#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g0h s LYS 2 N 0.00 2.80 0.08 3.17 1.02 -1.26 -4.93 119.74 120.63 1g0h s LYS 2 Ca 0.00 0.77 -0.20 0.00 0.02 0.00 0.00 55.97 56.56 1g0h s LYS 2 Cb 0.00 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.23 1g0h s LYS 2 CO 0.00 -1.15 1.57 -1.49 -0.92 0.00 0.00 175.35 173.36 1g0h h TRP 3 N -0.75 0.35 -0.79 3.18 4.06 -2.03 -2.51 115.95 117.48 1g0h h TRP 3 Ca -0.45 -0.04 0.21 0.00 2.06 0.00 0.00 58.89 60.66 1g0h h TRP 3 Cb 1.23 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 29.25 1g0h h TRP 3 CO 0.57 0.45 0.55 0.38 -3.56 0.00 0.00 178.44 176.83 1g0h h ASP 4 N 0.15 0.15 1.85 -3.49 3.04 -1.98 0.36 116.42 116.50 1g0h h ASP 4 Ca 0.07 0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.87 1g0h h ASP 4 Cb 0.28 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1g0h h ASP 4 CO 0.00 0.06 -0.01 -0.33 -2.04 0.00 0.00 179.24 176.92 1g0h h GLU 5 N 0.15 0.00 0.05 4.15 5.08 -1.84 -1.50 114.58 120.67 1g0h h GLU 5 Ca 0.39 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.40 1g0h h GLU 5 Cb 1.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1g0h h GLU 5 CO -0.06 0.01 -1.95 -0.89 -1.00 0.00 0.00 179.01 175.12 1g0h n ILE 6 N -3.10 1.63 0.21 3.13 5.41 0.10 -2.95 119.36 123.79 1g0h n ILE 6 Ca 0.03 -0.43 -0.15 0.00 1.00 0.00 0.00 62.75 63.20 1g0h n ILE 6 Cb 0.50 -1.79 -0.07 0.00 -0.71 0.00 0.00 39.64 37.57 1g0h n ILE 6 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1g0h h GLY 7 N 0.39 -0.77 1.89 7.39 0.00 -0.87 -1.84 103.07 109.26 1g0h h GLY 7 Ca -0.47 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1g0h h GLY 7 CO -0.09 -0.28 0.04 0.50 0.00 0.00 0.00 176.54 176.70 1g0h h LYS 8 N -0.69 0.00 0.83 4.80 1.57 -1.45 0.71 116.57 122.34 1g0h h LYS 8 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1g0h h LYS 8 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1g0h h LYS 8 CO -0.06 0.00 -0.46 -0.91 -0.57 0.00 0.00 179.45 177.44 1g0h h ASN 9 N 0.00 -1.14 -0.47 0.86 -0.26 -1.27 -2.43 115.58 110.87 1g0h h ASN 9 Ca 0.03 0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.85 1g0h h ASN 9 Cb 0.11 0.32 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 1g0h h ASN 9 CO -0.00 -0.74 0.25 0.40 -1.06 0.00 0.00 177.43 176.28 1g0h h ILE 10 N -1.19 0.99 -0.27 2.81 2.04 -0.95 -2.65 117.51 118.28 1g0h h ILE 10 Ca -0.11 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1g0h h ILE 10 Cb 0.94 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1g0h h ILE 10 CO 0.14 0.09 -0.25 0.00 0.00 0.00 0.00 178.15 178.13 1g0h h ALA 11 N 1.24 -0.42 0.00 1.87 0.00 -0.85 0.68 119.26 121.77 1g0h h ALA 11 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1g0h h ALA 11 Cb 0.08 0.99 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1g0h h ALA 11 CO -0.13 -0.56 0.00 0.87 0.00 0.00 0.00 179.25 179.43 1g0h h LYS 12 N -0.12 0.00 0.07 0.00 1.57 -1.28 -1.02 116.57 115.79 1g0h h LYS 12 Ca 0.04 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.50 1g0h h LYS 12 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1g0h h LYS 12 CO -0.32 0.00 -1.79 1.49 -0.57 0.00 0.00 179.45 178.26 1g0h h GLU 13 N 0.00 0.15 -0.71 3.15 4.81 -0.92 -3.13 114.58 117.91 1g0h h GLU 13 Ca 0.00 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 1g0h h GLU 13 Cb 0.15 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1g0h h GLU 13 CO 0.00 0.88 0.22 0.82 -0.73 0.00 0.00 179.01 180.20 1g0h h ILE 14 N 0.04 1.26 0.17 2.32 2.04 -0.33 -3.06 117.51 119.94 1g0h h ILE 14 Ca -0.33 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1g0h h ILE 14 Cb 2.02 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1g0h