1.88 7.93 -1.89 0.23 2.03 -1.26 -4.72 116.55 116.98 2d3i n ASP 256 Ca 0.12 -2.86 -0.05 0.00 0.52 0.00 0.00 54.79 52.52 2d3i n ASP 256 Cb 0.51 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.41 2d3i n ASP 256 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2d3i n ASP 257 N 3.00 0.76 0.20 1.67 5.68 -1.26 -5.05 116.55 121.54 2d3i n ASP 257 Ca 0.68 -1.48 0.16 0.00 -0.50 0.00 0.00 54.79 53.66 2d3i n ASP 257 Cb 0.26 0.26 0.81 0.00 -1.14 0.00 0.00 41.12 41.30 2d3i n ASP 257 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2d3i h ASN 258 N 0.37 0.00 0.37 -1.12 7.08 -2.05 -2.82 115.58 117.41 2d3i h ASN 258 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2d3i h ASN 258 Cb 0.26 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 2d3i h ASN 258 CO 0.10 0.00 0.00 1.17 -2.08 0.00 0.00 177.43 176.62 2d3i n LYS 259 N -3.94 0.13 -0.32 4.14 4.81 -1.26 -3.40 118.16 118.32 2d3i n LYS 259 Ca 0.02 0.18 -0.01 0.00 -0.87 0.00 0.00 58.31 57.63 2d3i n LYS 259 Cb 0.31 -1.50 0.12 0.00 0.02 0.00 0.00 35.03 33.98 2d3i n LYS 259 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2d3i h VAL 260 N 0.00 1.12 -0.09 3.15 -1.51 -1.78 -2.05 116.25 115.08 2d3i h VAL 260 Ca 0.00 -0.37 0.03 0.00 -1.23 0.00 0.00 66.70 65.13 2d3i h VAL 260 Cb 0.19 -0.05 -0.03 0.00 -2.13 0.00 0.00 31.29 29.27 2d3i h VAL 260 CO 0.00 0.20 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.13 2d3i h GLU 261 N 1.07 -0.09 -0.06 5.19 4.39 -1.84 -1.17 114.58 122.08 2d3i h GLU 261 Ca 0.36 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.02 2d3i h GLU 261 Cb 0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2d3i h GLU 261 CO -0.13 -0.06 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.03 2d3i h ASP 262 N -0.09 0.09 -0.36 1.42 3.45 -1.73 0.11 116.42 119.32 2d3i h ASP 262 Ca 0.06 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 2d3i h ASP 262 Cb 0.18 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 2d3i h ASP 262 CO -0.15 0.29 0.01 0.40 -1.57 0.00 0.00 179.24 178.22 2d3i h ILE 263 N 0.09 1.26 -0.49 0.35 2.04 -0.80 -1.59 117.51 118.37 2d3i h ILE 263 Ca 0.02 -0.97 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 2d3i h ILE 263 Cb 0.39 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2d3i h ILE 263 CO 0.03 0.32 -0.12 -0.25 0.00 0.00 0.00 178.15 178.13 2d3i h TRP 264 N 0.46 1.06 -0.77 1.37 2.91 -0.56 -2.07 115.95 118.35 2d3i h TRP 264 Ca 0.10 -0.23 -0.00 0.00 1.13 0.00 0.00 58.89 59.89 2d3i h TRP 264 Cb 0.45 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 2d3i h TRP 264 CO 0.04 1.02 0.46 0.77 -1.03 0.00 0.00 178.44 179.70 2d3i h SER 265 N 0.80 0.92 0.20 2.65 0.02 -0.71 0.40 113.55 117.82 2d3i h SER 265 Ca 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2d3i h SER 265 Cb 0.68 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2d3i h SER 265 CO 0.05 0.71 -0.09 0.15 -1.14 0.00 0.00 176.83 176.51 2d3i h PHE 266 N 1.05 -0.24 -0.39 3.45 3.04 -1.13 -1.48 116.94 121.24 2d3i h PHE 266 Ca 0.27 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.22 2d3i h PHE 266 Cb -0.04 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2d3i h PHE 266 CO -0.01 -0.14 0.25 -0.07 -2.02 0.00 0.00 178.31 176.33 2d3i h LEU 267 N -0.28 0.43 -0.53 0.59 -0.00 -0.97 0.26 115.31 114.82 2d3i h LEU 267 Ca -0.03 -0.01 0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2d3i h LEU 267 Cb 0.22 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 2d3i h LEU 267 CO 0.04 0.31 0.21 -1.28 -0.00 0.00 0.00 178.44 177.73 2d3i h SER 268 N 0.52 0.24 0.08 -0.43 0.87 -0.08 0.16 113.55 114.91 2d3i h SER 268 Ca 0.14 0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.55 2d3i h SER 268 Cb -0.05 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2d3i h SER 268 CO -0.04 0.16 -0.81 0.50 -0.53 0.00 0.00 176.83 176.12 2d3i h LYS 269 N 0.40 0.59 -0.72 2.24 3.11 -1.03 -2.33 116.57 118.84 2d3i h LYS 269 Ca 0.25 -0.51 -0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2d3i h LYS 269 Cb 0.25 0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 2d3i h LYS 269 CO -0.24 1.14 0.43 0.00 -2.81 0.00 0.00 179.45 177.97 2d3i h ALA 270 N 0.71 0.92 0.00 5.00 0.00 0.15 -1.46 119.26 124.59 2d3i h ALA 270 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2d3i h ALA 270 Cb 1.42 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2d3i h ALA 270 CO 0.15 0.39 0.00 -0.56 0.00 0.00 0.00 179.25 179.24 2d3i h GLN 271 N 0.99 0.00 -0.10 0.00 3.07 -0.69 0.10 115.11 118.48 2d3i h GLN 271 Ca 0.26 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.79 2d3i h GLN 271 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2d3i h GLN 271 CO -0.05 0.00 -0.78 0.77 0.09 0.00 0.00 178.83 178.87 2d3i h SER 272 N 0.00 0.69 0.17 0.06 0.02 -0.86 0.58 113.55 114.21 2d3i h SER 272 Ca 0.00 -0.46 -0.28 0.00 -0.84 0.00 0.00 61.79 60.20 2d3i h SER 272 Cb 0.89 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.25 2d3i h SER 272 CO 0.00 1.23 -1.34 0.44 -1.14 0.00 0.00 176.83 176.02 2d3i h ASP 273 N 0.39 0.56 0.00 3.07 3.45 -1.16 -3.39 116.42 119.34 2d3i h ASP 273 Ca -0.05 -0.91 -0.00 0.00 0.43 0.00 0.00 57.03 56.50 2d3i h ASP 273 Cb 1.38 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.96 2d3i h ASP 273 CO 0.15 1.62 -0.33 0.49 -1.57 0.00 0.00 179.24 179.59 2d3i n PHE 274 N -3.86 0.00 0.00 4.55 3.01 0.34 -4.81 117.46 116.69 2d3i n PHE 274 Ca -0.20 -1.30 0.00 0.00 1.01 0.00 0.00 57.45 56.95 2d3i n PHE 274 Cb 0.96 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 2d3i n PHE 274 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d3i n GLY 275 N -1.21 -3.71 0.23 1.37 0.00 0.20 -1.78 105.19 100.29 2d3i n GLY 275 Ca 0.18 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 45.04 2d3i n GLY 275 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2d3i h VAL 276 N -1.95 1.06 -0.69 1.61 3.04 -1.81 -2.73 116.25 114.77 2d3i h VAL 276 Ca 0.00 -0.54 -0.21 0.00 -1.01 0.00 0.00 66.70 64.94 2d3i h VAL 276 Cb 0.00 1.30 -0.12 0.00 -2.01 0.00 0.00 31.29 30.45 2d3i h VAL 276 CO 0.00 0.15 0.24 0.47 -1.01 0.00 0.00 177.57 177.43 2d3i n ASP 277 N -4.28 4.61 -4.80 3.17 8.00 -1.26 -4.99 116.55 117.00 2d3i n ASP 277 Ca -0.02 -3.26 -0.35 0.00 0.71 0.00 0.00 54.79 51.87 2d3i n ASP 277 Cb 0.23 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.54 2d3i n ASP 277 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2d3i s THR 278 N -3.01 4.02 -2.56 -3.53 -1.32 -1.03 -4.95 115.64 103.26 2d3i s THR 278 Ca 0.54 1.41 0.25 0.00 -1.21 0.00 0.00 61.69 62.67 2d3i s THR 278 Cb 0.43 -3.66 0.21 0.00 -1.51 0.00 0.00 72.50 67.97 2d3i s THR 278 CO 0.12 -0.13 1.33 0.29 -2.21 0.00 0.00 174.62 174.02 2d3i n LYS 279 N -0.35 1.79 -0.82 7.08 4.76 -1.26 -4.96 118.16 124.40 2d3i n LYS 279 Ca 0.06 -1.40 -0.29 0.00 -2.87 0.00 0.00 58.31 53.81 2d3i n LYS 279 Cb 0.52 -1.47 0.20 0.00 -1.84 0.00 0.00 35.03 32.44 2d3i n LYS 279 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2d3i s SER 280 N -2.17 2.04 0.29 4.39 0.15 -1.26 -4.94 113.70 112.20 2d3i s SER 280 Ca 0.27 1.53 0.17 0.00 0.70 0.00 0.00 55.95 58.62 2d3i s SER 280 Cb 0.20 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 62.39 2d3i s SER 280 CO 0.40 -3.55 1.40 0.44 1.20 0.00 0.00 173.24 173.13 2d3i h ASP 281 N -2.17 0.00 -3.37 5.45 3.45 -2.00 -3.44 116.42 114.34 2d3i h ASP 281 Ca -0.55 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.31 2d3i h ASP 281 Cb 1.31 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.97 2d3i h ASP 281 CO 0.51 0.37 -0.36 0.12 -1.57 0.00 0.00 179.24 178.31 2d3i s PHE 282 N -3.03 3.41 -0.14 4.55 5.36 -1.26 -5.06 117.98 121.80 2d3i s PHE 282 Ca 0.04 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.51 2d3i s PHE 282 Cb 0.07 -2.34 -0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2d3i s PHE 282 CO 0.74 0.17 -0.16 -1.01 -1.46 0.00 0.00 175.22 173.50 2d3i s HIS 283 N 0.71 2.76 0.19 10.12 3.76 -1.26 -4.78 115.29 126.79 2d3i s HIS 283 Ca 0.14 -0.96 -0.08 0.00 -0.15 0.00 0.00 55.06 54.01 2d3i s HIS 283 Cb -0.13 -1.85 0.10 0.00 1.11 0.00 0.00 32.58 31.81 2d3i s HIS 283 CO 0.04 -0.41 1.66 1.25 -0.85 0.00 0.00 174.74 176.42 2d3i h LEU 284 N 7.09 1.02 -7.99 0.89 5.85 -1.62 -3.38 115.31 117.16 2d3i h LEU 284 Ca -0.29 -0.29 -0.71 0.00 0.84 0.00 0.00 57.88 57.43 2d3i h LEU 284 Cb 1.20 -0.27 -0.31 0.00 0.37 0.00 0.00 40.66 41.65 2d3i h LEU 284 CO 0.55 1.07 -0.51 -0.36 -0.34 0.00 0.00 178.44 178.86 2d3i s PHE 285 N -5.01 3.42 0.00 1.25 0.08 -1.26 -4.62 117.98 111.84 2d3i s PHE 285 Ca -0.11 -1.90 0.00 0.00 0.12 0.00 0.00 56.93 55.04 2d3i s PHE 285 Cb 0.14 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 2d3i s PHE 285 CO 0.85 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 2d3i n GLY 286 N 4.78 2.11 3.78 4.36 0.00 -1.26 -4.41 105.19 114.55 2d3i n GLY 286 Ca -0.08 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2d3i n GLY 286 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d3i s PRO 287 N 0.00 2.64 0.52 1.61 0.04 -1.26 -4.61 135.00 133.94 2d3i s PRO 287 Ca 0.00 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 2d3i s PRO 287 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2d3i s PRO 287 CO 0.00 -1.36 1.19 -1.25 0.04 0.00 0.00 177.00 175.63 2d3i s PRO 288 N -4.47 3.42 0.00 0.56 0.04 -1.25 -4.97 135.00 128.32 2d3i s PRO 288 Ca 0.64 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2d3i s PRO 288 Cb -0.18 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2d3i s PRO 288 CO 0.48 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2d3i n GLY 289 N 0.44 2.50 3.74 0.56 0.00 -1.22 -5.06 105.19 106.15 2d3i n GLY 289 Ca 0.10 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2d3i n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3i s LYS 290 N -2.00 4.17 0.00 1.61 1.02 -1.17 -4.72 119.74 118.64 2d3i s LYS 290 Ca 0.00 2.49 0.00 0.00 0.02 0.00 0.00 55.97 58.48 2d3i s LYS 290 Cb 0.00 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2d3i s LYS 290 CO 0.00 -0.60 0.00 0.36 -0.92 0.00 0.00 175.35 174.19 2d3i n LYS 291 N 2.70 -0.47 -1.68 1.68 2.85 -1.26 -5.11 118.16 116.87 2d3i n LYS 291 Ca 0.10 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.88 2d3i n LYS 291 Cb 0.38 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.71 2d3i n LYS 291 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2d3i n ASP 292 N 0.00 3.46 0.26 -5.58 4.64 -1.26 -4.82 116.55 113.25 2d3i n ASP 292 Ca 0.00 0.98 0.17 0.00 -1.38 0.00 0.00 54.79 54.56 2d3i n ASP 292 Cb 0.00 -1.38 0.82 0.00 -1.04 0.00 0.00 41.12 39.52 2d3i n ASP 292 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2d3i h PRO 293 N 9.11 0.00 0.00 -0.67 0.13 -1.91 0.30 132.00 138.97 2d3i h PRO 293 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2d3i h PRO 293 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2d3i h PRO 293 CO 0.95 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.27 2d3i n VAL 294 N -3.20 0.80 0.26 1.56 3.14 -1.26 -2.08 118.33 117.55 2d3i n VAL 294 Ca 0.01 0.19 0.11 0.00 -2.96 0.00 0.00 64.34 61.69 2d3i n VAL 294 Cb 0.43 -1.12 0.20 0.00 -1.06 0.00 0.00 33.84 32.29 2d3i n VAL 294 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2d3i n LEU 295 N -2.27 3.37 -4.92 6.55 4.77 0.11 -4.87 117.00 119.73 2d3i n LEU 295 Ca 0.02 -1.52 -0.29 0.00 -0.03 0.00 0.00 56.01 54.19 2d3i n LEU 295 Cb 0.25 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2d3i n LEU 295 CO 0.21 0.73 0.02 -0.54 -1.33 0.00 0.00 177.39 176.48 2d3i s LYS 296 N -1.41 3.55 -1.45 3.23 1.02 -0.88 -4.48 119.74 119.32 2d3i s LYS 296 Ca 0.36 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.99 2d3i s LYS 296 Cb 0.21 -2.84 0.05 0.00 -0.52 0.00 0.00 37.83 34.73 2d3i s LYS 296 CO 0.30 0.42 1.05 -0.25 -0.92 0.00 0.00 175.35 175.96 2d3i n ASP 297 N -0.38 -5.23 -4.67 2.83 10.43 -1.26 -4.94 116.55 113.34 2d3i n ASP 297 Ca -0.04 -0.69 -0.43 0.00 2.57 0.00 0.00 54.79 56.21 2d3i n ASP 297 Cb 0.53 -4.36 -0.02 0.00 1.84 0.00 0.00 41.12 39.11 2d3i n ASP 297 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2d3i s LEU 298 N -7.26 4.14 0.00 0.64 1.43 -1.26 -4.15 118.68 112.22 2d3i s LEU 298 Ca 0.60 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2d3i s LEU 298 Cb -0.29 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2d3i s LEU 298 CO 0.79 -0.64 0.00 0.18 0.23 0.00 0.00 176.35 176.91 2d3i n LEU 299 N 6.09 0.00 -4.16 1.79 4.32 -1.26 -4.72 117.00 119.07 2d3i n LEU 299 Ca 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.99 2d3i n LEU 299 Cb 0.46 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.16 2d3i n LEU 299 CO 0.53 0.00 -0.39 -0.36 -1.22 0.00 0.00 177.39 175.94 2d3i s PHE 300 N 0.00 0.90 0.45 -1.77 0.08 -1.26 -4.44 117.98 111.94 2d3i s PHE 300 Ca 0.00 -0.83 -0.23 0.00 0.12 0.00 0.00 56.93 55.99 2d3i s PHE 300 Cb 0.00 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.86 2d3i s PHE 300 CO 0.00 -0.11 1.17 0.15 -0.10 0.00 0.00 175.22 176.32 2d3i s LYS 301 N -3.43 3.81 0.53 0.44 1.02 -1.26 -4.24 119.74 116.61 2d3i s LYS 301 Ca 0.08 1.79 0.30 0.00 0.02 0.00 0.00 55.97 58.16 2d3i s LYS 301 Cb 0.02 -2.45 1.44 0.00 -0.52 0.00 0.00 37.83 36.32 2d3i s LYS 301 CO -0.03 -0.52 2.04 -0.44 -0.92 0.00 0.00 175.35 175.48 2d3i h ASP 302 N 2.14 0.00 0.48 2.83 3.32 -1.89 -2.50 116.42 120.81 2d3i h ASP 302 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2d3i h ASP 302 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2d3i h ASP 302 CO 0.61 0.10 -0.13 -1.54 -1.72 0.00 0.00 179.24 176.56 2d3i n SER 303 N -3.41 0.38 -4.76 6.45 3.41 -1.26 -3.91 113.62 110.52 2d3i n SER 303 Ca -0.01 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.84 2d3i n SER 303 Cb 0.27 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 2d3i n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d3i s ALA 304 N -2.62 3.40 -1.00 7.33 0.00 -0.94 -4.55 121.76 123.38 2d3i s ALA 304 Ca 0.25 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.18 2d3i s ALA 304 Cb 0.20 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2d3i s ALA 304 CO 0.51 -0.14 0.68 0.44 0.00 0.00 0.00 175.76 177.24 2d3i n ILE 305 N 1.30 0.00 0.00 0.00 -5.35 0.82 -4.81 119.36 111.32 2d3i n ILE 305 Ca -0.01 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2d3i n ILE 305 Cb 0.45 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 