h ILE 14 CO 0.10 0.35 -0.42 -0.08 0.00 0.00 0.00 178.15 178.10 1g0h h GLU 15 N 1.06 -0.63 -0.59 2.37 4.81 -1.28 -1.13 114.58 119.20 1g0h h GLU 15 Ca 0.23 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1g0h h GLU 15 Cb 0.31 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1g0h h GLU 15 CO -0.01 -0.42 0.39 1.57 -0.73 0.00 0.00 179.01 179.81 1g0h h LYS 16 N -0.66 0.63 0.00 1.92 5.09 -1.56 -2.35 116.57 119.65 1g0h h LYS 16 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 60.65 60.65 1g0h h LYS 16 Cb 0.63 -0.14 -0.00 0.00 0.10 0.00 0.00 32.23 32.82 1g0h h LYS 16 CO -0.19 0.42 -0.21 1.49 -2.09 0.00 0.00 179.45 178.87 1g0h h GLU 17 N 0.65 0.00 0.00 0.07 4.57 -1.38 -3.39 114.58 115.10 1g0h h GLU 17 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1g0h h GLU 17 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1g0h h GLU 17 CO -0.07 0.15 0.00 0.44 -1.18 0.00 0.00 179.01 178.35 1g0h n ILE 18 N -3.11 0.00 -0.22 2.32 -6.64 -0.45 -4.71 119.36 106.54 1g0h n ILE 18 Ca 0.03 -0.49 -0.09 0.00 -1.77 0.00 0.00 62.75 60.44 1g0h n ILE 18 Cb 0.59 1.00 0.03 0.00 -1.44 0.00 0.00 39.64 39.82 1g0h n ILE 18 CO 0.00 0.00 0.00 -0.07 -1.77 0.00 0.00 176.55 174.71 1g0h h LEU 19 N 0.00 1.05 -1.72 7.28 3.38 -1.63 -2.23 115.31 121.44 1g0h h LEU 19 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1g0h h LEU 19 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1g0h h LEU 19 CO 0.00 1.08 0.10 -0.65 0.09 0.00 0.00 178.44 179.06 1g0h h PRO 20 N 0.99 0.00 0.00 1.13 0.11 -1.84 0.43 132.00 132.81 1g0h h PRO 20 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1g0h h PRO 20 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1g0h h PRO 20 CO 0.02 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 178.33 1g0h n TYR 21 N -2.47 0.69 -1.51 0.65 4.01 -0.84 -4.76 117.16 112.94 1g0h n TYR 21 Ca -0.02 0.20 -0.45 0.00 -0.16 0.00 0.00 57.90 57.47 1g0h n TYR 21 Cb 0.14 -0.80 -0.06 0.00 -0.31 0.00 0.00 39.34 38.31 1g0h n TYR 21 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1g0h n PHE 22 N -2.10 1.59 -0.37 -0.72 -0.00 0.15 -1.49 117.46 114.52 1g0h n PHE 22 Ca 0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1g0h n PHE 22 Cb 0.42 -2.59 0.00 0.00 -0.00 0.00 0.00 39.48 37.30 1g0h n PHE 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1g0h n GLY 23 N 6.24 0.86 2.98 7.13 0.00 -0.86 -4.80 105.19 116.74 1g0h n GLY 23 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1g0h n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g0h n ARG 24 N -2.00 4.02 0.29 1.61 1.74 -0.56 -4.55 116.66 117.21 1g0h n ARG 24 Ca 0.00 -4.56 0.15 0.00 -0.77 0.00 0.00 57.85 52.67 1g0h n ARG 24 Cb 0.00 -2.48 0.87 0.00 -1.02 0.00 0.00 32.46 29.83 1g0h n ARG 24 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1g0h h LYS 25 N 5.46 0.00 -0.24 5.56 1.57 -1.82 -0.54 116.57 126.55 1g0h h LYS 25 Ca 0.20 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1g0h h LYS 25 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1g0h h LYS 25 CO 1.21 0.04 0.18 0.38 -0.57 0.00 0.00 179.45 180.69 1g0h h ASP 26 N 0.00 0.00 0.05 0.86 3.04 -1.94 -2.40 116.42 116.03 1g0h h ASP 26 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1g0h h ASP 26 Cb 0.13 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.42 1g0h h ASP 26 CO 0.01 0.00 -1.18 0.29 -2.04 0.00 0.00 179.24 176.32 1g0h n LYS 27 N -4.43 0.15 -4.01 4.15 5.02 -0.22 -4.98 118.16 113.83 1g0h n LYS 27 Ca 0.03 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1g0h n LYS 27 Cb 0.33 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 1g0h n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g0h s SER 28 N -3.36 6.06 -0.00 4.39 0.15 -0.91 -5.04 113.70 115.00 1g0h s SER 28 Ca 0.05 -0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.38 1g0h s SER 28 Cb 0.16 -1.71 0.08 0.00 -1.71 0.00 0.00 66.02 62.84 1g0h s SER 28 CO 0.87 -0.07 0.71 -0.72 1.20 0.00 0.00 173.24 175.23 1g0h s TYR 29 N -2.03 -0.56 0.44 3.44 -0.85 -1.26 -4.95 117.35 111.57 1g0h s TYR 29 Ca 0.34 0.77 -0.26 0.00 -0.52 0.00 0.00 57.07 57.40 1g0h s TYR 29 Cb -0.09 0.47 -0.09 0.00 0.38 0.00 0.00 41.96 42.63 1g0h s TYR 29 CO 0.28 -0.64 1.44 0.08 -1.52 0.00 0.00 175.55 175.19 1g0h s VAL 30 N -2.06 2.07 0.00 -3.49 1.01 -1.26 -1.66 120.40 115.01 1g0h s VAL 30 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1g0h s VAL 30 Cb -0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1g0h s VAL 30 CO 0.01 0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.45 1g0h n VAL 31 N -0.08 0.00 0.00 2.92 0.24 -0.02 -4.83 118.33 116.55 1g0h n VAL 31 Ca 0.04 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1g0h n VAL 31 Cb 0.41 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 1g0h n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g0h n GLY 32 N 0.46 -0.24 3.38 7.63 0.00 -1.14 -5.00 105.19 110.28 1g0h n GLY 32 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1g0h n GLY 32 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g0h s THR 33 N -2.00 2.79 0.64 2.61 -1.32 -1.26 0.59 115.64 117.69 1g0h s THR 33 Ca 0.00 -0.79 -0.15 0.00 -1.21 0.00 0.00 61.69 59.54 1g0h s THR 33 Cb 0.00 -2.11 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 1g0h s THR 33 CO 0.00 0.56 1.08 -0.55 -2.21 0.00 0.00 174.62 173.50 1g0h s SER 34 N -0.17 5.37 0.52 8.08 0.15 0.49 -4.81 113.70 123.34 1g0h s SER 34 Ca -0.01 1.88 0.27 0.00 0.70 0.00 0.00 55.95 58.79 1g0h s SER 34 Cb -0.14 -2.54 1.39 0.00 -1.71 0.00 0.00 66.02 63.03 1g0h s SER 34 CO 0.03 -1.45 1.93 -0.65 1.20 0.00 0.00 173.24 174.30 1g0h h PRO 35 N 0.06 0.06 -0.88 5.44 0.11 -1.88 0.33 132.00 135.25 1g0h h PRO 35 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1g0h h PRO 35 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1g0h h PRO 35 CO 0.55 0.04 0.00 0.45 -0.21 0.00 0.00 178.00 178.84 1g0h n SER 36 N -4.34 1.09 -3.97 -2.05 2.88 -1.26 -4.83 113.62 101.14 1g0h n SER 36 Ca 0.15 -1.32 -0.30 0.00 -1.33 0.00 0.00 58.87 56.08 1g0h n SER 36 Cb 0.78 -0.33 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1g0h n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g0h n GLY 37 N 0.33 -0.41 3.48 0.46 0.00 0.11 -4.98 105.19 104.18 1g0h n GLY 37 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1g0h n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g0h s ASP 38 N -3.63 3.63 -0.13 1.61 1.01 -1.13 -4.89 116.67 113.14 1g0h s ASP 38 Ca 0.48 -1.00 -0.18 0.00 0.71 0.00 0.00 52.55 52.57 1g0h s ASP 38 Cb -0.25 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 1g0h s ASP 38 CO 0.86 0.04 0.47 -1.61 0.21 0.00 0.00 175.17 175.14 1g0h s GLU 39 N -3.45 4.32 -0.20 8.23 2.02 -1.26 0.19 118.70 128.54 1g0h s GLU 39 Ca 0.29 0.42 -0.14 0.00 0.02 0.00 0.00 54.97 55.56 1g0h s GLU 39 Cb -0.05 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1g0h s GLU 39 CO 0.15 0.14 0.32 0.99 0.02 0.00 0.00 175.26 176.87 1g0h s THR 40 N 0.70 5.26 0.36 3.63 2.01 0.20 -4.83 115.64 122.97 1g0h s THR 40 Ca 0.25 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.86 1g0h s THR 40 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1g0h s THR 40 CO 0.10 0.30 0.44 -1.61 -0.69 0.00 0.00 174.62 173.16 1g0h s GLU 41 N 1.10 2.92 0.51 4.92 2.02 -1.26 -0.84 118.70 128.07 1g0h s GLU 41 Ca 0.16 -1.17 0.20 