2d3i n ILE 305 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 2d3i n MET 306 N -0.06 0.00 -4.39 6.28 0.00 -1.23 -4.43 117.12 113.29 2d3i n MET 306 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.41 2d3i n MET 306 Cb 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.35 2d3i n MET 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2d3i s LEU 307 N 0.00 3.43 -0.06 -0.89 1.43 -1.26 -0.02 118.68 121.31 2d3i s LEU 307 Ca 0.00 0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2d3i s LEU 307 Cb 0.00 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.34 2d3i s LEU 307 CO 0.00 0.32 -0.19 -0.75 0.23 0.00 0.00 176.35 175.97 2d3i s LYS 308 N -1.24 2.14 0.34 1.70 2.20 0.84 -4.91 119.74 120.80 2d3i s LYS 308 Ca 0.16 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 2d3i s LYS 308 Cb -0.11 -1.76 -0.11 0.00 -1.51 0.00 0.00 37.83 34.34 2d3i s LYS 308 CO 0.06 0.20 1.47 0.50 -0.36 0.00 0.00 175.35 177.23 2d3i s ARG 309 N 0.22 4.17 -0.24 4.03 6.06 -1.26 -0.23 118.95 131.70 2d3i s ARG 309 Ca -0.09 2.48 -0.10 0.00 -2.50 0.00 0.00 55.73 55.52 2d3i s ARG 309 Cb -0.14 -3.01 -0.05 0.00 0.06 0.00 0.00 34.95 31.81 2d3i s ARG 309 CO 0.04 -0.48 0.15 0.08 -2.50 0.00 0.00 175.30 172.59 2d3i s VAL 310 N -0.77 5.26 0.10 7.11 1.01 -0.02 -4.83 120.40 128.25 2d3i s VAL 310 Ca 0.55 0.14 -0.36 0.00 0.00 0.00 0.00 61.98 62.32 2d3i s VAL 310 Cb -0.45 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.31 2d3i s VAL 310 CO 0.56 0.35 1.13 -2.65 0.00 0.00 0.00 175.10 174.50 2d3i n PRO 311 N 4.26 0.74 0.18 2.72 -0.02 -1.26 -4.82 135.00 136.79 2d3i n PRO 311 Ca -0.15 0.26 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 2d3i n PRO 311 Cb 0.52 -1.76 0.78 0.00 -0.02 0.00 0.00 33.50 33.02 2d3i n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2d3i h SER 312 N 3.42 0.00 0.88 2.55 4.64 -1.94 -0.98 113.55 122.13 2d3i h SER 312 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2d3i h SER 312 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2d3i h SER 312 CO 0.70 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 176.55 2d3i n LEU 313 N -3.47 0.03 -4.75 5.97 7.94 -1.26 -4.84 117.00 116.63 2d3i n LEU 313 Ca 0.04 0.50 -0.41 0.00 -1.11 0.00 0.00 56.01 55.03 2d3i n LEU 313 Cb 0.51 -0.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 2d3i n LEU 313 CO 0.23 -0.08 0.89 -0.32 -1.11 0.00 0.00 177.39 177.00 2d3i s MET 314 N -3.01 4.50 0.36 1.96 1.75 -0.37 -5.06 119.30 119.42 2d3i s MET 314 Ca 0.12 1.92 0.04 0.00 -1.25 0.00 0.00 55.69 56.51 2d3i s MET 314 Cb 0.16 -3.21 -0.06 0.00 2.84 0.00 0.00 34.83 34.57 2d3i s MET 314 CO 0.46 -0.06 0.06 0.16 -0.65 0.00 0.00 175.02 175.00 2d3i s ASP 315 N -0.12 2.67 0.39 1.11 1.47 -1.26 -4.71 116.67 116.23 2d3i s ASP 315 Ca 0.51 -1.44 0.10 0.00 1.18 0.00 0.00 52.55 52.90 2d3i s ASP 315 Cb -0.34 0.02 0.88 0.00 -0.34 0.00 0.00 42.92 43.14 2d3i s ASP 315 CO 0.39 -0.66 1.93 0.77 0.68 0.00 0.00 175.17 178.28 2d3i h SER 316 N 1.99 0.55 -0.19 2.11 4.64 -1.89 -0.55 113.55 120.21 2d3i h SER 316 Ca -0.40 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 60.90 2d3i h SER 316 Cb 1.25 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2d3i h SER 316 CO 0.69 0.32 -0.04 -0.61 -0.87 0.00 0.00 176.83 176.32 2d3i h GLN 317 N 0.61 0.36 -0.31 4.77 4.15 -1.95 -2.46 115.11 120.28 2d3i h GLN 317 Ca 0.36 -0.14 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 2d3i h GLN 317 Cb 0.58 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2d3i h GLN 317 CO -0.13 0.61 -0.34 -0.07 -1.93 0.00 0.00 178.83 176.97 2d3i h LEU 318 N 0.09 0.71 -0.82 -2.39 3.38 -1.85 -2.78 115.31 111.65 2d3i h LEU 318 Ca 0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2d3i h LEU 318 Cb 0.47 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2d3i h LEU 318 CO 0.02 0.99 0.49 0.22 0.09 0.00 0.00 178.44 180.25 2d3i h TYR 319 N 0.57 1.08 0.00 1.13 3.20 -1.03 -2.96 116.97 118.96 2d3i h TYR 319 Ca 0.06 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2d3i h TYR 319 Cb 0.85 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2d3i h TYR 319 CO 0.04 0.72 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.76 2d3i h LEU 320 N 1.12 0.00 0.00 2.82 3.38 -1.41 -3.46 115.31 117.76 2d3i h LEU 320 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2d3i h LEU 320 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2d3i h LEU 320 CO -0.05 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2d3i n GLY 321 N 1.21 -0.15 0.20 0.83 0.00 -1.05 -4.36 105.19 101.87 2d3i n GLY 321 Ca 0.02 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 2d3i n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2d3i h PHE 322 N 0.00 0.22 0.24 1.61 3.04 -1.81 -0.14 116.94 120.10 2d3i h PHE 322 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2d3i h PHE 322 Cb 0.00 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2d3i h PHE 322 CO 0.00 0.04 -0.11 0.93 -2.02 0.00 0.00 178.31 177.15 2d3i h GLU 323 N 0.28 -0.31 -0.24 1.11 4.39 -1.95 0.35 114.58 118.22 2d3i h GLU 323 Ca 0.24 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 2d3i h GLU 323 Cb 0.29 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2d3i h GLU 323 CO -0.28 -0.08 0.05 -0.92 -1.16 0.00 0.00 179.01 176.61 2d3i h TYR 324 N -0.49 0.42 -0.74 4.33 3.20 -1.74 -0.80 116.97 121.14 2d3i h TYR 324 Ca -0.03 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.84 2d3i h TYR 324 Cb 0.37 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 2d3i h TYR 324 CO -0.01 0.50 0.43 -0.92 -1.64 0.00 0.00 178.16 176.52 2d3i h TYR 325 N 0.21 0.79 -0.38 -3.82 5.03 -1.03 -1.21 116.97 116.57 2d3i h TYR 325 Ca 0.07 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.32 2d3i h TYR 325 Cb 0.31 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 2d3i h TYR 325 CO 0.02 0.39 -0.12 0.77 -1.32 0.00 0.00 178.16 177.89 2d3i h SER 326 N 0.79 0.66 -0.33 -2.11 0.02 -0.71 -1.94 113.55 109.93 2d3i h SER 326 Ca 0.33 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2d3i h SER 326 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2d3i h SER 326 CO -0.18 0.81 0.10 0.00 -1.14 0.00 0.00 176.83 176.42 2d3i h ALA 327 N 1.26 0.43 -0.24 3.77 0.00 -0.14 -0.52 119.26 123.81 2d3i h ALA 327 Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d3i h ALA 327 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2d3i h ALA 327 CO 0.04 0.06 0.14 0.82 0.00 0.00 0.00 179.25 180.31 2d3i h ILE 328 N 0.37 1.10 -0.81 0.00 2.04 -1.07 -2.83 117.51 116.32 2d3i h ILE 328 Ca 0.10 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2d3i h ILE 328 Cb 0.25 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2d3i h ILE 328 CO -0.00 0.09 0.54 1.56 0.00 0.00 0.00 178.15 180.34 2d3i h GLN 329 N 0.29 1.06 -0.31 2.37 1.08 -1.24 -2.48 115.11 115.87 2d3i h GLN 329 Ca 0.09 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 2d3i h GLN 329 Cb 0.03 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2d3i h GLN 329 CO -0.02 0.70 0.21 0.66 -0.95 0.00 0.00 178.83 179.43 2d3i h SER 330 N 1.09 0.24 -0.02 1.46 4.64 -0.85 0.71 113.55 120.82 2d3i h SER 330 Ca 0.30 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2d3i h SER 330 Cb -0.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2d3i h SER 330 CO -0.07 0.17 0.00 0.23 -0.87 0.00 0.00 176.83 176.29 2d3i n MET 331 N -4.49 1.06 0.00 4.77 2.81 -0.94 -2.69 117.12 117.65 2d3i n MET 331 Ca 0.03 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2d3i n MET 331 Cb 0.18 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2d3i n MET 331 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2d3i n ARG 332 N -0.36 -0.25 -3.15 0.03 1.74 0.20 -4.89 116.66 109.99 2d3i n ARG 332 Ca 0.01 -0.24 -0.15 0.00 -0.77 0.00 0.00 57.85 56.70 2d3i n ARG 332 Cb 0.06 -0.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 2d3i n ARG 332 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2d3i n LYS 333 N -0.03 1.35 -1.07 5.56 5.02 -0.98 -4.91 118.16 123.09 2d3i n LYS 333 Ca 0.00 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 2d3i n LYS 333 Cb 0.12 0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2d3i n LYS 333 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2d3i n ASP 334 N -1.30 1.87 0.00 4.39 -0.08 -1.26 -0.91 116.55 119.26 2d3i n ASP 334 Ca -0.08 -0.55 0.00 0.00 -1.51 0.00 0.00 54.79 52.64 2d3i n ASP 334 Cb 0.31 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.77 2d3i n ASP 334 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d3i n GLN 335 N -0.04 0.00 0.00 -0.67 10.64 -1.26 -4.84 117.38 121.22 2d3i n GLN 335 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2d3i n GLN 335 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2d3i n GLN 335 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2d3i n GLU 342 N 6.31 0.00 -0.57 2.61 4.07 -1.26 -4.57 120.64 127.24 2d3i n GLU 342 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 2d3i n GLU 342 Cb 0.00 0.00 0.36 0.00 -0.06 0.00 0.00 31.44 31.74 2d3i n GLU 342 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2d3i n ASN 343 N 0.00 4.63 -4.28 4.31 5.03 -1.26 -4.89 115.26 118.80 2d3i n ASN 343 Ca 0.00 -2.34 -0.28 0.00 0.87 0.00 0.00 54.58 52.83 2d3i n ASN 343 Cb 0.00 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.04 2d3i n ASN 343 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2d3i s ARG 344 N -1.64 1.76 -0.17 3.52 0.52 -1.26 -4.85 118.95 116.83 2d3i s ARG 344 Ca 0.52 -0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 2d3i s ARG 344 Cb 0.32 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2d3i s ARG 344 CO 0.27 0.48 0.34 0.42 0.02 0.00 0.00 175.30 176.83 2d3i s ILE 345 N -0.65 5.26 -0.60 1.52 1.01 0.12 -4.94 121.20 122.93 2d3i s ILE 345 Ca 0.09 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 2d3i s ILE 345 Cb -0.09 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.81 2d3i s ILE 345 CO 0.00 0.34 0.69 -1.58 0.00 0.00 0.00 174.94 174.39 2d3i s GLN 346 N 0.79 3.06 0.22 2.79 2.00 -1.26 -0.05 119.66 127.22 2d3i s GLN 346 Ca 0.18 -1.40 -0.17 0.00 -2.00 0.00 0.00 55.36 51.97 2d3i s GLN 346 Cb -0.14 -4.29 -0.08 0.00 0.80 0.00 0.00 33.01 29.30 2d3i s GLN 346 CO 0.06 -1.52 0.68 -0.46 -0.50 0.00 0.00 175.29 173.54 2d3i s TRP 347 N 2.51 3.58 -0.24 1.67 -0.11 -0.19 0.51 118.94 126.68 2d3i s TRP 347 Ca 0.11 1.26 -0.08 0.00 1.22 0.00 0.00 56.10 58.61 2d3i s TRP 347 Cb -0.24 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.16 2d3i s TRP 347 CO 0.05 0.32 0.10 0.00 -4.62 0.00 0.00 176.95 172.80 2d3i s ALA 349 N 1.26 2.81 -0.36 0.00 0.00 -0.26 -4.79 121.76 120.42 2d3i s ALA 349 Ca 0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2d3i s ALA 349 Cb -0.14 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 2d3i s ALA 349 CO 0.04 0.29 0.34 0.08 0.00 0.00 0.00 175.76 176.52 2d3i s VAL 350 N 0.15 5.19 0.00 0.00 1.01 -1.26 -2.36 120.40 123.14 2d3i s VAL 350 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2d3i s VAL 350 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2d3i s VAL 350 CO 0.04 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2d3i n GLY 351 N 5.04 -0.25 0.29 4.51 0.00 -0.83 -4.13 105.19 109.82 2d3i n GLY 351 Ca -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 2d3i n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d3i h LYS 352 N 0.00 0.82 -0.01 1.61 1.57 -1.93 -2.14 116.57 116.50 2d3i h LYS 352 Ca 0.00 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2d3i h LYS 352 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 2d3i h LYS 352 CO 0.00 0.85 0.00 -0.44 -0.57 0.00 0.00 179.45 179.29 2d3i h ASP 353 N 0.76 0.01 -0.61 0.86 3.32 -1.97 -0.55 116.42 118.24 2d3i h ASP 353 Ca 0.14 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2d3i h ASP 353 Cb 0.50 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2d3i h ASP 353 CO 0.03 0.20 0.25 -0.33 -1.72 0.00 0.00 179.24 177.66 2d3i h GLU 354 N -0.17 0.95 -0.27 3.56 5.08 -1.70 -1.83 114.58 120.18 2d3i h GLU 354 Ca 0.00 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2d3i h GLU 354 Cb 0.19 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2d3i h GLU 354 CO -0.00 0.78 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.51 2d3i h LYS 355 N 0.93 0.43 -0.13 2.33 1.63 -1.12 0.98 116.57 121.62 2d3i h LYS 355 Ca 0.22 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 2d3i h LYS 355 Cb 0.19 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2d3i h LYS 355 CO -0.02 0.51 -0.16 1.03 -3.45 0.00 0.00 179.45 177.36 2d3i h SER 356 N 0.41 0.36 -0.85 4.20 0.87 -0.44 0.21 113.55 118.32 2d3i h SER 356 Ca 0.09 -0.51 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 2d3i h SER 356 Cb 0.37 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 2d3i h SER 356 CO 0.02 0.80 0.42 0.50 -0.53 0.00 0.00 176.83 178.03 2d3i h LYS 357 N -0.06 1.22 -0.53 2.24 3.64 -1.13 -1.36 116.57 120.59 2d3i h LYS 357 Ca 0.02 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 2d3i h LYS 357 Cb 0.71 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2d3i h LYS 357 CO 0.04 0.93 -0.03 0.00 -2.27 0.00 0.00 179.45 178.12 2d3i h ASP 359 N 0.82 0.93 -0.42 0.00 3.32 -0.16 0.77 116.42 121.68 2d3i h ASP 359 Ca 0.15 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2d3i h ASP 359 Cb 0.56 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2d3i h ASP 359 CO 0.03 0.70 -0.11 -0.09 -1.72 0.00 0.00 179.24 178.05 2d3i h ARG 360 N 1.08 0.87 -0.70 3.56 9.65 -0.90 -2.12 114.38 125.82 2d3i h ARG 360 Ca 0.28 -0.30 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 2d3i h ARG 360 Cb -0.07 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 2d3i h ARG 360 CO -0.06 0.94 0.17 2.35 2.80 0.00 0.00 179.97 186.17 2d3i h TRP 361 N 0.79 1.17 -0.65 2.20 7.01 -0.11 -2.21 115.95 124.15 2d3i h TRP 361 Ca 0.13 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 61.00 2d3i h TRP 361 Cb 0.62 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 2d3i h TRP 361 CO 0.04 0.95 0.43 1.03 -2.79 0.00 0.00 178.44 178.09 2d3i h SER 362 N 1.06 0.75 -0.08 2.65 0.87 -0.49 -0.47 113.55 117.84 2d3i h SER 362 Ca 0.22 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2d3i h SER 362 Cb 0.37 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2d3i h SER 362 CO 0.00 0.55 0.03 