0.00 0.02 0.00 0.00 54.97 54.18 1g0h s GLU 41 Cb -0.14 -2.69 1.28 0.00 0.10 0.00 0.00 34.13 32.68 1g0h s GLU 41 CO 0.06 -0.02 2.04 0.97 0.02 0.00 0.00 175.26 178.33 1g0h h ILE 42 N 0.93 0.85 0.00 -1.63 6.09 -1.64 -0.67 117.51 121.44 1g0h h ILE 42 Ca -0.44 -0.03 -0.15 0.00 -1.37 0.00 0.00 64.86 62.87 1g0h h ILE 42 Cb 1.26 0.75 -0.02 0.00 0.47 0.00 0.00 36.82 39.28 1g0h h ILE 42 CO 0.53 0.02 -0.72 2.19 -3.07 0.00 0.00 178.15 177.09 1g0h h PHE 43 N 0.09 0.00 0.10 2.19 -5.15 -1.94 -2.44 116.94 109.79 1g0h h PHE 43 Ca 0.18 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.95 1g0h h PHE 43 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.78 1g0h h PHE 43 CO -0.00 0.72 -0.05 -0.44 -2.00 0.00 0.00 178.31 176.55 1g0h h ASP 44 N 0.00 -0.11 0.10 -0.68 3.32 -1.52 -2.23 116.42 115.30 1g0h h ASP 44 Ca -0.01 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1g0h h ASP 44 Cb 1.46 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.99 1g0h h ASP 44 CO 0.09 0.10 -0.50 0.50 -1.72 0.00 0.00 179.24 177.72 1g0h h LYS 45 N -0.32 -0.69 -0.94 3.56 1.63 -1.49 0.87 116.57 119.19 1g0h h LYS 45 Ca -0.01 0.05 0.21 0.00 -0.85 0.00 0.00 60.65 60.04 1g0h h LYS 45 Cb 0.27 0.16 -0.12 0.00 -0.60 0.00 0.00 32.23 31.94 1g0h h LYS 45 CO 0.02 -0.46 0.50 0.82 -3.45 0.00 0.00 179.45 176.89 1g0h h ILE 46 N -0.71 0.58 0.00 2.00 2.04 -1.47 -0.53 117.51 119.41 1g0h h ILE 46 Ca 0.01 -0.19 -0.18 0.00 1.00 0.00 0.00 64.86 65.50 1g0h h ILE 46 Cb 0.74 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1g0h h ILE 46 CO -0.29 0.10 -0.84 0.77 0.00 0.00 0.00 178.15 177.89 1g0h h SER 47 N 0.56 0.00 0.49 1.72 4.64 -0.72 -2.98 113.55 117.25 1g0h h SER 47 Ca 0.58 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.67 1g0h h SER 47 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1g0h h SER 47 CO -0.46 0.84 -1.00 -0.08 -0.87 0.00 0.00 176.83 175.26 1g0h h GLU 48 N 0.00 0.31 -0.25 4.77 4.81 0.45 -3.14 114.58 121.53 1g0h h GLU 48 Ca -0.01 -0.38 -0.16 0.00 -0.13 0.00 0.00 59.36 58.69 1g0h h GLU 48 Cb 1.56 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1g0h h GLU 48 CO 0.11 1.09 -0.48 -0.44 -0.73 0.00 0.00 179.01 178.56 1g0h h ASP 49 N 0.15 0.73 0.61 1.04 5.19 -1.19 0.74 116.42 123.69 1g0h h ASP 49 Ca -0.08 -0.36 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 1g0h h ASP 49 Cb 1.66 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.96 1g0h h ASP 49 CO 0.16 1.09 -0.39 0.40 -3.12 0.00 0.00 179.24 177.39 1g0h h ILE 50 N 0.53 0.21 -0.74 0.35 2.04 -1.60 0.88 117.51 119.17 1g0h h ILE 50 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.04 1g0h h ILE 50 Cb 1.04 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 37.22 1g0h h ILE 50 CO 0.10 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.48 1g0h h ALA 51 N -0.65 1.00 0.00 1.87 0.00 -1.48 0.77 119.26 120.78 1g0h h ALA 51 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1g0h h ALA 51 Cb 0.77 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1g0h h ALA 51 CO 0.07 -0.29 -0.14 -0.07 0.00 0.00 0.00 179.25 178.82 1g0h h LEU 52 N 0.33 0.00 -1.99 0.00 4.07 -0.36 -0.67 115.31 116.69 1g0h h LEU 52 Ca 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.36 1g0h h LEU 52 Cb 0.69 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1g0h h LEU 52 CO -0.47 0.14 -0.09 0.50 -1.08 0.00 0.00 178.44 177.44 1g0h h LYS 53 N 0.00 0.00 0.00 1.13 3.64 0.76 -2.88 116.57 119.22 1g0h h LYS 53 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1g0h h LYS 53 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1g0h h LYS 53 CO 0.02 0.09 -0.61 0.66 -2.27 0.00 0.00 179.45 177.34 1g0h n TYR 54 N -3.53 0.88 0.22 1.91 4.02 -0.92 -4.58 117.16 115.16 1g0h n TYR 54 Ca -0.02 0.38 0.10 0.00 -0.01 0.00 0.00 57.90 58.36 1g0h n TYR 54 Cb 0.22 -0.78 0.66 0.00 -0.02 0.00 0.00 39.34 39.43 1g0h n TYR 54 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1g0h h LEU 55 N -1.00 0.00 -1.01 7.72 3.38 -1.17 -2.03 115.31 121.21 1g0h h LEU 55 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1g0h h LEU 55 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1g0h h LEU 55 CO -0.02 0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.55 1g0h h LYS 56 N 0.00 0.64 0.00 1.13 1.57 -1.75 -1.31 116.57 116.84 1g0h h LYS 56 Ca 0.04 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1g0h h LYS 56 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1g0h h LYS 56 CO -0.00 0.71 0.19 0.77 -0.57 0.00 0.00 179.45 180.54 1g0h h SER 57 N 0.59 0.00 0.07 0.86 0.02 -1.62 -1.99 113.55 111.48 1g0h h SER 57 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1g0h h SER 57 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1g0h h SER 57 CO 0.03 0.00 -0.16 0.18 -1.14 0.00 0.00 176.83 175.74 1g0h n LEU 58 N -2.83 1.64 -2.93 5.07 4.77 -0.49 -4.94 117.00 117.29 1g0h n LEU 58 Ca -0.02 -0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 55.24 1g0h n LEU 58 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1g0h n LEU 58 CO 0.15 0.29 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.21 1g0h n ASN 59 N 0.04 -4.30 -1.58 -1.43 4.05 -0.75 -4.96 115.26 106.33 1g0h n ASN 59 Ca 0.14 -0.14 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1g0h n ASN 59 Cb 0.41 -3.57 0.00 0.00 1.23 0.00 0.00 39.78 37.84 1g0h n ASN 59 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1g0h n VAL 60 N -3.84 0.00 -3.49 3.44 0.24 -1.26 -4.62 118.33 108.79 1g0h n VAL 60 Ca -0.09 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 1g0h n VAL 60 Cb 0.59 -0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 32.15 1g0h n VAL 60 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1g0h s ASN 61 N -0.88 6.09 -0.08 -1.34 0.01 -0.34 -4.46 114.94 113.95 1g0h s ASN 61 Ca 0.00 -0.35 -0.14 0.00 -0.71 0.00 0.00 52.86 51.66 1g0h s ASN 61 Cb 0.00 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 1g0h s ASN 61 CO 0.00 -0.26 0.34 -0.63 -1.51 0.00 0.00 177.10 175.04 1g0h s ILE 62 N 1.81 5.20 -0.16 0.60 1.01 -1.17 0.34 121.20 128.84 1g0h s ILE 62 Ca 0.08 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1g0h s ILE 62 Cb -0.17 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.69 1g0h s ILE 62 CO 0.11 0.49 -0.00 -0.69 0.00 0.00 0.00 174.94 174.85 1g0h s VAL 63 N -0.36 0.71 0.27 2.92 1.01 0.49 -2.41 120.40 123.02 1g0h s VAL 63 Ca 0.20 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1g0h s VAL 63 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1g0h s VAL 63 CO 0.09 0.02 0.05 -0.94 0.00 0.00 0.00 175.10 174.31 1g0h s SER 64 N 1.80 1.76 0.00 3.32 1.04 -0.94 0.52 113.70 121.20 1g0h s SER 64 Ca 0.01 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1g0h s SER 64 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1g0h s SER 64 CO -0.07 -0.61 0.54 1.21 0.98 0.00 0.00 173.24 175.28 1g0h n GLU 65 N -0.51 0.00 -0.59 4.02 2.13 -1.23 -2.35 120.64 122.11 1g0h n GLU 65 Ca -0.03 0.10 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 1g0h n GLU 65 Cb 0.65 -1.04 -0.04 0.00 0.27 0.00 0.00 31.44 31.29 1g0h n GLU 65 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1g0h n GLU 66 N -0.67 1.18 0.00 5.31 4.71 -1.26 -3.40 120.64 126.50 1g0h n GLU 66 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 1g0h n GLU 66 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1g0h