0.58 -0.53 0.00 0.00 176.83 177.46 2d3i h VAL 363 N 0.88 1.15 0.00 2.23 2.07 -1.01 0.16 116.25 121.72 2d3i h VAL 363 Ca 0.24 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2d3i h VAL 363 Cb -0.09 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2d3i h VAL 363 CO -0.05 0.13 0.00 -0.37 0.02 0.00 0.00 177.57 177.29 2d3i h VAL 364 N -0.04 0.00 -0.04 2.57 -1.51 -1.29 -2.11 116.25 113.84 2d3i h VAL 364 Ca 0.03 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2d3i h VAL 364 Cb 0.17 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 2d3i h VAL 364 CO -0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 174.80 2d3i n SER 365 N -2.62 1.72 -1.76 4.19 3.41 -0.19 -4.90 113.62 113.46 2d3i n SER 365 Ca 0.03 -1.59 -0.20 0.00 -0.26 0.00 0.00 58.87 56.86 2d3i n SER 365 Cb 0.38 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 2d3i n SER 365 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2d3i n ASN 366 N 0.35 -5.51 0.00 4.04 3.02 -0.79 -2.14 115.26 114.22 2d3i n ASN 366 Ca 0.18 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 2d3i n ASN 366 Cb 0.39 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 2d3i n ASN 366 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d3i n GLY 367 N -0.66 0.41 0.28 7.41 0.00 0.50 -4.94 105.19 108.19 2d3i n GLY 367 Ca -0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.00 2d3i n GLY 367 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d3i h ASP 368 N 0.00 0.00 -3.61 1.61 3.32 -1.66 -3.38 116.42 112.70 2d3i h ASP 368 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2d3i h ASP 368 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 2d3i h ASP 368 CO 0.00 0.00 -0.85 -0.69 -1.72 0.00 0.00 179.24 175.98 2d3i s VAL 369 N -3.91 1.57 0.36 -1.35 1.01 -1.26 0.13 120.40 116.95 2d3i s VAL 369 Ca -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.27 2d3i s VAL 369 Cb 0.11 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2d3i s VAL 369 CO 0.37 0.45 -0.01 -1.61 0.00 0.00 0.00 175.10 174.30 2d3i s GLU 370 N 0.29 1.98 0.01 2.72 0.41 0.93 -4.22 118.70 120.83 2d3i s GLU 370 Ca -0.11 -1.87 0.03 0.00 -0.41 0.00 0.00 54.97 52.61 2d3i s GLU 370 Cb -0.15 -1.82 -0.01 0.00 -1.78 0.00 0.00 34.13 30.37 2d3i s GLU 370 CO 0.05 0.09 -0.11 0.00 -0.49 0.00 0.00 175.26 174.80 2d3i s THR 372 N -0.47 1.14 0.05 0.00 2.01 -0.67 -4.95 115.64 112.77 2d3i s THR 372 Ca 0.02 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2d3i s THR 372 Cb -0.05 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 2d3i s THR 372 CO 0.00 0.34 0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 2d3i s VAL 373 N 0.05 4.76 0.17 3.82 1.01 -1.26 -1.10 120.40 127.84 2d3i s VAL 373 Ca -0.02 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2d3i s VAL 373 Cb -0.10 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2d3i s VAL 373 CO 0.01 0.19 0.25 0.68 0.00 0.00 0.00 175.10 176.23 2d3i s VAL 374 N -1.36 0.06 -0.02 2.92 -7.23 -0.99 -4.96 120.40 108.81 2d3i s VAL 374 Ca 0.29 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2d3i s VAL 374 Cb -0.12 -1.94 -0.25 0.00 0.56 0.00 0.00 36.38 34.63 2d3i s VAL 374 CO 0.21 -0.29 0.74 0.44 -0.31 0.00 0.00 175.10 175.90 2d3i h ASP 375 N 2.58 0.24 -4.22 4.85 3.32 -1.96 -2.20 116.42 119.03 2d3i h ASP 375 Ca -0.32 -0.40 -0.41 0.00 0.02 0.00 0.00 57.03 55.91 2d3i h ASP 375 Cb 1.23 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.50 2d3i h ASP 375 CO 0.49 1.35 -0.77 -1.61 -1.72 0.00 0.00 179.24 176.99 2d3i s GLU 376 N -2.61 0.95 0.26 3.56 2.02 -1.26 -4.50 118.70 117.12 2d3i s GLU 376 Ca -0.09 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 2d3i s GLU 376 Cb 0.07 -0.87 0.50 0.00 0.10 0.00 0.00 34.13 33.94 2d3i s GLU 376 CO 0.83 0.17 1.79 1.15 0.02 0.00 0.00 175.26 179.22 2d3i h THR 377 N 3.79 0.81 -0.22 3.63 2.02 -1.93 0.44 112.91 121.46 2d3i h THR 377 Ca -0.40 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 66.59 2d3i h THR 377 Cb 1.19 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2d3i h THR 377 CO 0.47 0.13 0.21 0.07 0.37 0.00 0.00 175.52 176.77 2d3i h LYS 378 N 0.73 0.00 -0.02 6.66 2.10 -1.96 0.16 116.57 124.24 2d3i h LYS 378 Ca 0.45 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 59.00 2d3i h LYS 378 Cb 0.55 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2d3i h LYS 378 CO -0.31 0.00 -0.49 -0.44 -2.00 0.00 0.00 179.45 176.21 2d3i h ASP 379 N 0.00 0.04 -0.40 7.07 3.32 -1.32 -2.33 116.42 122.80 2d3i h ASP 379 Ca 0.10 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2d3i h ASP 379 Cb 0.51 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2d3i h ASP 379 CO -0.00 0.52 -0.05 0.00 -1.72 0.00 0.00 179.24 177.99 2d3i h ILE 381 N 0.56 1.08 -0.31 0.00 2.04 -1.31 0.74 117.51 120.31 2d3i h ILE 381 Ca 0.11 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2d3i h ILE 381 Cb 0.56 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2d3i h ILE 381 CO 0.03 0.12 0.06 0.40 0.00 0.00 0.00 178.15 178.76 2d3i h ILE 382 N 0.68 1.23 -0.72 -0.67 2.04 -1.24 -0.86 117.51 117.98 2d3i h ILE 382 Ca 0.22 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2d3i h ILE 382 Cb -0.01 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2d3i h ILE 382 CO -0.08 0.26 0.41 0.11 0.00 0.00 0.00 178.15 178.85 2d3i h LYS 383 N 0.34 0.99 -0.15 2.37 1.57 -0.12 -1.84 116.57 119.72 2d3i h LYS 383 Ca 0.09 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2d3i h LYS 383 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2d3i h LYS 383 CO 0.00 0.71 -0.63 0.82 -0.57 0.00 0.00 179.45 179.78 2d3i h ILE 384 N 1.00 1.33 -0.86 1.86 2.04 -0.70 0.40 117.51 122.58 2d3i h ILE 384 Ca 0.26 -1.92 0.02 0.00 1.00 0.00 0.00 64.86 64.22 2d3i h ILE 384 Cb -0.00 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 2d3i h ILE 384 CO -0.04 0.59 0.57 0.24 0.00 0.00 0.00 178.15 179.51 2d3i h MET 385 N 0.41 1.09 0.00 2.37 2.86 -0.64 -2.12 114.93 118.90 2d3i h MET 385 Ca -0.01 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2d3i h MET 385 Cb 1.20 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2d3i h MET 385 CO 0.12 0.72 -0.39 0.87 1.06 0.00 0.00 176.91 179.29 2d3i h LYS 386 N 1.12 0.00 0.00 1.72 1.57 -1.17 -3.41 116.57 116.41 2d3i h LYS 386 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2d3i h LYS 386 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2d3i h LYS 386 CO -0.09 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 2d3i n GLY 387 N 1.18 0.86 0.18 3.86 0.00 -0.39 -4.95 105.19 105.93 2d3i n GLY 387 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2d3i n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2d3i h GLU 388 N 3.86 0.00 -4.94 1.61 5.08 -1.24 -3.44 114.58 115.51 2d3i h GLU 388 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2d3i h GLU 388 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 2d3i h GLU 388 CO 0.00 0.39 -0.71 0.00 -1.00 0.00 0.00 179.01 177.68 2d3i s ALA 389 N -3.38 1.25 -0.22 3.43 0.00 -1.08 -4.98 121.76 116.78 2d3i s ALA 389 Ca 0.02 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.64 2d3i s ALA 389 Cb 0.10 0.07 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 2d3i s ALA 389 CO 0.70 -0.11 -0.15 -0.25 0.00 0.00 0.00 175.76 175.94 2d3i n ASP 390 N 0.04 1.94 -3.81 0.00 10.43 0.18 -4.12 116.55 121.22 2d3i n ASP 390 Ca -0.12 -0.10 -0.09 0.00 2.57 0.00 0.00 54.79 57.04 2d3i n ASP 390 Cb 0.60 -0.12 -0.05 0.00 1.84 0.00 0.00 41.12 43.39 2d3i n ASP 390 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2d3i s ALA 391 N -2.45 -0.66 -0.17 2.24 0.00 -1.07 -4.44 121.76 115.21 2d3i s ALA 391 Ca -0.27 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 2d3i s ALA 391 Cb 0.07 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.17 2d3i s ALA 391 CO 0.56 -0.77 0.91 0.54 0.00 0.00 0.00 175.76 177.00 2d3i s VAL 392 N -3.91 0.00 -0.04 0.00 0.11 -1.22 -1.51 120.40 113.83 2d3i s VAL 392 Ca 0.12 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.00 2d3i s VAL 392 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2d3i s VAL 392 CO -0.01 0.00 0.48 0.00 -3.33 0.00 0.00 175.10 172.24 2d3i s ALA 393 N -0.67 3.56 0.03 1.54 0.00 -1.26 -1.57 121.76 123.40 2d3i s ALA 393 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2d3i s ALA 393 Cb -0.02 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 2d3i s ALA 393 CO 0.02 0.23 -0.12 -0.51 0.00 0.00 0.00 175.76 175.38 2d3i s LEU 394 N -0.24 2.16 0.59 0.00 1.02 0.63 -4.94 118.68 117.90 2d3i s LEU 394 Ca 0.26 -0.42 -0.19 0.00 0.02 0.00 0.00 54.13 53.81 2d3i s LEU 394 Cb -0.16 -0.47 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 2d3i s LEU 394 CO 0.13 -0.01 1.19 -0.62 0.02 0.00 0.00 176.35 177.06 2d3i s ASP 395 N -1.06 5.25 0.33 2.29 2.15 -1.26 -1.60 116.67 122.78 2d3i s ASP 395 Ca -0.01 2.32 0.12 0.00 0.43 0.00 0.00 52.55 55.42 2d3i s ASP 395 Cb -0.07 -2.59 1.01 0.00 -0.30 0.00 0.00 42.92 40.96 2d3i s ASP 395 CO 0.01 -1.55 1.66 1.23 -0.17 0.00 0.00 175.17 176.35 2d3i h GLY 396 N 0.86 1.92 0.71 2.66 0.00 -1.82 0.43 103.07 107.82 2d3i h GLY 396 Ca -0.50 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 46.70 2d3i h GLY 396 CO 0.55 -0.47 0.52 -1.33 0.00 0.00 0.00 176.54 175.81 2d3i h GLY 397 N 0.30 1.28 1.96 4.60 0.00 -1.90 -1.28 103.07 108.03 2d3i h GLY 397 Ca 0.70 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 2d3i h GLY 397 CO -0.62 0.25 -0.32 1.41 0.00 0.00 0.00 176.54 177.26 2d3i h LEU 398 N 0.95 0.00 -1.22 3.11 -0.00 -0.36 -3.07 115.31 114.72 2d3i h LEU 398 Ca 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.20 2d3i h LEU 398 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2d3i h LEU 398 CO -0.18 0.29 -0.07 0.58 -0.00 0.00 0.00 178.44 179.07 2d3i h VAL 399 N 0.00 1.20 0.40 1.22 2.07 0.11 0.15 116.25 121.40 2d3i h VAL 399 Ca -0.01 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2d3i h VAL 399 Cb 1.23 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2d3i h VAL 399 CO 0.04 0.28 -0.19 0.22 0.02 0.00 0.00 177.57 177.94 2d3i h TYR 400 N 0.43 -0.50 -0.65 1.57 3.20 -1.24 0.21 116.97 119.99 2d3i h TYR 400 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2d3i h TYR 400 Cb 0.39 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2d3i h TYR 400 CO 0.01 -0.24 0.42 1.15 -1.64 0.00 0.00 178.16 177.86 2d3i h THR 401 N -0.67 1.18 -0.83 1.81 2.02 -1.49 -0.24 112.91 114.69 2d3i h THR 401 Ca -0.06 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 66.80 2d3i h THR 401 Cb 0.48 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2d3i h THR 401 CO 0.09 0.17 0.55 0.00 0.37 0.00 0.00 175.52 176.70 2d3i h ALA 402 N 1.23 1.45 -0.10 6.16 0.00 -0.58 -0.97 119.26 126.44 2d3i h ALA 402 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2d3i h ALA 402 Cb -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2d3i h ALA 402 CO -0.05 0.48 0.03 0.78 0.00 0.00 0.00 179.25 180.50 2d3i h GLY 403 N 1.07 0.17 1.23 0.00 0.00 0.77 -0.07 103.07 106.24 2d3i h GLY 403 Ca 0.32 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.63 2d3i h GLY 403 CO -0.08 0.10 0.32 -2.08 0.00 0.00 0.00 176.54 174.80 2d3i h VAL 404 N -0.02 0.90 0.00 4.60 2.07 -0.53 0.29 116.25 123.56 2d3i h VAL 404 Ca 0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2d3i h VAL 404 Cb 0.22 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2d3i h VAL 404 CO -0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 2d3i n GLY 406 N 0.87 0.70 3.90 0.00 0.00 0.10 -4.99 105.19 105.76 2d3i n GLY 406 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2d3i n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d3i s LEU 407 N 0.00 4.18 0.11 0.99 1.43 -0.10 -4.48 118.68 120.81 2d3i s LEU 407 Ca 0.00 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2d3i s LEU 407 Cb 0.00 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2d3i s LEU 407 CO 0.00 -0.06 -0.21 0.68 0.23 0.00 0.00 176.35 176.99 2d3i s VAL 408 N -1.85 1.74 -0.10 -1.59 -7.23 0.05 -3.68 120.40 107.74 2d3i s VAL 408 Ca 0.43 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2d3i s VAL 408 Cb -0.11 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 2d3i s VAL 408 CO 0.26 -0.07 0.98 -2.16 -0.31 0.00 0.00 175.10 173.81 2d3i s PRO 409 N -1.96 4.43 -0.04 4.82 0.04 -1.26 -1.48 135.00 139.55 2d3i s PRO 409 Ca 0.07 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.52 2d3i s PRO 409 Cb -0.10 -3.53 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 2d3i s PRO 409 CO 0.04 -0.28 0.08 1.33 0.04 0.00 0.00 177.00 178.22 2d3i n VAL 410 N 4.48 0.21 -3.87 -0.36 0.24 -0.26 -4.79 118.33 113.98 2d3i n VAL 410 Ca 0.08 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2d3i n VAL 410 Cb 0.49 -0.25 -0.14 0.00 -1.47 0.00 0.00 33.84 32.47 2d3i n VAL 410 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2d3i s MET 411 N -2.30 0.03 0.07 7.34 -1.94 -1.24 -0.76 119.30 120.51 2d3i s MET 411 Ca -0.03 0.00 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 2d3i s MET 411 Cb 0.03 0.02 -0.03 0.00 2.01 0.00 0.00 34.83 36.86 2d3i s MET 411 CO 0.26 -0.00 -0.12 0.00 -0.01 0.00 0.00 175.02 175.15 2d3i s ALA 412 N -0.04 1.09 0.35 3.03 0.00 -0.35 0.29 121.76 126.13 2d3i s ALA 412 Ca -0.01 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 2d3i s ALA 412 Cb -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 2d3i s ALA 412 CO -0.00 0.10 1.08 -1.21 0.00 0.00 0.00 175.76 175.72 2d3i s GLU 413 N -1.96 4.35 -0.03 0.00 2.02 0.12 -0.80 118.70 122.40 2d3i s GLU 413 Ca -0.01 1.65 0.06 0.00 0.02 0.00 0.00 54.97 56.69 2d3i s GLU 413 Cb -0.08 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 2d3i s GLU 413 CO 0.02 -0.01 -0.22 0.50 0.02 0.00 0.00 175.26 175.57 2d3i s ARG 414 N -2.05 1.98 -0.01 1.61 6.06 -0.40 -4.65 118.95 121.50 2d3i s ARG 414 Ca 0.52 -0.77 0.08 0.00 -2.50 0.00 0.00 55.73 53.06 2d3i s ARG 414 Cb -0.27 -1.79 -0.11 0.00 0.06 0.00 0.00 34.95 32.83 2d3i s ARG 414 CO 0.34 0.39 0.23 0.66 -2.50 0.00 0.00 175.30 174.42 2d3i n TYR 415 N 2.79 0.00 0.00 5.12 4.01 -1.26 -0.75 117.16 127.07 2d3i n TYR 415 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2d3i n TYR 415 Cb 0.52 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2d3i n TYR 415 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2d3i n ASP 416 N -1.59 0.00 -4.27 7.72 5.68 -1.26 -4.66 116.55 118.17 2d3i n ASP 416 Ca -0.01 0.21 -0.28 0.00 -0.50 0.00 0.00 54.79 54.21 2d3i n ASP 416 Cb 0.18 -0.02 -0.15 0.00 -1.14 0.00 0.00 41.12 40.00 2d3i n ASP 416 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2d3i s ASP 417 N -1.42 2.67 0.52 -1.12 3.68 -1.26 -4.97 116.67 114.76 2d3i s ASP 417 Ca 0.00 -0.47 0.28 0.00 2.13 0.00 0.00 52.55 54.49 2d3i s ASP 417 Cb 0.00 -0.26 1.40 0.00 -1.45 0.00 0.00 42.92 42.60 2d3i s ASP 417 CO 0.00 0.24 2.03 1.05 0.13 0.00 0.00 175.17 178.62 2d3i h GLU 418 N 5.22 0.00 -0.25 4.34 -0.00 -1.93 -2.03 114.58 119.93 2d3i h GLU 418 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 2d3i h GLU 418 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.89 2d3i h GLU 418 CO 0.46 0.12 0.00 -1.13 -0.00 0.00 0.00 179.01 178.46 2d3i n SER 419 N -3.50 1.54 -0.03 3.06 3.41 -1.26 -3.77 113.62 113.07 2d3i n SER 419 Ca -0.01 -1.89 0.12 0.00 -0.26 0.00 0.00 58.87 56.82 2d3i n SER 419 Cb 0.27 -0.17 0.16 0.00 -0.26 0.00 0.00 64.21 64.22 2d3i n SER 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d3i n GLN 420 N 0.30 0.08 -2.53 4.33 1.13 -0.76 -5.22 117.38 114.71 2d3i n GLN 420 Ca 0.12 -0.06 -0.41 0.00 -1.94 0.00 0.00 57.00 54.72 2d3i n GLN 420 Cb 0.26 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.09 2d3i n GLN 420 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d3i n PRO 428 N 8.77 3.23 -4.05 0.00 -0.04 -1.26 -4.67 135.00 136.98 2d3i n PRO 428 Ca 0.37 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.69 2d3i n PRO 428 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 2d3i n PRO 428 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d3i s ALA 429 N -3.79 0.29 0.09 0.55 0.00 -1.26 -5.09 121.76 112.54 2d3i s ALA 429 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 2d3i s ALA 429 Cb 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.12 2d3i s ALA 429 CO 0.00 0.06 0.82 -1.13 0.00 0.00 0.00 175.76 175.51 2d3i n SER 430 N 2.91 -1.15 -3.78 0.00 3.41 -1.26 -4.25 113.62 109.49 2d3i n SER 430 Ca -0.13 -1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 56.84 2d3i n SER 430 Cb 0.59 1.85 -0.07 0.00 -0.26 0.00 0.00 64.21 66.32 2d3i n SER 430 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2d3i s TYR 431 N -2.85 0.95 -0.06 7.33 1.13 -0.72 -4.73 117.35 118.40 2d3i s TYR 431 Ca 0.19 -1.19 0.04 0.00 -1.41 0.00 0.00 57.07 54.70 2d3i s TYR 431 Cb -0.02 -0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.61 2d3i s TYR 431 CO 0.03 -0.91 -0.16 -0.06 -2.51 0.00 0.00 175.55 171.93 2d3i s PHE 432 N -3.73 2.65 -0.14 -3.49 0.40 -1.26 -0.29 117.98 112.12 2d3i s PHE 432 Ca 0.32 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 56.17 2d3i s PHE 432 Cb 0.02 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2d3i s PHE 432 CO 0.15 0.07 0.43 0.00 0.70 0.00 0.00 175.22 176.57 2d3i s ALA 433 N -0.51 3.51 0.24 5.36 0.00 0.24 -0.94 121.76 129.65 2d3i s ALA 433 Ca 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2d3i s ALA 433 Cb -0.12 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 2d3i s ALA 433 CO 0.01 -0.04 0.01 0.14 0.00 0.00 0.00 175.76 175.88 2d3i s VAL 434 N 0.74 0.95 -0.23 0.00 -7.23 -0.28 -0.42 120.40 113.92 2d3i s VAL 434 Ca 0.23 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2d3i s VAL 434 Cb -0.15 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2d3i s VAL 434 CO 0.08 -0.27 -0.05 0.00 -0.31 0.00 0.00 175.10 174.55 2d3i s ALA 435 N -3.48 2.74 -0.10 1.32 0.00 -1.26 -2.34 121.76 118.65 2d3i s ALA 435 Ca 0.30 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2d3i s ALA 435 Cb 0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2d3i s ALA 435 CO 0.09 -0.62 -0.03 0.08 0.00 0.00 0.00 175.76 175.28 2d3i s VAL 436 N 1.40 3.99 0.17 0.00 1.01 0.48 -0.90 120.40 126.55 2d3i s VAL 436 Ca 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2d3i s VAL 436 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2d3i s VAL 436 CO -0.04 0.58 0.10 0.00 0.00 0.00 0.00 175.10 175.73 2d3i s ALA 437 N -0.55 1.05 0.22 5.51 0.00 -0.80 0.17 121.76 127.36 2d3i s ALA 437 Ca 0.09 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 2d3i s ALA 437 Cb -0.12 1.16 -0.09 0.00 0.00 0.00 0.00 23.12 24.07 2d3i s ALA 437 CO 0.02 -0.54 1.38 1.03 0.00 0.00 0.00 175.76 177.64 2d3i s ARG 438 N -4.11 4.33 0.22 0.00 0.52 -1.26 -2.04 118.95 116.60 2d3i s ARG 438 Ca 0.33 2.18 -0.11 0.00 -0.52 0.00 0.00 55.73 57.61 2d3i s ARG 438 Cb 0.07 -3.15 0.31 0.00 0.52 0.00 0.00 34.95 32.70 2d3i s ARG 438 CO 0.08 -0.34 1.65 -0.22 0.02 0.00 0.00 175.30 176.49 2d3i h LYS 439 N 5.23 0.09 -4.53 3.54 1.63 -1.64 -3.30 116.57 117.59 2d3i h LYS 439 Ca -0.45 -0.01 -0.74 0.00 -0.85 0.00 0.00 60.65 58.60 2d3i h LYS 439 Cb 1.22 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.66 2d3i h LYS 439 CO 0.78 0.06 1.55 -3.47 -3.45 0.00 0.00 179.45 174.91 2d3i n ASP 440 N -5.32 5.18 -3.69 4.20 4.64 -1.26 -4.93 116.55 115.36 2d3i n ASP 440 Ca 0.09 -3.00 -0.03 0.00 -1.38 0.00 0.00 54.79 50.47 2d3i n ASP 440 Cb 0.37 -1.56 -0.01 0.00 -1.04 0.00 0.00 41.12 38.88 2d3i n ASP 440 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2d3i s SER 441 N 2.47 -0.18 0.00 1.67 0.15 -1.24 -5.03 113.70 111.53 2d3i s SER 441 Ca 0.43 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.03 2d3i s SER 441 Cb 0.00 0.41 0.31 0.00 -1.71 0.00 0.00 66.02 65.03 2d3i s SER 441 CO 0.01 -0.74 1.28 0.59 1.20 0.00 0.00 173.24 175.57 2d3i n ASN 442 N -0.43 0.88 -4.66 5.45 4.13 -1.26 -4.95 115.26 114.41 2d3i n ASN 442 Ca -0.07 -0.70 -0.55 0.00 1.68 0.00 0.00 54.58 54.95 2d3i n ASN 442 Cb 0.61 0.45 -0.07 0.00 -1.54 0.00 0.00 39.78 39.23 2d3i n ASN 442 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2d3i n VAL 443 N -1.19 0.19 -4.11 2.41 0.31 -1.26 -4.95 118.33 109.72 2d3i n VAL 443 Ca 0.07 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2d3i n VAL 443 Cb 0.35 -1.08 -0.09 0.00 -0.91 0.00 0.00 33.84 32.11 2d3i n VAL 443 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2d3i s ASN 444 N 2.33 0.14 0.00 4.52 2.20 -1.26 -5.01 114.94 117.86 2d3i s ASN 444 Ca 0.93 -1.18 0.00 0.00 -0.94 0.00 0.00 52.86 51.67 2d3i s ASN 444 Cb -1.01 0.40 0.00 0.00 -2.00 0.00 0.00 41.25 38.63 2d3i s ASN 444 CO 0.58 -0.86 0.96 1.87 -2.94 0.00 0.00 177.10 176.70 2d3i n TRP 445 N -0.23 0.00 0.35 1.54 -0.00 -1.26 -2.26 117.44 115.58 2d3i n TRP 445 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.55 2d3i n TRP 445 Cb 0.64 -0.46 -0.10 0.00 -0.00 0.00 0.00 31.31 31.39 2d3i n TRP 445 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2d3i n ASN 446 N -1.46 1.09 -0.79 5.87 3.02 -1.26 -4.42 115.26 117.31 2d3i n ASN 446 Ca 0.00 -0.43 0.04 0.00 -0.03 0.00 0.00 54.58 54.16 2d3i n ASN 446 Cb 0.01 1.35 0.21 0.00 -0.61 0.00 0.00 39.78 40.74 2d3i n ASN 446 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2d3i n ASN 447 N -1.69 2.83 0.21 6.41 6.94 -0.96 -4.68 115.26 124.32 2d3i n ASN 447 Ca 0.00 -3.40 0.07 0.00 -0.02 0.00 0.00 54.58 51.24 2d3i n ASN 447 Cb 0.32 -0.55 0.42 0.00 -2.36 0.00 0.00 39.78 37.60 2d3i n ASN 447 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2d3i h LEU 448 N 1.06 0.00 -9.85 -4.53 4.07 -1.76 -3.44 115.31 100.86 2d3i h LEU 448 Ca 0.08 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.51 2d3i h LEU 448 Cb 1.38 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.21 2d3i h LEU 448 CO 0.21 0.31 0.81 -0.75 -1.08 0.00 0.00 178.44 177.94 2d3i s LYS 449 N -3.75 4.15 0.00 1.13 2.20 -1.26 -1.73 119.74 120.48 2d3i s LYS 449 Ca -0.00 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 2d3i s LYS 449 Cb 0.11 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2d3i s LYS 449 CO 0.66 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 2d3i n GLY 450 N 1.44 0.81 4.01 5.54 0.00 0.19 -4.92 105.19 112.26 2d3i n GLY 450 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2d3i n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3i s LYS 451 N -0.10 2.66 -0.16 1.61 -0.14 -0.71 -3.59 119.74 119.32 2d3i s LYS 451 Ca 0.00 -1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 53.19 2d3i s LYS 451 Cb 0.00 -2.69 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 2d3i s LYS 451 CO 0.00 -0.47 0.54 0.15 -0.76 0.00 0.00 175.35 174.81 2d3i s LYS 452 N -4.49 4.26 0.23 1.68 1.02 -1.26 -1.25 119.74 119.94 2d3i s LYS 452 Ca 0.57 0.50 0.09 0.00 0.02 0.00 0.00 55.97 57.15 2d3i s LYS 452 Cb -0.09 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2d3i s LYS 452 CO 0.35 -0.05 -0.03 -1.54 -0.92 0.00 0.00 175.35 173.16 2d3i s SER 453 N 0.97 4.50 -0.10 2.83 1.04 -0.93 -0.87 113.70 121.15 2d3i s SER 453 Ca 0.27 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 56.09 2d3i s SER 453 Cb -0.16 -0.84 0.03 0.00 0.10 0.00 0.00 66.02 65.16 2d3i s SER 453 CO 0.11 0.04 -0.02 0.00 0.98 0.00 0.00 173.24 174.35 2d3i s HIS 455 N 1.88 2.41 0.23 0.00 3.76 0.11 -1.19 115.29 122.49 2d3i s HIS 455 Ca 0.04 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 2d3i s HIS 455 Cb -0.13 -1.47 0.34 0.00 1.11 0.00 0.00 32.58 32.43 2d3i s HIS 455 CO -0.06 0.10 1.79 1.79 -0.85 0.00 0.00 174.74 177.50 2d3i h THR 456 N 4.28 0.87 0.00 1.30 1.35 -1.73 -3.38 112.91 115.59 2d3i h THR 456 Ca -0.46 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2d3i h THR 456 Cb 1.14 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2d3i h THR 456 CO 0.46 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 2d3i n ALA 457 N -2.40 0.00 -1.78 6.62 0.00 -1.26 -1.49 120.51 120.20 2d3i n ALA 457 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 2d3i n ALA 457 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 2d3i n ALA 457 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2d3i s VAL 458 N -1.76 2.34 0.00 0.00 -7.23 -0.23 -2.41 120.40 111.11 2d3i s VAL 458 Ca 0.00 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2d3i s VAL 458 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2d3i s VAL 458 CO 0.00 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 2d3i n GLY 459 N 0.79 2.14 3.83 2.32 0.00 -1.26 -4.96 105.19 108.04 2d3i n GLY 459 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2d3i n GLY 459 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d3i s ARG 460 N -0.58 4.16 0.02 1.61 0.52 -1.01 -3.87 118.95 119.79 2d3i s ARG 460 Ca 0.00 0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 55.93 2d3i s ARG 460 Cb 0.00 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2d3i s ARG 460 CO 0.00 0.37 1.07 1.15 0.02 0.00 0.00 175.30 177.92 2d3i h THR 461 N 2.62 0.00 -0.20 0.02 2.02 -1.90 0.86 112.91 116.33 2d3i h THR 461 Ca -0.48 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 2d3i h THR 461 Cb 1.19 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2d3i h THR 461 CO 0.65 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 176.19 2d3i h ALA 462 N -1.19 0.32 0.00 6.16 0.00 -1.90 0.15 119.26 122.80 2d3i h ALA 462 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2d3i h ALA 462 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2d3i h ALA 462 CO -0.07 0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2d3i n GLY 463 N 0.36 -1.49 2.09 0.00 0.00 -1.21 -4.30 105.19 100.64 2d3i n GLY 463 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2d3i n GLY 463 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2d3i n TRP 464 N -2.08 -3.20 -0.02 1.61 -0.00 -0.06 -4.21 117.44 109.49 2d3i n TRP 464 Ca 0.05 0.84 -0.09 0.00 -0.00 0.00 0.00 57.50 58.30 2d3i n TRP 464 Cb 0.34 1.86 -0.02 0.00 -0.00 0.00 0.00 31.31 33.49 2d3i n TRP 464 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 2d3i h VAL 465 N 0.00 0.52 0.76 5.87 2.07 -0.85 0.12 116.25 124.74 2d3i h VAL 465 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2d3i h VAL 465 Cb 0.00 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2d3i h VAL 465 CO 0.00 0.00 -0.36 0.40 0.02 0.00 0.00 177.57 177.63 2d3i h ILE 466 N -0.21 0.00 0.12 4.57 1.08 -1.19 0.24 117.51 122.11 2d3i h ILE 466 Ca 0.11 -0.23 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2d3i h ILE 466 Cb 0.38 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 2d3i h ILE 466 CO -0.29 0.00 -0.24 1.55 -0.69 0.00 0.00 178.15 178.48 2d3i h PRO 467 N -1.25 -0.43 -0.15 2.37 0.13 -1.76 -0.85 132.00 130.07 2d3i h PRO 467 Ca -0.10 0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2d3i h PRO 467 Cb 0.78 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2d3i h PRO 467 CO 0.17 -0.29 -0.36 0.52 -0.23 0.00 0.00 178.00 177.81 2d3i h MET 468 N -0.45 0.31 -0.14 0.86 2.86 -0.86 -2.16 114.93 115.34 2d3i h MET 468 Ca 0.03 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 2d3i h MET 468 Cb 0.47 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2d3i h MET 468 CO -0.14 0.63 -0.37 0.78 1.06 0.00 0.00 176.91 178.88 2d3i h GLY 469 N 1.14 0.32 1.24 8.32 0.00 -0.32 0.16 103.07 113.93 2d3i h GLY 469 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 2d3i h GLY 469 CO 0.06 0.27 -0.29 -2.00 0.00 0.00 0.00 176.54 174.57 2d3i h LEU 470 N 0.25 0.89 -0.10 3.11 5.85 -0.79 -0.18 115.31 124.34 2d3i h LEU 470 Ca 0.03 -0.36 -0.20 0.00 0.84 0.00 0.00 57.88 58.19 2d3i h LEU 470 Cb 0.77 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.56 2d3i h LEU 470 CO 0.06 1.11 -0.71 0.40 -0.34 0.00 0.00 178.44 178.97 2d3i h ILE 471 N 0.72 1.32 -0.70 4.05 2.04 -1.08 -2.46 117.51 121.41 2d3i h ILE 471 Ca 0.08 -1.97 -0.07 0.00 1.00 0.00 0.00 64.86 63.90 2d3i h ILE 471 Cb 0.84 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2d3i h ILE 471 CO 0.07 0.61 0.15 -0.74 0.00 0.00 0.00 178.15 178.24 2d3i h HIS 472 N 0.32 1.20 -0.14 1.37 2.76 -0.62 0.32 115.15 120.36 2d3i h HIS 472 Ca -0.06 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 2d3i h HIS 472 Cb 1.35 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.97 2d3i h HIS 472 CO 0.10 0.98 0.04 -0.97 -1.30 0.00 0.00 177.93 176.78 2d3i h ASN 473 N 1.07 0.22 -0.05 3.26 -1.24 -1.04 0.64 115.58 118.43 2d3i h ASN 473 Ca 0.22 -0.22 -0.22 0.00 0.71 0.00 0.00 56.30 56.78 2d3i h ASN 473 Cb 0.40 -0.06 0.02 0.00 0.73 0.00 0.00 38.32 39.41 2d3i h ASN 473 CO 0.01 0.38 -0.84 -0.09 -1.29 0.00 0.00 177.43 175.60 2d3i h ARG 474 N 0.04 0.66 0.08 6.67 2.43 -1.35 -3.37 114.38 119.53 2d3i h ARG 474 Ca 0.05 -0.64 -0.24 