n GLU 66 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1g0h n LEU 67 N 1.73 0.00 0.00 -4.62 7.94 -1.25 -4.90 117.00 115.90 1g0h n LEU 67 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 1g0h n LEU 67 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1g0h n LEU 67 CO 0.03 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 1g0h n GLY 68 N 0.00 1.38 3.08 -3.96 0.00 -0.99 -4.74 105.19 99.96 1g0h n GLY 68 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 1g0h n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g0h s VAL 69 N 0.00 1.79 -0.44 1.61 1.01 -1.26 -2.21 120.40 120.90 1g0h s VAL 69 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1g0h s VAL 69 Cb 0.00 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1g0h s VAL 69 CO 0.00 0.50 0.35 -0.63 0.00 0.00 0.00 175.10 175.32 1g0h s ILE 70 N 1.22 5.24 -0.14 2.22 1.01 -1.01 -5.07 121.20 124.68 1g0h s ILE 70 Ca 0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1g0h s ILE 70 Cb -0.14 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1g0h s ILE 70 CO -0.08 -0.46 0.34 -0.62 0.00 0.00 0.00 174.94 174.12 1g0h s ASP 71 N 2.18 6.52 -0.00 3.58 -1.08 -1.26 -3.02 116.67 123.59 1g0h s ASP 71 Ca 0.05 0.61 0.00 0.00 -0.52 0.00 0.00 52.55 52.69 1g0h s ASP 71 Cb -0.22 -2.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1g0h s ASP 71 CO 0.08 0.10 0.79 0.59 0.52 0.00 0.00 175.17 177.25 1g0h n ASN 72 N 3.45 1.14 0.00 -0.34 3.02 -1.26 -5.00 115.26 116.26 1g0h n ASN 72 Ca -0.11 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1g0h n ASN 72 Cb 0.52 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1g0h n ASN 72 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1g0h n SER 73 N -0.30 0.00 -4.49 6.41 7.64 -1.26 -4.95 113.62 116.67 1g0h n SER 73 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 1g0h n SER 73 Cb 0.37 -0.20 0.13 0.00 -1.01 0.00 0.00 64.21 63.49 1g0h n SER 73 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1g0h n SER 74 N 0.00 -1.33 0.05 6.43 2.88 -1.26 -4.87 113.62 115.52 1g0h n SER 74 Ca 0.00 0.38 0.13 0.00 -1.33 0.00 0.00 58.87 58.05 1g0h n SER 74 Cb 0.00 -1.29 0.52 0.00 -0.75 0.00 0.00 64.21 62.69 1g0h n SER 74 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1g0h n GLU 75 N -2.32 0.11 -4.15 -1.46 1.02 -1.26 -4.82 120.64 107.76 1g0h n GLU 75 Ca 0.08 0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 57.00 1g0h n GLU 75 Cb 0.53 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 1g0h n GLU 75 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1g0h s TRP 76 N -3.05 3.29 -0.09 -0.32 0.52 -1.26 0.19 118.94 118.23 1g0h s TRP 76 Ca 0.12 0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.45 1g0h s TRP 76 Cb 0.16 -1.78 0.05 0.00 -1.15 0.00 0.00 33.47 30.74 1g0h s TRP 76 CO 0.54 0.56 0.18 0.99 0.02 0.00 0.00 176.95 179.23 1g0h s THR 77 N -1.08 -0.25 -0.26 2.01 2.01 -0.16 -1.20 115.64 116.70 1g0h s THR 77 Ca 0.19 0.32 -0.17 0.00 0.31 0.00 0.00 61.69 62.34 1g0h s THR 77 Cb -0.12 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1g0h s THR 77 CO 0.09 0.13 0.47 -0.69 -0.69 0.00 0.00 174.62 173.93 1g0h s VAL 78 N 2.14 5.11 -0.32 3.82 1.01 0.15 -0.57 120.40 131.73 1g0h s VAL 78 Ca 0.01 0.77 -0.11 0.00 0.00 0.00 0.00 61.98 62.65 1g0h s VAL 78 Cb -0.12 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1g0h s VAL 78 CO -0.06 0.11 0.18 0.68 0.00 0.00 0.00 175.10 176.01 1g0h s VAL 79 N 2.22 4.83 0.06 2.92 -7.23 0.77 0.18 120.40 124.15 1g0h s VAL 79 Ca 0.19 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 60.06 1g0h s VAL 79 Cb -0.16 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1g0h