0.00 -0.81 0.00 0.00 59.98 58.34 2d3i h ARG 474 Cb 0.25 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2d3i h ARG 474 CO 0.00 1.24 -1.22 1.15 -1.51 0.00 0.00 179.97 179.64 2d3i h THR 475 N 0.32 1.10 0.00 0.20 2.02 -0.40 -3.48 112.91 112.66 2d3i h THR 475 Ca -0.09 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.74 2d3i h THR 475 Cb 1.49 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 2d3i h THR 475 CO 0.17 0.62 0.00 0.61 0.37 0.00 0.00 175.52 177.29 2d3i n GLY 476 N 1.67 0.49 3.86 2.16 0.00 0.22 -5.04 105.19 108.55 2d3i n GLY 476 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2d3i n GLY 476 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d3i s THR 477 N -2.20 4.61 0.00 2.61 -1.32 -1.26 -4.98 115.64 113.10 2d3i s THR 477 Ca 0.00 0.90 0.00 0.00 -1.21 0.00 0.00 61.69 61.38 2d3i s THR 477 Cb 0.00 -3.80 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 2d3i s THR 477 CO 0.00 -1.05 0.00 0.00 -2.21 0.00 0.00 174.62 171.36 2d3i n ASN 479 N -0.60 4.63 0.16 0.00 4.05 -1.26 -4.73 115.26 117.50 2d3i n ASN 479 Ca 0.00 -2.91 0.03 0.00 0.45 0.00 0.00 54.58 52.14 2d3i n ASN 479 Cb 0.00 -1.69 0.20 0.00 1.23 0.00 0.00 39.78 39.52 2d3i n ASN 479 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 2d3i h PHE 480 N 6.89 0.00 0.00 1.20 0.04 -2.01 -3.15 116.94 119.91 2d3i h PHE 480 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 2d3i h PHE 480 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 2d3i h PHE 480 CO 1.40 0.50 0.00 -3.47 -0.60 0.00 0.00 178.31 176.14 2d3i n ASP 481 N -3.49 0.00 0.00 2.17 4.64 -1.26 -1.70 116.55 116.91 2d3i n ASP 481 Ca 0.00 0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.75 2d3i n ASP 481 Cb 0.62 -0.39 0.00 0.00 -1.04 0.00 0.00 41.12 40.30 2d3i n ASP 481 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2d3i n GLU 482 N -1.39 0.40 0.10 -0.67 1.02 -1.19 -4.65 120.64 114.25 2d3i n GLU 482 Ca 0.03 -0.81 -0.23 0.00 -0.02 0.00 0.00 57.16 56.12 2d3i n GLU 482 Cb 0.07 -0.97 -0.15 0.00 -0.02 0.00 0.00 31.44 30.37 2d3i n GLU 482 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2d3i h TYR 483 N 0.00 0.78 -2.78 -0.32 5.03 -1.38 -3.45 116.97 114.84 2d3i h TYR 483 Ca 0.00 -0.57 -0.64 0.00 2.58 0.00 0.00 58.73 60.10 2d3i h TYR 483 Cb 0.21 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.40 2d3i h TYR 483 CO 0.00 1.47 -0.49 -0.06 -1.32 0.00 0.00 178.16 177.77 2d3i s PHE 484 N -2.52 3.56 0.21 -3.82 0.08 -1.25 0.57 117.98 114.81 2d3i s PHE 484 Ca -0.12 0.40 -0.10 0.00 0.12 0.00 0.00 56.93 57.23 2d3i s PHE 484 Cb 0.03 -1.85 0.29 0.00 -0.57 0.00 0.00 43.02 40.92 2d3i s PHE 484 CO 0.89 0.66 1.72 0.66 -0.10 0.00 0.00 175.22 179.05 2d3i h SER 485 N 4.03 0.08 -5.68 1.36 4.64 -1.23 -3.45 113.55 113.31 2d3i h SER 485 Ca -0.50 0.10 0.29 0.00 -0.47 0.00 0.00 61.79 61.21 2d3i h SER 485 Cb 1.20 0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.31 2d3i h SER 485 CO 0.67 0.05 0.76 -1.83 -0.87 0.00 0.00 176.83 175.61 2d3i s GLU 486 N -6.10 0.61 0.00 4.77 1.03 -1.25 -4.98 118.70 112.78 2d3i s GLU 486 Ca -0.13 -0.35 0.00 0.00 0.03 0.00 0.00 54.97 54.52 2d3i s GLU 486 Cb 0.18 0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.70 2d3i s GLU 486 CO 0.74 -0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.80 2d3i n GLY 487 N -0.56 -1.40 3.05 -3.83 0.00 -0.99 -2.18 105.19 99.28 2d3i n GLY 487 Ca -0.06 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 2d3i n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d3i s ALA 489 N 1.37 1.36 0.20 0.00 0.00 0.79 0.06 121.76 125.54 2d3i s ALA 489 Ca 0.03 -2.23 -0.30 0.00 0.00 0.00 0.00 51.96 49.46 2d3i s ALA 489 Cb -0.14 -1.66 -0.16 0.00 0.00 0.00 0.00 23.12 21.15 2d3i s ALA 489 CO -0.11 -2.06 0.81 -2.30 0.00 0.00 0.00 175.76 172.10 2d3i n PRO 490 N 3.51 0.56 0.00 0.00 -0.02 -1.26 -2.32 135.00 135.48 2d3i n PRO 490 Ca 0.17 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2d3i n PRO 490 Cb 0.40 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2d3i n PRO 490 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d3i n GLY 491 N 1.74 0.48 3.84 -1.23 0.00 0.36 -1.07 105.19 109.31 2d3i n GLY 491 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2d3i n GLY 491 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d3i s SER 492 N -1.88 4.83 0.27 1.61 0.01 -0.98 -4.94 113.70 112.62 2d3i s SER 492 Ca 0.00 1.19 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 2d3i s SER 492 Cb 0.00 -1.93 -0.13 0.00 0.21 0.00 0.00 66.02 64.17 2d3i s SER 492 CO 0.00 -1.74 1.41 -2.65 0.41 0.00 0.00 173.24 170.67 2d3i n PRO 493 N -3.27 2.14 -0.30 12.44 -0.02 -1.26 -4.87 135.00 139.86 2d3i n PRO 493 Ca 0.07 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 2d3i n PRO 493 Cb 0.57 -2.42 0.30 0.00 -0.02 0.00 0.00 33.50 31.93 2d3i n PRO 493 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2d3i h PRO 494 N 3.97 0.36 -0.09 0.52 0.13 -1.93 -0.19 132.00 134.77 2d3i h PRO 494 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2d3i h PRO 494 Cb 1.27 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d3i h PRO 494 CO 0.74 0.24 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 2d3i n ASN 495 N -5.07 1.71 -4.78 1.44 3.02 -1.26 -4.84 115.26 105.48 2d3i n ASN 495 Ca 0.22 -1.63 -0.31 0.00 -0.03 0.00 0.00 54.58 52.83 2d3i n ASN 495 Cb 0.65 -0.05 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 2d3i n ASN 495 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2d3i s SER 496 N -1.80 4.69 0.49 6.41 1.04 -0.09 -4.95 113.70 119.49 2d3i s SER 496 Ca 0.35 1.74 0.28 0.00 0.48 0.00 0.00 55.95 58.81 2d3i s SER 496 Cb 0.20 -2.49 0.97 0.00 0.10 0.00 0.00 66.02 64.79 2d3i s SER 496 CO 0.30 -1.91 1.84 0.03 0.98 0.00 0.00 173.24 174.48 2d3i h ARG 497 N -1.04 0.00 0.00 4.02 3.08 -1.86 -2.63 114.38 115.95 2d3i h ARG 497 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2d3i h ARG 497 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2d3i h ARG 497 CO 0.53 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 2d3i n LEU 498 N -3.17 0.00 -0.00 3.04 4.77 -1.26 -2.36 117.00 118.03 2d3i n LEU 498 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2d3i n LEU 498 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2d3i n LEU 498 CO 0.31 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 176.21 2d3i h GLN 500 N 0.00 0.00 -0.00 0.00 4.20 -1.42 -1.95 115.11 115.94 2d3i h GLN 500 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2d3i h GLN 500 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2d3i h GLN 500 CO 0.00 0.00 -0.75 1.28 -0.67 0.00 0.00 178.83 178.69 2d3i n LEU 501 N -4.32 0.76 -4.72 1.46 4.77 -1.07 -4.95 117.00 108.94 2d3i n LEU 501 Ca 0.08 -0.26 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 2d3i n LEU 501 Cb 0.56 -0.12 0.11 0.00 -2.33 0.00 0.00 43.42 41.64 2d3i n LEU 501 CO 0.36 0.19 0.74 0.00 -1.33 0.00 0.00 177.39 177.35 2d3i n GLN 503 N -3.26 5.28 0.00 0.00 1.13 -1.26 -4.84 117.38 114.42 2d3i n GLN 503 Ca 0.12 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2d3i n GLN 503 Cb 0.51 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 30.19 2d3i n GLN 503 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2d3i n GLY 504 N 0.95 -1.12 0.08 1.08 0.00 -1.26 -4.01 105.19 100.90 2d3i n GLY 504 Ca 0.01 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.97 2d3i n GLY 504 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d3i n SER 505 N -0.94 0.74 0.00 1.61 3.41 0.11 -2.25 113.62 116.30 2d3i n SER 505 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2d3i n SER 505 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2d3i n SER 505 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d3i n GLY 506 N 1.33 0.59 0.00 5.00 0.00 -1.26 -4.94 105.19 105.92 2d3i n GLY 506 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2d3i n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3i n GLY 507 N -2.80 5.09 3.02 -0.02 0.00 -1.26 -5.09 105.19 104.13 2d3i n GLY 507 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 2d3i n GLY 507 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2d3i s ILE 508 N 2.43 -0.14 0.89 -0.61 1.10 -1.26 -3.67 121.20 119.95 2d3i s ILE 508 Ca 0.00 0.19 -0.11 0.00 -0.51 0.00 0.00 60.65 60.23 2d3i s ILE 508 Cb 0.00 -0.37 0.13 0.00 0.15 0.00 0.00 42.46 42.37 2d3i s ILE 508 CO 0.00 0.08 1.11 -2.16 -2.11 0.00 0.00 174.94 171.86 2d3i s PRO 509 N 1.58 1.22 0.15 3.50 0.04 -1.26 -5.09 135.00 135.14 2d3i s PRO 509 Ca -0.06 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 2d3i s PRO 509 Cb -0.11 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2d3i s PRO 509 CO -0.08 -2.40 1.71 -1.35 0.04 0.00 0.00 177.00 174.92 2d3i h PRO 510 N -1.69 0.11 -4.87 0.56 0.11 -1.98 -3.44 132.00 120.80 2d3i h PRO 510 Ca -0.46 -0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.26 2d3i h PRO 510 Cb 1.27 -0.03 0.09 0.00 0.11 0.00 0.00 31.00 32.44 2d3i h PRO 510 CO 0.47 0.07 -0.61 0.39 -0.21 0.00 0.00 178.00 178.11 2d3i n GLU 511 N -5.16 -5.97 -2.12 1.05 1.02 -1.26 0.04 120.64 108.24 2d3i n GLU 511 Ca 0.01 0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 57.59 2d3i n GLU 511 Cb 0.17 -5.71 -0.02 0.00 -0.02 0.00 0.00 31.44 25.86 2d3i n GLU 511 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2d3i s LYS 512 N -5.91 4.34 0.00 3.49 2.20 -1.26 -2.89 119.74 119.71 2d3i s LYS 512 Ca 0.41 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 2d3i s LYS 512 Cb -0.18 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2d3i s LYS 512 CO 0.50 -0.26 0.00 0.00 -0.36 0.00 0.00 175.35 175.23 2d3i s VAL 514 N -1.71 2.93 -1.30 0.00 0.11 -1.14 -0.49 120.40 118.80 2d3i s VAL 514 Ca 0.00 0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 59.74 2d3i s VAL 514 Cb 0.00 -3.44 0.15 0.00 -1.53 0.00 0.00 36.38 31.56 2d3i s VAL 514 CO 0.00 0.07 1.92 0.00 -3.33 0.00 0.00 175.10 173.77 2d3i n ALA 515 N -0.01 5.40 -3.83 1.54 0.00 -1.26 -4.36 120.51 117.99 2d3i n ALA 515 Ca 0.05 -4.26 -0.06 0.00 0.00 0.00 0.00 53.44 49.16 2d3i n ALA 515 Cb 0.46 -3.05 -0.01 0.00 0.00 0.00 0.00 19.45 16.84 2d3i n ALA 515 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2d3i s SER 516 N 1.15 -0.21 0.01 0.00 1.04 -1.26 -4.33 113.70 110.10 2d3i s SER 516 Ca 0.40 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2d3i s SER 516 Cb 0.10 0.68 0.16 0.00 0.10 0.00 0.00 66.02 67.06 2d3i s SER 516 CO -0.01 -1.26 1.11 -1.54 0.98 0.00 0.00 173.24 172.52 2d3i n SER 517 N -0.55 0.02 0.21 7.02 3.41 -1.26 -1.32 113.62 121.14 2d3i n SER 517 Ca -0.05 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.12 2d3i n SER 517 Cb 0.59 -0.51 0.46 0.00 -0.26 0.00 0.00 64.21 64.50 2d3i n SER 517 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2d3i h HIS 518 N 0.00 0.00 -3.24 7.33 -0.00 -1.93 -3.40 115.15 113.91 2d3i h HIS 518 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.78 2d3i h HIS 518 Cb 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.38 2d3i h HIS 518 CO 0.00 0.28 0.54 -2.00 -0.00 0.00 0.00 177.93 176.75 2d3i s GLU 519 N -4.21 4.22 0.47 2.45 2.56 -0.43 -2.76 118.70 120.98 2d3i s GLU 519 Ca -0.03 1.05 0.25 0.00 0.00 0.00 0.00 54.97 56.24 2d3i s GLU 519 Cb 0.14 -3.63 1.27 0.00 2.00 0.00 0.00 34.13 33.91 2d3i s GLU 519 CO 0.69 -0.51 1.84 -0.22 -0.56 0.00 0.00 175.26 176.49 2d3i h LYS 520 N 7.57 0.22 -0.57 4.30 1.63 -1.67 -1.12 116.57 126.94 2d3i h LYS 520 Ca -0.23 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.47 2d3i h LYS 520 Cb 1.09 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.62 2d3i h LYS 520 CO 0.89 0.14 0.10 0.66 -3.45 0.00 0.00 179.45 177.80 2d3i n TYR 521 N -4.42 1.97 -3.07 1.91 4.01 -1.26 -4.61 117.16 111.70 2d3i n TYR 521 Ca 0.21 -0.98 -0.36 0.00 -0.16 0.00 0.00 57.90 56.61 2d3i n TYR 521 Cb 0.89 -0.54 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 2d3i n TYR 521 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2d3i s PHE 522 N -2.90 3.61 0.00 -0.72 2.19 -0.42 -2.99 117.98 116.75 2d3i s PHE 522 Ca 0.52 1.41 0.00 0.00 0.33 0.00 0.00 56.93 59.19 2d3i s PHE 522 Cb 0.41 -2.64 0.00 0.00 -1.31 0.00 0.00 43.02 39.48 2d3i s PHE 522 CO 0.13 0.28 0.00 0.41 1.83 0.00 0.00 175.22 177.87 2d3i n GLY 523 N 0.54 -0.95 0.13 13.12 0.00 -0.56 -2.52 105.19 114.95 2d3i n GLY 523 Ca -0.01 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.28 2d3i n GLY 523 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2d3i h TYR 524 N 0.00 0.03 -0.03 1.61 0.05 -1.92 -0.31 116.97 116.40 2d3i h TYR 524 Ca 0.00 0.02 -0.18 0.00 0.05 0.00 0.00 58.73 58.62 2d3i h TYR 524 Cb 0.00 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2d3i h TYR 524 CO 0.00 -0.02 -0.76 1.15 -1.05 0.00 0.00 178.16 177.48 2d3i h THR 525 N 0.12 1.44 -0.71 -2.88 2.02 -1.86 -2.92 112.91 108.11 2d3i h THR 525 Ca 0.13 -2.34 -0.06 0.00 0.77 0.00 0.00 66.41 64.92 2d3i h THR 525 Cb 0.16 2.