s VAL 79 CO 0.09 0.05 -0.13 0.27 -0.31 0.00 0.00 175.10 175.07 1g0h s ILE 80 N 1.65 0.98 -0.32 -0.62 -4.36 0.18 -0.47 121.20 118.25 1g0h s ILE 80 Ca 0.05 -1.19 -0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1g0h s ILE 80 Cb -0.17 -0.95 0.10 0.00 1.25 0.00 0.00 42.46 42.69 1g0h s ILE 80 CO 0.08 -0.21 0.10 -0.62 0.24 0.00 0.00 174.94 174.52 1g0h s ASP 81 N -1.57 4.09 0.55 4.36 3.68 0.42 -3.55 116.67 124.65 1g0h s ASP 81 Ca -0.03 -1.71 0.26 0.00 2.13 0.00 0.00 52.55 53.19 1g0h s ASP 81 Cb -0.09 -0.94 1.46 0.00 -1.45 0.00 0.00 42.92 41.90 1g0h s ASP 81 CO 0.02 -0.41 2.03 -0.65 0.13 0.00 0.00 175.17 176.29 1g0h h PRO 82 N 8.01 0.00 -2.47 4.34 0.11 -1.88 -1.17 132.00 138.94 1g0h h PRO 82 Ca -0.12 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.75 1g0h h PRO 82 Cb 1.01 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.79 1g0h h PRO 82 CO 0.48 0.00 -0.55 0.42 -0.21 0.00 0.00 178.00 178.14 1g0h s ILE 83 N -4.88 -0.44 -0.24 4.15 -1.09 -1.26 -4.12 121.20 113.33 1g0h s ILE 83 Ca -0.05 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 1g0h s ILE 83 Cb 0.18 -0.64 -0.05 0.00 -1.58 0.00 0.00 42.46 40.37 1g0h s ILE 83 CO 0.66 -0.07 0.19 -0.62 -1.23 0.00 0.00 174.94 173.87 1g0h s ASP 84 N 2.42 6.14 0.00 3.58 2.15 0.18 -4.44 116.67 126.70 1g0h s ASP 84 Ca 0.06 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1g0h s ASP 84 Cb -0.14 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1g0h s ASP 84 CO -0.12 0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1g0h n GLY 85 N 4.35 0.84 0.13 2.66 0.00 -1.26 -2.59 105.19 109.32 1g0h n GLY 85 Ca -0.14 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1g0h n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g0h h SER 86 N 0.00 0.16 -0.02 1.61 4.64 -1.88 -2.58 113.55 115.48 1g0h h SER 86 Ca 0.00 -0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1g0h h SER 86 Cb 0.64 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1g0h h SER 86 CO 0.00 0.87 -0.21 0.15 -0.87 0.00 0.00 176.83 176.77 1g0h h PHE 87 N 0.08 -0.56 -0.51 4.77 3.04 -1.95 0.21 116.94 122.03 1g0h h PHE 87 Ca -0.02 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.04 1g0h h PHE 87 Cb 1.36 0.25 -0.08 0.00 2.56 0.00 0.00 35.95 40.04 1g0h h PHE 87 CO 0.02 -0.30 0.04 -0.91 -2.02 0.00 0.00 178.31 175.15 1g0h h ASN 88 N -0.32 -0.13 0.30 0.41 4.21 -1.86 0.15 115.58 118.34 1g0h h ASN 88 Ca 0.07 0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 1g0h h ASN 88 Cb 0.41 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1g0h h ASN 88 CO -0.21 -0.04 -0.24 0.15 -1.29 0.00 0.00 177.43 175.80 1g0h h PHE 89 N 0.17 -0.67 -0.38 1.19 3.57 -0.75 0.29 116.94 120.35 1g0h h PHE 89 Ca 0.26 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.87 1g0h h PHE 89 Cb 0.38 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1g0h h PHE 89 CO -0.28 -0.34 0.29 0.97 -2.23 0.00 0.00 178.31 176.72 1g0h h ILE 90 N -0.53 0.75 -0.54 1.41 6.09 -0.53 -0.15 117.51 124.01 1g0h h ILE 90 Ca -0.04 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1g0h h ILE 90 Cb 0.44 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1g0h h ILE 90 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1g0h n ASN 91 N -4.34 3.60 -0.17 2.19 3.02 0.51 -3.71 115.26 116.36 1g0h n ASN 91 Ca 0.06 -2.22 -0.02 0.00 -0.03 0.00 0.00 54.58 52.37 1g0h n ASN 91 Cb 0.47 -0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1g0h n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g0h n GLY 92 N 1.14 0.50 3.68 7.41 0.00 -0.08 -4.84 105.19 112.99 1g0h n GLY 92 Ca 0.20 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1g0h