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 2d3i h THR 525 CO -0.21 0.69 0.22 1.23 0.37 0.00 0.00 175.52 177.82 2d3i h GLY 526 N 1.64 1.20 2.00 2.16 0.00 -1.16 -2.25 103.07 106.66 2d3i h GLY 526 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 2d3i h GLY 526 CO 0.12 0.67 -0.36 0.00 0.00 0.00 0.00 176.54 176.97 2d3i h ALA 527 N 1.10 1.13 -0.23 3.60 0.00 -0.96 -2.08 119.26 121.83 2d3i h ALA 527 Ca 0.23 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2d3i h ALA 527 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2d3i h ALA 527 CO -0.01 0.45 -0.29 1.25 0.00 0.00 0.00 179.25 180.65 2d3i h LEU 528 N 0.00 0.65 -0.20 0.00 5.85 -1.27 -2.25 115.31 118.09 2d3i h LEU 528 Ca -0.00 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.23 2d3i h LEU 528 Cb 0.77 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2d3i h LEU 528 CO 0.05 1.02 0.09 -0.09 -0.34 0.00 0.00 178.44 179.17 2d3i h ARG 529 N 0.29 0.20 -0.81 1.25 2.43 -1.19 -0.78 114.38 115.76 2d3i h ARG 529 Ca 0.03 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 2d3i h ARG 529 Cb 0.87 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.31 2d3i h ARG 529 CO 0.07 0.13 0.54 0.00 -1.51 0.00 0.00 179.97 179.19 2d3i h LEU 531 N 0.48 0.61 -0.48 0.00 5.85 -0.63 0.78 115.31 121.92 2d3i h LEU 531 Ca 0.40 -0.47 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 2d3i h LEU 531 Cb 0.86 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 2d3i h LEU 531 CO -0.15 0.95 -0.25 0.58 -0.34 0.00 0.00 178.44 179.24 2d3i h VAL 532 N 0.27 1.27 0.07 1.05 2.07 0.27 -3.19 116.25 118.06 2d3i h VAL 532 Ca 0.04 -1.41 -0.31 0.00 0.82 0.00 0.00 66.70 65.83 2d3i h VAL 532 Cb 0.78 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2d3i h VAL 532 CO 0.06 0.49 -1.71 -0.33 0.02 0.00 0.00 177.57 176.09 2d3i h GLU 533 N 0.85 0.14 0.00 1.57 5.08 0.06 -3.46 114.58 118.82 2d3i h GLU 533 Ca 0.10 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2d3i h GLU 533 Cb 0.83 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2d3i h GLU 533 CO 0.07 0.88 0.00 1.63 -1.00 0.00 0.00 179.01 180.59 2d3i n LYS 534 N -3.29 0.09 -3.42 2.33 5.02 0.22 -5.06 118.16 114.06 2d3i n LYS 534 Ca -0.20 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.87 2d3i n LYS 534 Cb 1.04 -0.01 0.02 0.00 -0.02 0.00 0.00 35.03 36.07 2d3i n LYS 534 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2d3i s GLY 535 N 0.00 2.03 -0.07 0.72 0.00 0.17 -4.95 107.32 105.23 2d3i s GLY 535 Ca 0.00 -1.75 0.15 0.00 0.00 0.00 0.00 44.72 43.12 2d3i s GLY 535 CO 0.00 -1.77 0.24 1.22 0.00 0.00 0.00 173.10 172.78 2d3i n ASP 536 N -1.96 1.36 -3.72 1.64 10.43 -0.05 -4.77 116.55 119.49 2d3i n ASP 536 Ca 0.07 0.00 -0.13 0.00 2.57 0.00 0.00 54.79 57.30 2d3i n ASP 536 Cb 0.62 1.40 -0.09 0.00 1.84 0.00 0.00 41.12 44.89 2d3i n ASP 536 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2d3i s VAL 537 N -2.82 0.01 -0.04 2.53 0.11 -1.04 -4.34 120.40 114.81 2d3i s VAL 537 Ca -0.06 -0.07 0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2d3i s VAL 537 Cb 0.08 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 2d3i s VAL 537 CO 0.64 -0.04 -0.23 0.00 -3.33 0.00 0.00 175.10 172.14 2d3i s ALA 538 N -0.05 2.01 -0.46 1.54 0.00 0.13 -0.77 121.76 124.14 2d3i s ALA 538 Ca -0.02 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 2d3i s ALA 538 Cb -0.03 -0.58 0.12 0.00 0.00 0.00 0.00 23.12 22.62 2d3i s ALA 538 CO 0.02 0.42 0.32 -0.06 0.00 0.00 0.00 175.76 176.46 2d3i s PHE 539 N -0.29 3.44 0.00 0.00 0.08 -0.33 -0.38 117.98 120.50 2d3i s PHE 539 Ca 0.01 -1.92 0.00 0.00 0.12 0.00 0.00 56.93 55.15 2d3i s PHE 539 Cb -0.12 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 2d3i s PHE 539 CO 0.02 -0.98 0.00 0.44 -0.10 0.00 0.00 175.22 174.59 2d3i n ILE 540 N 4.87 0.00 -3.75 0.64 -5.35 -0.99 -3.30 119.36 111.48 2d3i n ILE 540 Ca -0.07 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.20 2d3i n ILE 540 Cb 0.41 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 2d3i n ILE 540 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2d3i s GLN 541 N 1.18 2.80 0.57 6.28 -2.07 -1.26 -1.13 119.66 126.04 2d3i s GLN 541 Ca 0.00 -1.24 0.28 0.00 -1.82 0.00 0.00 55.36 52.58 2d3i s GLN 541 Cb 0.00 -2.54 1.52 0.00 -1.09 0.00 0.00 33.01 30.89 2d3i s GLN 541 CO 0.00 0.09 2.01 1.12 -1.32 0.00 0.00 175.29 177.19 2d3i h HIS 542 N 1.18 0.00 0.00 9.60 2.07 -1.39 -2.48 115.15 124.13 2d3i h HIS 542 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2d3i h HIS 542 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2d3i h HIS 542 CO 0.51 0.00 -0.83 -1.13 -3.07 0.00 0.00 177.93 173.41 2d3i n SER 543 N -3.95 0.76 -0.17 3.10 3.41 -1.26 -4.60 113.62 110.90 2d3i n SER 543 Ca 0.06 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 58.03 2d3i n SER 543 Cb 0.51 0.71 0.04 0.00 -0.26 0.00 0.00 64.21 65.22 2d3i n SER 543 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2d3i h THR 544 N 0.00 0.48 -0.45 6.66 2.02 -1.84 0.25 112.91 120.03 2d3i h THR 544 Ca 0.00 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2d3i h THR 544 Cb 0.53 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2d3i h THR 544 CO 0.00 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.62 2d3i h VAL 545 N 0.01 1.22 0.19 3.16 2.07 -1.81 -2.49 116.25 118.59 2d3i h VAL 545 Ca 0.25 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2d3i h VAL 545 Cb 0.39 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2d3i h VAL 545 CO -0.54 0.26 -0.40 -0.08 0.02 0.00 0.00 177.57 176.83 2d3i h GLU 546 N 0.59 -0.65 -0.31 1.57 4.22 -1.57 -2.21 114.58 116.21 2d3i h GLU 546 Ca 0.15 0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.72 2d3i h GLU 546 Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2d3i h GLU 546 CO -0.01 -0.43 0.28 0.93 -2.18 0.00 0.00 179.01 177.60 2d3i h GLU 547 N -0.68 0.00 -0.44 1.92 5.08 -0.39 -2.63 114.58 117.44 2d3i h GLU 547 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2d3i h GLU 547 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2d3i h GLU 547 CO -0.19 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.91 2d3i n ASN 548 N -4.05 3.48 -3.90 1.42 4.13 -0.95 -4.28 115.26 111.11 2d3i n ASN 548 Ca 0.05 -2.19 -0.22 0.00 1.68 0.00 0.00 54.58 53.89 2d3i n ASN 548 Cb 0.44 -0.36 -0.04 0.00 -1.54 0.00 0.00 39.78 38.28 2d3i n ASN 548 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2d3i n THR 549 N 0.66 0.00 -2.87 3.41 -2.24 -0.88 -4.39 114.28 107.97 2d3i n THR 549 Ca 0.17 -1.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.08 2d3i n THR 549 Cb 0.58 0.23 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 2d3i n THR 549 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2d3i n GLY 550 N 0.65 -0.47 3.18 3.38 0.00 -1.25 -1.72 105.19 108.96 2d3i n GLY 550 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2d3i n GLY 550 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3i n GLY 551 N -1.41 0.04 0.30 -0.02 0.00 -1.26 -4.82 105.19 98.01 2d3i n GLY 551 Ca -0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.08 2d3i n GLY 551 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d3i h LYS 552 N 0.08 0.00 -4.89 1.61 1.57 -1.60 -3.37 116.57 109.97 2d3i h LYS 552 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2d3i h LYS 552 Cb 0.72 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.69 2d3i h LYS 552 CO 0.00 0.00 -0.77 1.21 -0.57 0.00 0.00 179.45 179.32 2d3i s ASN 553 N -5.41 4.32 -0.17 0.86 3.84 -1.26 -4.96 114.94 112.16 2d3i s ASN 553 Ca -0.01 -1.06 0.05 0.00 0.21 0.00 0.00 52.86 52.04 2d3i s ASN 553 Cb 0.11 -1.62 0.38 0.00 -0.55 0.00 0.00 41.25 39.56 2d3i s ASN 553 CO 0.48 -0.15 1.30 0.29 -2.79 0.00 0.00 177.10 176.22 2d3i n LYS 554 N 4.59 2.30 -2.83 0.43 5.02 -1.26 -2.95 118.16 123.47 2d3i n LYS 554 Ca -0.16 -1.55 -0.37 0.00 -2.02 0.00 0.00 58.31 54.21 2d3i n LYS 554 Cb 0.45 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2d3i n LYS 554 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2d3i s ALA 555 N -1.77 3.26 0.28 7.82 0.00 -1.26 -4.73 121.76 125.35 2d3i s ALA 555 Ca 0.28 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 2d3i s ALA 555 Cb 0.23 -3.13 0.62 0.00 0.00 0.00 0.00 23.12 20.84 2d3i s ALA 555 CO 0.07 0.21 1.62 -0.44 0.00 0.00 0.00 175.76 177.22 2d3i h ASP 556 N 3.37 -0.24 0.44 0.00 3.45 -1.99 1.06 116.42 122.51 2d3i h ASP 556 Ca -0.47 0.22 -0.05 0.00 0.43 0.00 0.00 57.03 57.16 2d3i h ASP 556 Cb 1.19 0.35 -0.01 0.00 -0.56 0.00 0.00 39.33 40.30 2d3i h ASP 556 CO 0.65 -0.21 -0.25 4.11 -1.57 0.00 0.00 179.24 181.97 2d3i h TRP 557 N 0.12 0.00 -0.00 4.55 5.08 -1.96 -3.30 115.95 120.44 2d3i h TRP 557 Ca 0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.48 2d3i h TRP 557 Cb 1.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 2d3i h TRP 557 CO -0.38 0.25 -0.08 0.00 -1.28 0.00 0.00 178.44 176.95 2d3i n ALA 558 N -2.37 2.23 0.31 0.11 0.00 -0.05 -4.69 120.51 116.05 2d3i n ALA 558 Ca -0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2d3i n ALA 558 Cb 0.34 -0.06 0.60 0.00 0.00 0.00 0.00 19.45 20.32 2d3i n ALA 558 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2d3i h LYS 559 N 0.00 0.00 0.00 0.00 2.10 0.12 -0.21 116.57 118.58 2d3i h LYS 559 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2d3i h LYS 559 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 2d3i h LYS 559 CO 0.00 0.00 -0.03 0.09 -2.00 0.00 0.00 179.45 177.51 2d3i n ASN 560 N -2.84 1.65 -4.77 7.07 3.02 -1.26 -4.57 115.26 113.55 2d3i n ASN 560 Ca -0.00 -2.10 -0.38 0.00 -0.03 0.00 0.00 54.58 52.07 2d3i n ASN 560 Cb 0.58 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 2d3i n ASN 560 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d3i s LEU 561 N -1.22 4.10 0.04 3.41 1.02 -0.09 -5.04 118.68 120.90 2d3i s LEU 561 Ca 0.07 2.43 0.08 0.00 0.02 0.00 0.00 54.13 56.73 2d3i s LEU 561 Cb 0.06 -4.11 -0.03 0.00 0.02 0.00 0.00 46.19 42.14 2d3i s LEU 561 CO 0.01 -0.89 -0.21 -1.10 0.02 0.00 0.00 176.35 174.18 2d3i s GLN 562 N -2.50 1.97 0.24 1.70 -1.52 -1.26 -3.85 119.66 114.44 2d3i s GLN 562 Ca 0.61 -1.03 -0.06 0.00 -1.95 0.00 0.00 55.36 52.93 2d3i s GLN 562 Cb -0.32 -2.11 0.29 0.00 -0.22 0.00 0.00 33.01 30.64 2d3i s GLN 562 CO 0.40 0.53 1.87 1.98 -0.25 0.00 0.00 175.29 179.82 2d3i h MET 563 N 4.61 1.03 0.00 2.91 -1.53 -1.96 -1.68 114.93 118.31 2d3i h MET 563 Ca -0.47 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 55.72 2d3i h MET 563 Cb 1.15 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.97 2d3i h MET 563 CO 0.46 0.68 0.00 -3.47 0.14 0.00 0.00 176.91 174.72 2d3i n ASP 564 N -4.56 0.00 -0.07 1.39 -0.08 -1.26 -2.48 116.55 109.49 2d3i n ASP 564 Ca 0.11 -0.40 0.15 0.00 -1.51 0.00 0.00 54.79 53.15 2d3i n ASP 564 Cb 0.12 -0.09 0.79 0.00 2.34 0.00 0.00 41.12 44.29 2d3i n ASP 564 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2d3i n ASP 565 N -1.09 0.24 -4.31 1.67 10.43 -0.63 -4.81 116.55 118.05 2d3i n ASP 565 Ca 0.12 -0.76 -0.16 0.00 2.57 0.00 0.00 54.79 56.56 2d3i n ASP 565 Cb 0.09 -0.08 -0.10 0.00 1.84 0.00 0.00 41.12 42.86 2d3i n ASP 565 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2d3i s PHE 566 N -2.23 1.49 0.04 1.24 0.08 -1.04 -1.86 117.98 115.71 2d3i s PHE 566 Ca 0.39 -0.84 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 2d3i s PHE 566 Cb 0.21 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 2d3i s PHE 566 CO 0.41 0.04 0.19 -1.21 -0.10 0.00 0.00 175.22 174.54 2d3i s GLU 567 N -3.81 0.70 0.01 0.44 2.02 -0.87 -4.44 118.70 112.75 2d3i s GLU 567 Ca 0.24 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.50 2d3i s GLU 567 Cb 0.04 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 2d3i s GLU 567 CO 0.06 -0.20 0.26 -0.51 0.02 0.00 0.00 175.26 174.89 2d3i s LEU 568 N -2.15 4.37 -0.29 1.80 1.43 0.23 -1.91 118.68 122.15 2d3i s LEU 568 Ca -0.04 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.51 2d3i s LEU 568 Cb -0.01 -2.66 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2d3i s LEU 568 CO -0.04 0.26 0.15 -0.76 0.23 0.00 0.00 176.35 176.18 2d3i s LEU 569 N -1.76 3.98 0.56 1.79 1.43 -0.08 -1.18 118.68 123.43 2d3i s LEU 569 Ca 0.27 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2d3i s LEU 569 Cb -0.13 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2d3i s LEU 569 CO 0.16 -0.13 0.86 0.00 0.23 0.00 0.00 176.35 177.47 2d3i h THR 571 N -0.07 1.25 0.00 0.00 2.02 -1.86 -2.64 112.91 111.60 2d3i h THR 571 Ca -0.46 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 65.61 2d3i h THR 571 Cb 1.25 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2d3i h THR 571 CO 0.60 0.38 0.00 -0.90 0.37 0.00 0.00 175.52 175.97 2d3i n ASP 572 N -4.18 0.00 0.00 4.18 5.68 -1.26 -4.81 116.55 116.16 2d3i n ASP 572 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2d3i n ASP 572 Cb 0.35 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2d3i n ASP 572 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d3i n GLY 573 N -0.46 1.78 3.88 6.12 0.00 -1.00 -5.03 105.19 110.49 2d3i n GLY 573 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2d3i n GLY 573 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2d3i n ARG 574 N -1.99 -1.48 -4.28 1.61 1.85 -1.26 -4.45 116.66 106.66 2d3i n ARG 574 Ca 0.00 -2.06 -0.16 0.00 -1.00 0.00 0.00 57.85 54.63 2d3i n ARG 574 Cb 0.00 -1.41 -0.10 0.00 -1.05 0.00 0.00 32.46 29.89 2d3i n ARG 574 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2d3i s ARG 575 N -5.91 1.13 0.26 2.89 0.52 -1.26 -1.61 118.95 114.97 2d3i s ARG 575 Ca 0.76 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2d3i s ARG 575 Cb -0.02 -0.81 -0.00 0.00 0.52 0.00 0.00 34.95 34.64 2d3i s ARG 575 CO 0.54 0.12 0.47 0.00 0.02 0.00 0.00 175.30 176.45 2d3i s ALA 576 N -3.05 -0.05 0.34 2.13 0.00 -0.33 -4.93 121.76 115.86 2d3i s ALA 576 Ca 0.17 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 2d3i s ALA 576 Cb 0.01 1.08 -0.09 0.00 0.00 0.00 0.00 23.12 24.11 2d3i s ALA 576 CO 0.03 -0.84 1.20 1.21 0.00 0.00 0.00 175.76 177.36 2d3i s ASN 577 N -3.06 6.83 0.40 0.00 3.84 -1.26 -0.61 114.94 121.09 2d3i s ASN 577 Ca 0.24 2.46 0.21 0.00 0.21 0.00 0.00 52.86 55.97 2d3i s ASN 577 Cb -0.00 -2.63 1.13 0.00 -0.55 0.00 0.00 41.25 39.19 2d3i s ASN 577 CO 0.11 -0.47 1.59 -0.37 -2.79 0.00 0.00 177.10 175.17 2d3i h VAL 578 N 2.81 0.00 -0.00 -5.21 -1.51 -1.89 1.00 116.25 111.45 2d3i h VAL 578 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2d3i h VAL 578 Cb 1.22 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2d3i h VAL 578 CO 0.65 0.00 -0.34 0.23 -1.23 0.00 0.00 177.57 176.87 2d3i n MET 579 N -2.32 0.52 -1.24 5.19 2.81 -1.26 -3.95 117.12 116.87 2d3i n MET 579 Ca -0.01 -0.30 -0.23 0.00 -1.81 0.00 0.00 57.70 55.34 2d3i n MET 579 Cb 0.22 -1.49 0.14 0.00 -0.71 0.00 0.00 33.22 31.38 2d3i n MET 579 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2d3i n ASP 580 N -0.98 4.72 0.14 7.83 8.00 0.35 -4.65 116.55 131.95 2d3i n ASP 580 Ca 0.10 -3.71 0.15 0.00 0.71 0.00 0.00 54.79 52.03 2d3i n ASP 580 Cb 0.34 -0.80 0.69 0.00 -0.02 0.00 0.00 41.12 41.34 2d3i n ASP 580 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2d3i h TYR 581 N 1.38 0.00 0.00 1.24 -0.00 -1.72 -0.08 116.97 117.80 2d3i h TYR 581 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.23 2d3i h TYR 581 Cb 1.92 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.64 2d3i h TYR 581 CO 1.38 0.00 -0.09 0.00 -0.00 0.00 0.00 178.16 179.45 2d3i h ARG 582 N 0.00 0.00 -0.02 0.10 3.08 -1.94 -2.02 114.38 113.58 2d3i h ARG 582 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2d3i h ARG 582 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2d3i h ARG 582 CO -0.00 0.09 -0.02 0.39 -1.07 0.00 0.00 179.97 179.36 2d3i n GLU 583 N -3.68 0.97 -3.03 0.04 4.71 -0.12 -4.77 120.64 114.77 2d3i n GLU 583 Ca -0.02 -1.27 -0.15 0.00 -0.01 0.00 0.00 57.16 55.71 2d3i n GLU 583 Cb 0.20 -1.26 -0.03 0.00 -1.01 0.00 0.00 31.44 29.34 2d3i n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2d3i s ASN 585 N -0.02 0.35 0.45 0.00 2.20 -1.13 -4.54 114.94 112.25 2d3i s ASN 585 Ca 0.32 -0.63 0.25 0.00 -0.94 0.00 0.00 52.86 51.86 2d3i s ASN 585 Cb 0.07 0.12 0.93 0.00 -2.00 0.00 0.00 41.25 40.37 2d3i s ASN 585 CO -0.14 -0.37 1.83 -0.07 -2.94 0.00 0.00 177.10 175.41 2d3i h LEU 586 N 4.25 0.00 0.00 3.54 3.38 -1.04 -3.44 115.31 122.01 2d3i h LEU 586 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2d3i h LEU 586 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2d3i h LEU 586 CO 0.47 0.19 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2d3i n ALA 587 N -2.20 0.00 -2.68 1.53 0.00 -1.18 -4.99 120.51 111.00 2d3i n ALA 587 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 2d3i n ALA 587 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2d3i n ALA 587 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d3i s GLU 588 N -2.00 4.13 0.20 0.00 2.12 -1.26 -0.60 118.70 121.29 2d3i s GLU 588 Ca 0.00 -0.13 0.08 0.00 0.36 0.00 0.00 54.97 55.27 2d3i s GLU 588 Cb 0.00 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 2d3i s GLU 588 CO 0.00 0.09 -0.15 0.14 -0.54 0.00 0.00 175.26 174.80 2d3i s VAL 589 N 0.96 1.76 0.64 3.70 -7.23 0.60 -4.97 120.40 115.86 2d3i s VAL 589 Ca 0.11 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 57.91 2d3i s VAL 589 Cb -0.13 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2d3i s VAL 589 CO 0.04 -0.57 1.22 -2.16 -0.31 0.00 0.00 175.10 173.32 2d3i s PRO 590 N -3.58 2.65 0.85 4.82 0.04 -1.26 -1.75 135.00 136.76 2d3i s PRO 590 Ca 0.22 1.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 2d3i s PRO 590 Cb -0.01 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.75 2d3i s PRO 590 CO 0.07 -1.46 1.22 0.95 0.04 0.00 0.00 177.00 177.81 2d3i s THR 591 N -1.68 2.00 0.54 1.26 -4.23 -1.26 -4.64 115.64 107.63 2d3i s THR 591 Ca 0.77 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 2d3i s THR 591 Cb -0.31 -3.00 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 2d3i s THR 591 CO 0.38 0.00 1.10 -1.00 -0.54 0.00 0.00 174.62 174.56 2d3i s HIS 592 N -3.66 2.76 0.05 3.99 3.76 -1.26 -4.34 115.29 116.58 2d3i s HIS 592 Ca 0.65 1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 57.09 2d3i s HIS 592 Cb -0.09 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 2d3i s HIS 592 CO 0.50 -1.39 0.00 0.00 -0.85 0.00 0.00 174.74 173.00 2d3i s ALA 593 N -1.91 0.36 -0.23 -1.40 0.00 -0.62 -0.70 121.76 117.25 2d3i s ALA 593 Ca 0.70 -1.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2d3i s ALA 593 Cb -0.21 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2d3i s ALA 593 CO 0.27 -0.36 0.64 0.08 0.00 0.00 0.00 175.76 176.39 2d3i s VAL 594 N -3.61 4.99 0.04 0.00 1.01 0.15 -0.27 120.40 122.71 2d3i s VAL 594 Ca 0.04 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2d3i s VAL 594 Cb 0.05 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2d3i s VAL 594 CO -0.09 0.05 -0.00 0.68 0.00 0.00 0.00 175.10 175.74 2d3i s VAL 595 N 2.32 4.06 0.31 2.92 -7.23 -0.61 -1.11 120.40 121.07 2d3i s VAL 595 Ca 0.27 -0.77 -0.06 0.00 -1.81 0.00 0.00 61.98 59.62 2d3i s VAL 595 Cb -0.16 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.92 2d3i s VAL 595 CO 0.09 0.27 0.46 0.68 -0.31 0.00 0.00 175.10 176.30 2d3i s VAL 596 N -1.17 0.00 0.38 1.32 -7.23 -0.55 -3.41 120.40 109.75 2d3i s VAL 596 Ca 0.22 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.59 2d3i s VAL 596 Cb -0.12 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.20 2d3i s VAL 596 CO 0.13 0.00 1.04 -0.13 -0.31 0.00 0.00 175.10 175.84 2d3i s ARG 597 N -3.34 4.24 0.27 4.82 0.52 -1.26 -0.77 118.95 123.42 2d3i s ARG 597 Ca 0.28 1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 56.99 2d3i s ARG 597 Cb -0.00 -2.61 0.60 0.00 0.52 0.00 0.00 34.95 33.46 2d3i s ARG 597 CO 0.16 -0.07 1.67 -1.35 0.02 0.00 0.00 175.30 175.73 2d3i h PRO 598 N 2.64 0.26 0.00 3.54 0.11 -1.92 -0.07 132.00 136.55 2d3i h PRO 598 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2d3i h PRO 598 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2d3i h PRO 598 CO 0.63 0.17 0.00 0.93 -0.21 0.00 0.00 178.00 179.52 2d3i h GLU 599 N 0.26 0.00 0.00 1.05 3.07 -1.98 -2.73 114.58 114.25 2d3i h GLU 599 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2d3i h GLU 599 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2d3i h GLU 599 CO -0.58 0.00 -0.69 1.63 -1.40 0.00 0.00 179.01 177.98 2d3i n LYS 600 N -2.89 0.01 -0.19 2.33 4.76 -0.06 -4.44 118.16 117.68 2d3i n LYS 600 Ca -0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2d3i n LYS 600 Cb 0.21 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 31.97 2d3i n LYS 600 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2d3i h ALA 601 N 2.99 0.50 -0.05 7.82 0.00 -1.33 -0.71 119.26 128.48 2d3i h ALA 601 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2d3i h ALA 601 Cb 0.51 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2d3i h ALA 601 CO 0.00 -0.41 -0.23 -0.97 0.00 0.00 0.00 179.25 177.64 2d3i h ASN 602 N 0.06 -0.68 -0.26 0.00 -0.73 -1.80 -0.70 115.58 111.47 2d3i h ASN 602 Ca 0.29 0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.52 2d3i h ASN 602 Cb 0.47 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 2d3i h ASN 602 CO -0.54 -0.29 -0.04 0.50 -0.37 0.00 0.00 177.43 176.69 2d3i h LYS 603 N -0.33 0.48 -0.70 6.67 3.64 -1.73 -2.90 116.57 121.70 2d3i h LYS 603 Ca 0.08 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2d3i h LYS 603 Cb 0.44 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2d3i h LYS 603 CO -0.24 0.68 0.26 0.82 -2.27 0.00 0.00 179.45 178.70 2d3i h ILE 604 N 0.24 1.24 -0.36 2.00 5.03 -0.98 -0.64 117.51 124.04 2d3i h ILE 604 Ca 0.07 -0.78 -0.03 0.00 -0.12 0.00 0.00 64.86 64.00 2d3i h ILE 604 Cb 0.49 0.42 -0.01 0.00 -3.03 0.00 0.00 36.82 34.68 2d3i h ILE 604 CO 0.02 0.31 0.10 0.03 -0.68 0.00 0.00 178.15 177.93 2d3i h ARG 605 N 1.01 0.56 0.12 2.37 3.08 -1.14 0.01 114.38 120.39 2d3i h ARG 605 Ca 0.23 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2d3i h ARG 605 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2d3i h ARG 605 CO -0.02 0.60 -0.06 -0.44 -1.07 0.00 0.00 179.97 178.99 2d3i h ASP 606 N 0.42 -0.13 -0.10 7.04 3.45 -1.28 0.30 116.42 126.12 2d3i h ASP 606 Ca 0.11 -0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 2d3i h ASP 606 Cb 0.28 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 2d3i h ASP 606 CO -0.00 -0.00 -0.15 -0.07 -1.57 0.00 0.00 179.24 177.45 2d3i h LEU 607 N -0.25 0.46 -0.50 1.55 -0.00 -1.11 -2.20 115.31 113.26 2d3i h LEU 607 Ca -0.02 -0.12 -0.16 0.00 -0.00 0.00 0.00 57.88 57.58 2d3i h LEU 607 Cb 0.21 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 2d3i h LEU 607 CO 0.03 0.63 -0.74 0.25 -0.00 0.00 0.00 178.44 178.61 2d3i h LEU 608 N 0.43 0.15 -0.48 1.67 5.85 -0.87 -2.54 115.31 119.52 2d3i h LEU 608 Ca 0.08 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 2d3i h LEU 608 Cb 0.52 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2d3i h LEU 608 CO 0.03 0.83 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.72 2d3i h GLU 609 N 0.08 0.97 -0.17 1.25 4.81 -0.55 -2.13 114.58 118.84 2d3i h GLU 609 Ca -0.02 -0.40 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 2d3i h GLU 609 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2d3i h GLU 609 CO 0.11 1.07 -0.41 0.00 -0.73 0.00 0.00 179.01 179.04 2d3i h ARG 610 N 0.82 0.39 -0.36 1.92 3.08 -1.36 -2.91 114.38 115.96 2d3i h ARG 610 Ca 0.12 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2d3i h ARG 610 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2d3i h ARG 610 CO 0.06 0.74 0.02 1.96 -1.07 0.00 0.00 179.97 181.67 2d3i h GLN 611 N 0.33 0.63 0.00 0.04 1.08 -1.27 -2.83 115.11 113.09 2d3i h GLN 611 Ca 0.03 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.01 2d3i h GLN 611 Cb 0.86 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2d3i h GLN 611 CO 0.07 0.73 -0.14 1.49 -0.95 0.00 0.00 178.83 180.03 2d3i h GLU 612 N 0.45 0.00 0.00 1.46 4.81 -1.32 0.18 114.58 120.17 2d3i h GLU 612 Ca 0.11 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2d3i h GLU 612 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2d3i h GLU 612 CO 0.02 0.14 -0.50 0.87 -0.73 0.00 0.00 179.01 178.81 2d3i h LYS 613 N 0.00 0.00 0.05 1.92 1.57 -1.30 0.40 116.57 119.21 2d3i h LYS 613 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2d3i h LYS 613 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2d3i h LYS 613 CO 0.02 0.50 -1.94 0.54 -0.57 0.00 0.00 179.45 177.99 2d3i n ARG 614 N -3.94 0.69 -0.40 3.15 1.74 -0.54 -1.61 116.66 115.75 2d3i n ARG 614 Ca -0.01 0.25 0.06 0.00 -0.77 0.00 0.00 57.85 57.38 2d3i n ARG 614 Cb 0.51 -1.72 0.11 0.00 -1.02 0.00 0.00 32.46 30.35 2d3i n ARG 614 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2d3i n PHE 615 N -3.22 0.00 -1.21 -1.55 3.72 0.54 -0.81 117.46 114.93 2d3i n PHE 615 Ca -0.27 -0.83 -0.08 0.00 -0.05 0.00 0.00 57.45 56.23 2d3i n PHE 615 Cb 1.05 -0.15 0.06 0.00 -0.94 0.00 0.00 39.48 39.51 2d3i n PHE 615 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d3i n GLY 616 N -0.88 -1.33 0.31 1.37 0.00 0.13 -1.38 105.19 103.41 2d3i n GLY 616 Ca 0.12 -1.66 0.21 0.00 0.00 0.00 0.00 46.02 44.68 2d3i n GLY 616 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2d3i h VAL 617 N -1.26 0.00 0.00 1.61 -1.51 -1.85 -0.68 116.25 112.57 2d3i h VAL 617 Ca -0.12 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 2d3i h VAL 617 Cb 0.33 1.10 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 2d3i h VAL 617 CO 0.08 0.00 -0.34 -3.20 -1.23 0.00 0.00 177.57 172.88 2d3i n ASN 618 N -3.02 1.67 -4.64 4.19 2.85 -1.26 -5.03 115.26 110.01 2d3i n ASN 618 Ca -0.02 -3.08 -0.40 0.00 -0.11 0.00 0.00 54.58 50.97 2d3i n ASN 618 Cb 0.13 -0.42 0.03 0.00 1.24 0.00 0.00 39.78 40.76 2d3i n ASN 618 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d3i n GLY 619 N -0.93 -0.04 0.13 8.20 0.00 -0.26 -4.85 105.19 107.44 2d3i n GLY 619 Ca 0.14 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2d3i n GLY 619 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d3i n SER 620 N -0.07 0.58 -2.00 1.61 3.41 -0.63 -2.39 113.62 114.13 2d3i n SER 620 Ca 0.10 0.68 -0.01 0.00 -0.26 0.00 0.00 58.87 59.38 2d3i n SER 620 Cb 0.42 -0.79 0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2d3i n SER 620 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2d3i n GLU 621 N -2.19 1.40 0.23 4.33 1.02 0.01 -4.87 120.64 120.58 2d3i n GLU 621 Ca 0.01 -3.07 0.16 0.00 -0.02 0.00 0.00 57.16 54.23 2d3i n GLU 621 Cb 0.16 -1.17 0.80 0.00 -0.02 0.00 0.00 31.44 31.22 2d3i n GLU 621 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2d3i h LYS 622 N 1.82 0.00 0.00 3.49 2.10 -1.37 -0.82 116.57 121.79 2d3i h LYS 622 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2d3i h LYS 622 Cb 1.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2d3i h LYS 622 CO 0.21 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.32 2d3i h SER 623 N 0.00 0.00 0.37 7.07 4.64 -1.89 -3.17 113.55 120.56 2d3i h SER 623 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 2d3i h SER 623 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 2d3i h SER 623 CO 0.00 0.00 -1.79 0.11 -0.87 0.00 0.00 176.83 174.28 2d3i h LYS 624 N 0.00 0.11 -1.49 4.77 1.57 -1.53 -3.48 116.57 116.51 2d3i h LYS 624 Ca 0.00 -0.18 0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2d3i h LYS 624 Cb 0.70 0.07 -0.26 0.00 0.08 0.00 0.00 32.23 32.82 2d3i h LYS 624 CO 0.00 0.78 0.57 0.12 -0.57 0.00 0.00 179.45 180.35 2d3i s PHE 625 N -2.59 -0.36 -0.21 -1.35 5.36 -1.19 -5.04 117.98 112.60 2d3i s PHE 625 Ca -0.11 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 2d3i s PHE 625 Cb 0.07 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.22 2d3i s PHE 625 CO 0.81 -0.24 -0.07 -1.64 -1.46 0.00 0.00 175.22 172.62 2d3i s MET 626 N -0.39 1.68 0.28 10.12 -1.94 -1.26 -4.30 119.30 123.49 2d3i s MET 626 Ca 0.02 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 2d3i s MET 626 Cb -0.03 -2.39 0.56 0.00 2.01 0.00 0.00 34.83 34.98 2d3i s MET 626 CO -0.04 -0.51 1.83 0.52 -0.01 0.00 0.00 175.02 176.81 2d3i h MET 627 N 8.01 0.96 -0.86 2.03 2.86 -1.54 -2.92 114.93 123.47 2d3i h MET 627 Ca -0.22 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.08 2d3i h MET 627 Cb 1.09 -0.22 -0.17 0.00 0.06 0.00 0.00 31.60 32.37 2d3i h MET 627 CO 0.43 0.64 0.36 1.19 1.06 0.00 0.00 176.91 180.58 2d3i n PHE 628 N -4.62 2.37 -4.24 -0.22 3.72 -1.26 -4.62 117.46 108.59 2d3i n PHE 628 Ca 0.19 -1.28 -0.18 0.00 -0.05 0.00 0.00 57.45 56.13 2d3i n PHE 628 Cb 0.36 -0.71 -0.13 0.00 -0.94 0.00 0.00 39.48 38.06 2d3i n PHE 628 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d3i s GLU 629 N -2.76 0.76 0.18 -1.08 2.02 -1.11 -4.39 118.70 112.33 2d3i s GLU 629 Ca 0.49 -0.72 -0.24 0.00 0.02 0.00 0.00 54.97 54.52 2d3i s GLU 629 Cb 0.40 -0.71 0.05 0.00 0.10 0.00 0.00 34.13 33.97 2d3i s GLU 629 CO 0.11 0.17 0.80 -1.54 0.02 0.00 0.00 175.26 174.83 2d3i s SER 630 N -1.21 -0.30 -0.81 -0.19 1.04 -1.26 -4.88 113.70 106.09 2d3i s SER 630 Ca -0.02 -0.36 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 2d3i s SER 630 Cb -0.08 0.58 -0.15 0.00 0.10 0.00 0.00 66.02 66.47 2d3i s SER 630 CO 0.01 -1.04 1.92 0.00 0.98 0.00 0.00 173.24 175.11 2d3i n GLN 631 N -0.42 1.51 -3.44 4.02 1.13 -1.26 -4.28 117.38 114.65 2d3i n GLN 631 Ca -0.07 -1.91 -0.25 0.00 -1.94 0.00 0.00 57.00 52.82 2d3i n GLN 631 Cb 0.61 -3.01 0.01 0.00 0.11 0.00 0.00 30.24 27.96 2d3i n GLN 631 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2d3i n ASN 632 N 8.26 -4.25 -0.12 1.08 3.02 -1.26 -4.85 115.26 117.15 2d3i n ASN 632 Ca 0.49 -0.46 0.01 0.00 -0.03 0.00 0.00 54.58 54.59 2d3i n ASN 632 Cb 0.41 -3.47 0.02 0.00 -0.61 0.00 0.00 39.78 36.13 2d3i n ASN 632 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d3i n LYS 633 N -3.95 0.93 -4.20 3.52 5.02 -1.26 -4.77 118.16 113.45 2d3i n LYS 633 Ca -0.02 -1.16 -0.30 0.00 -2.02 0.00 0.00 58.31 54.81 2d3i n LYS 633 Cb 0.55 -0.77 -0.07 0.00 -0.02 0.00 0.00 35.03 34.72 2d3i n LYS 633 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2d3i n ASP 634 N -0.33 0.12 -4.68 4.39 8.00 -1.26 -4.84 116.55 117.94 2d3i n ASP 634 Ca 0.02 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 2d3i n ASP 634 Cb 0.50 -2.18 -0.03 0.00 -0.02 0.00 0.00 41.12 39.40 2d3i n ASP 634 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2d3i s LEU 635 N -7.22 4.26 0.00 0.64 1.43 -1.26 -3.90 118.68 112.63 2d3i s LEU 635 Ca 0.09 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2d3i s LEU 635 Cb -0.05 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2d3i s LEU 635 CO 0.96 -0.68 0.00 0.18 0.23 0.00 0.00 176.35 177.04 2d3i n LEU 636 N 5.69 0.00 -4.03 1.79 4.32 -1.26 -4.76 117.00 118.75 2d3i n LEU 636 Ca 0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.04 2d3i n LEU 636 Cb 0.45 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.15 2d3i n LEU 636 CO 0.56 0.00 -0.31 -0.36 -1.22 0.00 0.00 177.39 176.06 2d3i s PHE 637 N 0.00 0.41 0.38 -1.77 0.08 -1.25 -4.39 117.98 111.44 2d3i s PHE 637 Ca 0.00 -0.89 -0.26 0.00 0.12 0.00 0.00 56.93 55.90 2d3i s PHE 637 Cb 0.00 -0.30 -0.09 0.00 -0.57 0.00 0.00 43.02 42.06 2d3i s PHE 637 CO 0.00 -0.38 1.24 0.15 -0.10 0.00 0.00 175.22 176.13 2d3i s LYS 638 N -3.50 4.11 0.55 0.44 1.02 -1.26 -4.43 119.74 116.67 2d3i s LYS 638 Ca 0.03 2.02 0.32 0.00 0.02 0.00 0.00 55.97 58.35 2d3i s LYS 638 Cb 0.05 -2.80 1.59 0.00 -0.52 0.00 0.00 37.83 36.14 2d3i s LYS 638 CO -0.09 -0.33 2.10 -0.44 -0.92 0.00 0.00 175.35 175.67 2d3i h ASP 639 N 2.85 0.00 1.08 2.83 3.45 -1.88 -2.18 116.42 122.57 2d3i h ASP 639 Ca -0.49 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 56.93 2d3i h ASP 639 Cb 1.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 2d3i h ASP 639 CO 0.63 0.08 -0.18 0.25 -1.57 0.00 0.00 179.24 178.44 2d3i h LEU 640 N 0.00 0.00 -9.33 1.55 6.46 -1.90 -3.45 115.31 108.63 2d3i h LEU 640 Ca -0.00 0.00 -0.65 0.00 -0.12 0.00 0.00 57.88 57.11 2d3i h LEU 640 Cb 0.34 0.00 0.05 0.00 -0.73 0.00 0.00 40.66 40.31 2d3i h LEU 640 CO 0.01 0.18 0.69 0.41 -0.62 0.00 0.00 178.44 179.11 2d3i n THR 641 N -3.29 0.10 -0.02 1.05 -1.04 -0.82 -4.65 114.28 105.60 2d3i n THR 641 Ca 0.01 -0.02 0.05 0.00 -2.04 0.00 0.00 64.05 62.05 2d3i n THR 641 Cb 0.44 -1.21 -0.13 0.00 -1.82 0.00 0.00 70.33 67.61 2d3i n THR 641 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2d3i n LYS 642 N 3.59 0.70 0.00 -2.82 4.76 0.07 -4.86 118.16 119.61 2d3i n LYS 642 Ca 0.19 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2d3i n LYS 642 Cb 0.22 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2d3i n LYS 642 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2d3i s LEU 644 N 0.00 4.03 0.01 0.00 1.02 -1.26 -1.27 118.68 121.21 2d3i s LEU 644 Ca 0.00 0.25 0.04 0.00 0.02 0.00 0.00 54.13 54.45 2d3i s LEU 644 Cb 0.00 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 2d3i s LEU 644 CO 0.00 0.30 -0.10 0.72 0.02 0.00 0.00 176.35 177.28 2d3i s PHE 645 N -0.37 2.78 0.14 0.29 -0.12 0.02 -4.87 117.98 115.86 2d3i s PHE 645 Ca 0.10 -0.11 -0.31 0.00 -0.05 0.00 0.00 56.93 56.57 2d3i s PHE 645 Cb -0.12 -1.57 -0.08 0.00 -0.63 0.00 0.00 43.02 40.63 2d3i s PHE 645 CO 0.02 0.33 1.32 0.15 -0.05 0.00 0.00 175.22 176.98 2d3i s LYS 646 N -1.40 4.38 -0.30 1.99 1.02 -1.26 -1.21 119.74 122.96 2d3i s LYS 646 Ca 0.16 2.01 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 2d3i s LYS 646 Cb -0.11 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2d3i s LYS 646 CO 0.07 -0.31 0.46 0.08 -0.92 0.00 0.00 175.35 174.73 2d3i s VAL 647 N 0.63 5.09 0.16 3.17 1.01 0.06 -4.91 120.40 125.61 2d3i s VAL 647 Ca 0.60 0.54 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 2d3i s VAL 647 Cb -0.35 -3.84 -0.18 0.00 0.00 0.00 0.00 36.38 32.01 2d3i s VAL 647 CO 0.34 -0.02 0.66 -1.14 0.00 0.00 0.00 175.10 174.94 2d3i n ARG 648 N 5.55 0.05 -1.71 2.72 0.63 -1.26 -4.78 116.66 117.85 2d3i n ARG 648 Ca -0.06 0.02 -0.43 0.00 -0.92 0.00 0.00 57.85 56.46 2d3i n ARG 648 Cb 0.50 -1.14 -0.02 0.00 0.45 0.00 0.00 32.46 32.24 2d3i n ARG 648 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2d3i n GLU 649 N 1.12 2.37 -0.54 -0.14 4.07 -1.26 -2.38 120.64 123.88 2d3i n GLU 649 Ca 0.18 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 2d3i n GLU 649 Cb 0.21 -2.56 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 2d3i n GLU 649 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2d3i n GLY 650 N 2.08 0.76 3.69 8.31 0.00 -1.26 -5.03 105.19 113.74 2d3i n GLY 650 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2d3i n GLY 650 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d3i s THR 651 N -2.97 3.82 0.71 2.61 2.01 -1.00 -5.01 115.64 115.81 2d3i s THR 651 Ca 0.00 1.22 -0.09 0.00 0.31 0.00 0.00 61.69 63.12 2d3i s THR 651 Cb 0.00 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.77 2d3i s THR 651 CO 0.00 0.01 1.06 0.42 -0.69 0.00 0.00 174.62 175.42 2d3i s THR 652 N 2.16 2.80 0.29 -0.82 -4.23 -1.26 -4.56 115.64 110.01 2d3i s THR 652 Ca 0.62 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2d3i s THR 652 Cb -0.30 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.45 2d3i s THR 652 CO 0.26 -0.26 1.80 0.10 -0.54 0.00 0.00 174.62 175.98 2d3i h TYR 653 N -0.65 0.73 -0.56 3.99 -0.00 -1.93 -1.66 116.97 116.89 2d3i h TYR 653 Ca -0.45 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.73 58.14 2d3i h TYR 653 Cb 1.29 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 37.79 2d3i h TYR 653 CO 0.40 0.69 0.17 -0.22 -0.00 0.00 0.00 178.16 179.20 2d3i h LYS 654 N 0.65 0.88 -0.62 0.10 3.64 -1.94 -0.51 116.57 118.78 2d3i h LYS 654 Ca 0.13 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2d3i h LYS 654 Cb 0.41 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2d3i h LYS 654 CO 0.02 0.81 0.11 0.93 -2.27 0.00 0.00 179.45 179.05 2d3i h GLU 655 N 0.79 0.99 -0.36 1.90 5.08 -1.84 -1.05 114.58 120.09 2d3i h GLU 655 Ca 0.18 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2d3i h GLU 655 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2d3i h GLU 655 CO -0.00 0.90 -0.15 0.35 -1.00 0.00 0.00 179.01 179.10 2d3i h PHE 656 N 0.93 0.85 0.00 4.33 3.57 -0.99 -3.20 116.94 122.44 2d3i h PHE 656 Ca 0.19 -0.21 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 2d3i h PHE 656 Cb 0.38 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2d3i h PHE 656 CO 0.03 0.93 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.44 2d3i h LEU 657 N 0.53 0.00 0.00 0.59 3.38 -0.98 -3.47 115.31 115.36 2d3i h LEU 657 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2d3i h LEU 657 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2d3i h LEU 657 CO 0.05 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.71 2d3i n GLY 658 N 0.66 0.23 0.27 0.83 0.00 -0.41 -4.33 105.19 102.44 2d3i n GLY 658 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.54 2d3i n GLY 658 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d3i h ASP 659 N 0.00 0.33 0.47 1.61 3.32 -1.90 -1.41 116.42 118.84 2d3i h ASP 659 Ca 0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2d3i h ASP 659 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2d3i h ASP 659 CO 0.00 0.36 -0.23 0.50 -1.72 0.00 0.00 179.24 178.15 2d3i h LYS 660 N 0.36 -0.61 -0.33 3.56 3.64 -1.95 -0.25 116.57 120.99 2d3i h LYS 660 Ca 0.09 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2d3i h LYS 660 Cb 0.17 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2d3i h LYS 660 CO -0.00 -0.38 -0.01 0.35 -2.27 0.00 0.00 179.45 177.13 2d3i h PHE 661 N -0.67 0.65 -0.74 1.91 3.57 -1.73 -2.75 116.94 117.19 2d3i h PHE 661 Ca -0.06 -0.12 0.12 0.00 3.53 0.00 0.00 57.97 61.44 2d3i h PHE 661 Cb 0.51 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 2d3i h PHE 661 CO -0.03 0.72 0.33 -0.92 -2.23 0.00 0.00 178.31 176.18 2d3i h TYR 662 N 0.40 0.58 -0.72 0.41 3.20 -1.20 -0.52 116.97 119.11 2d3i h TYR 662 Ca 0.09 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2d3i h TYR 662 Cb 0.47 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2d3i h TYR 662 CO 0.04 0.14 0.20 1.15 -1.64 0.00 0.00 178.16 178.05 2d3i h THR 663 N 0.52 1.26 0.85 1.81 2.02 -0.93 0.15 112.91 118.59 2d3i h THR 663 Ca 0.39 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 2d3i h THR 663 Cb 0.52 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2d3i h THR 663 CO -0.34 0.36 -0.41 0.58 0.37 0.00 0.00 175.52 176.08 2d3i h VAL 664 N 1.08 0.00 -0.31 3.16 2.07 -0.86 -2.73 116.25 118.67 2d3i h VAL 664 Ca 0.23 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2d3i h VAL 664 Cb 0.34 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2d3i h VAL 664 CO -0.00 0.00 0.04 -0.29 0.02 0.00 0.00 177.57 177.33 2d3i h ILE 665 N -1.28 1.17 -0.52 4.57 2.10 -1.17 -1.98 117.51 120.40 2d3i h ILE 665 Ca -0.12 -0.63 0.03 0.00 1.08 0.00 0.00 64.86 65.22 2d3i h ILE 665 Cb 0.88 0.90 -0.04 0.00 -1.09 0.00 0.00 36.82 37.46 2d3i h ILE 665 CO 0.19 0.22 0.30 0.28 -1.08 0.00 0.00 178.15 178.06 2d3i h SER 666 N 0.45 0.47 -0.13 2.19 0.02 -0.96 -1.60 113.55 114.00 2d3i h SER 666 Ca 0.10 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2d3i h SER 666 Cb 0.24 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2d3i h SER 666 CO 0.00 0.33 -0.09 0.28 -1.14 0.00 0.00 176.83 176.21 2d3i h SER 667 N 0.59 0.30 -0.76 3.07 0.02 -1.13 -3.24 113.55 112.40 2d3i h SER 667 Ca 0.22 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2d3i h SER 667 Cb 0.05 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2d3i h SER 667 CO -0.11 0.68 0.50 0.25 -1.14 0.00 0.00 176.83 177.01 2d3i h LEU 668 N -0.08 0.75 0.00 5.07 5.85 -1.23 -1.64 115.31 124.04 2d3i h LEU 668 Ca 0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2d3i h LEU 668 Cb 0.58 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2d3i h LEU 668 CO 0.02 0.50 0.00 0.29 -0.34 0.00 0.00 178.44 178.92 2d3i n LYS 669 N -4.47 0.21 0.16 1.25 4.76 -0.61 -1.21 118.16 118.26 2d3i n LYS 669 Ca 0.10 0.13 0.12 0.00 -2.87 0.00 0.00 58.31 55.80 2d3i n LYS 669 Cb 0.17 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.09 2d3i n LYS 669 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2d3i h THR 670 N 0.00 0.00 0.26 -0.18 1.35 -1.42 -3.19 112.91 109.73 2d3i h THR 670 Ca 0.00 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 2d3i h THR 670 Cb 0.07 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2d3i h THR 670 CO 0.00 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.15 2d3i n ASN 672 N -3.53 -1.35 -4.75 0.00 4.05 -1.26 -5.07 115.26 103.35 2d3i n ASN 672 Ca -0.04 -2.64 -0.41 0.00 0.45 0.00 0.00 54.58 51.94 2d3i n ASN 672 Cb 0.14 0.22 -0.02 0.00 1.23 0.00 0.00 39.78 41.34 2d3i n ASN 672 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2d3i s PRO 673 N 0.12 4.24 1.14 1.20 0.04 -1.21 -4.98 135.00 135.56 2d3i s PRO 673 Ca 0.32 2.35 -0.13 0.00 0.04 0.00 0.00 61.00 63.58 2d3i s PRO 673 Cb 0.07 -3.08 0.27 0.00 0.04 0.00 0.00 34.50 31.79 2d3i s PRO 673 CO -0.15 -0.43 1.04 -1.54 0.04 0.00 0.00 177.00 175.96 2d3i s SER 674 N 0.26 1.28 0.16 6.66 1.04 -1.26 -4.72 113.70 117.11 2d3i s SER 674 Ca 0.58 1.35 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 2d3i s SER 674 Cb -0.43 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 63.63 2d3i s SER 674 CO 0.46 -3.99 1.80 0.44 0.98 0.00 0.00 173.24 172.93 2d3i h ASP 675 N -2.48 0.41 -0.46 7.02 5.19 -1.99 -1.37 116.42 122.74 2d3i h ASP 675 Ca -0.60 -0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.73 2d3i h ASP 675 Cb 1.34 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 2d3i h ASP 675 CO 0.52 0.30 -0.00 -0.29 -3.12 0.00 0.00 179.24 176.65 2d3i h ILE 676 N 0.51 1.25 -0.42 0.35 2.10 -1.98 -0.22 117.51 119.10 2d3i h ILE 676 Ca 0.16 -1.06 -0.08 0.00 1.08 0.00 0.00 64.86 64.95 2d3i h ILE 676 Cb -0.01 0.86 -0.01 0.00 -1.09 0.00 0.00 36.82 36.56 2d3i h ILE 676 CO -0.06 0.38 -0.05 0.25 -1.08 0.00 0.00 178.15 177.59 2d3i h LEU 677 N 0.82 0.78 -0.59 2.19 5.85 -1.84 -0.48 115.31 122.04 2d3i h LEU 677 Ca 0.15 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.54 2d3i h LEU 677 Cb 0.49 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2d3i h LEU 677 CO 0.02 0.93 0.39 1.56 -0.34 0.00 0.00 178.44 181.00 2d3i h GLN 678 N 0.61 0.78 -0.13 1.25 4.20 -1.03 0.16 115.11 120.94 2d3i h GLN 678 Ca 0.11 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2d3i h GLN 678 Cb 0.56 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2d3i h GLN 678 CO 0.03 0.52 0.06 1.98 -0.67 0.00 0.00 178.83 180.75 2d3i h MET 679 N 0.80 0.14 0.00 1.46 4.05 -0.74 -1.08 114.93 119.55 2d3i h MET 679 Ca 0.22 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.52 2d3i h MET 679 Cb -0.09 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2d3i h MET 679 CO -0.05 0.09 -0.53 0.00 0.23 0.00 0.00 176.91 176.66 2d3i h SER 681 N 0.00 1.06 -0.51 0.00 0.02 -0.40 -1.06 113.55 112.66 2d3i h SER 681 Ca -0.01 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2d3i h SER 681 Cb 1.01 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 2d3i h SER 681 CO 0.07 1.12 0.28 0.15 -1.14 0.00 0.00 176.83 177.31 2d3i h PHE 682 N 0.97 0.51 0.00 3.45 3.57 -0.92 0.27 116.94 124.79 2d3i h PHE 682 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2d3i h PHE 682 Cb 0.60 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2d3i h PHE 682 CO 0.04 0.26 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.24 2d3i h LEU 683 N 0.54 0.00 0.00 0.59 4.07 -1.04 -1.02 115.31 118.45 2d3i h LEU 683 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2d3i h LEU 683 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2d3i h LEU 683 CO -0.13 0.08 -0.43 1.21 -1.08 0.00 0.00 178.44 178.09 2d3i n GLU 684 N -4.22 0.29 0.00 1.13 2.13 -0.24 -4.93 120.64 114.80 2d3i n GLU 684 Ca -0.03 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2d3i n GLU 684 Cb 0.16 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2d3i n GLU 684 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d3i n GLY 685 N 1.32 0.82 0.74 8.31 0.00 -0.08 -5.08 105.19 111.23 2d3i n GLY 685 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2d3i n GLY 685 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49