n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g0h s ILE 93 N -1.79 4.88 -1.33 -0.61 1.01 0.83 -4.95 121.20 119.23 1g0h s ILE 93 Ca 0.00 1.74 -0.12 0.00 0.00 0.00 0.00 60.65 62.27 1g0h s ILE 93 Cb 0.00 -4.18 0.12 0.00 0.01 0.00 0.00 42.46 38.41 1g0h s ILE 93 CO 0.00 0.07 1.92 -0.81 0.00 0.00 0.00 174.94 176.12 1g0h n PRO 94 N 4.84 3.32 -3.10 2.79 -0.04 -1.26 -4.23 135.00 137.31 1g0h n PRO 94 Ca 0.05 -3.26 -0.07 0.00 -0.04 0.00 0.00 63.50 60.18 1g0h n PRO 94 Cb 0.49 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.83 1g0h n PRO 94 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1g0h s PHE 95 N 1.74 -1.17 0.23 0.54 0.08 -1.26 -5.00 117.98 113.14 1g0h s PHE 95 Ca 0.44 -0.48 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 1g0h s PHE 95 Cb 0.09 0.07 -0.01 0.00 -0.57 0.00 0.00 43.02 42.60 1g0h s PHE 95 CO -0.02 -1.14 0.40 -0.59 -0.10 0.00 0.00 175.22 173.76 1g0h s PHE 96 N 1.26 0.47 -0.05 0.36 -0.12 -1.26 -4.69 117.98 113.95 1g0h s PHE 96 Ca 0.23 -0.81 -0.29 0.00 -0.05 0.00 0.00 56.93 56.00 1g0h s PHE 96 Cb -0.04 0.04 0.10 0.00 -0.63 0.00 0.00 43.02 42.50 1g0h s PHE 96 CO -0.07 -0.90 0.86 0.00 -0.05 0.00 0.00 175.22 175.07 1g0h s ALA 97 N -4.03 -1.83 -0.12 1.99 0.00 -1.07 -3.97 121.76 112.74 1g0h s ALA 97 Ca 0.24 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.25 1g0h s ALA 97 Cb 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1g0h s ALA 97 CO 0.08 -0.51 0.43 0.12 0.00 0.00 0.00 175.76 175.88 1g0h s PHE 98 N -2.13 3.51 -0.22 0.00 5.36 -0.25 0.47 117.98 124.73 1g0h s PHE 98 Ca -0.01 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 56.81 1g0h s PHE 98 Cb -0.01 -2.48 0.04 0.00 -0.34 0.00 0.00 43.02 40.23 1g0h s PHE 98 CO -0.02 0.22 -0.15 0.00 -1.46 0.00 0.00 175.22 173.80 1g0h s PHE 100 N 1.21 1.17 -0.23 0.00 5.36 -0.35 -0.43 117.98 124.70 1g0h s PHE 100 Ca -0.02 -0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 54.96 1g0h s PHE 100 Cb -0.16 -1.10 0.02 0.00 -0.34 0.00 0.00 43.02 41.43 1g0h s PHE 100 CO -0.09 -0.64 -0.08 0.20 -1.46 0.00 0.00 175.22 173.15 1g0h s GLY 101 N 1.81 1.59 -0.23 13.12 0.00 0.38 -1.34 107.32 122.64 1g0h s GLY 101 Ca -0.01 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.17 1g0h s GLY 101 CO -0.09 0.47 0.35 0.14 0.00 0.00 0.00 173.10 173.98 1g0h s VAL 102 N 1.34 5.21 -0.07 1.40 1.01 0.11 -0.16 120.40 129.23 1g0h s VAL 102 Ca 0.01 0.58 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1g0h s VAL 102 Cb -0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1g0h s VAL 102 CO -0.06 0.23 -0.23 -0.36 0.00 0.00 0.00 175.10 174.68 1g0h s PHE 103 N 1.56 2.51 -0.60 5.22 0.40 0.26 -1.73 117.98 125.60 1g0h s PHE 103 Ca 0.16 -0.77 -0.05 0.00 -0.60 0.00 0.00 56.93 55.67 1g0h s PHE 103 Cb -0.15 -1.65 0.16 0.00 0.51 0.00 0.00 43.02 41.89 1g0h s PHE 103 CO 0.08 -0.24 0.44 0.21 0.70 0.00 0.00 175.22 176.40 1g0h s LYS 104 N -0.03 2.61 -0.39 0.44 2.20 -0.18 -0.99 119.74 123.40 1g0h s LYS 104 Ca -0.07 -2.30 -0.02 0.00 -0.36 0.00 0.00 55.97 53.21 1g0h s LYS 104 Cb -0.15 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1g0h s LYS 104 CO 0.05 -1.18 0.34 0.09 -0.36 0.00 0.00 175.35 174.29 1g0h n ASN 105 N 3.93 -3.09 -0.99 1.43 5.03 0.52 -3.24 115.26 118.85 1g0h n ASN 105 Ca 0.05 -0.16 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1g0h n ASN 105 Cb 0.40 -1.83 -0.06 0.00 -1.02 0.00 0.00 39.78 37.28 1g0h n ASN 105 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1g0h n ASN 106 N -0.10 -4.89 -4.49 6.41 4.13 -1.26 -5.00 115.26 110.06 1g0h n ASN 106 Ca -0.01 0.32 -0.32 0.00 1.68 0.00 0.00 54.58 56.25 1g0h n ASN 106 Cb 0.52 -3.53 -0.12 0.00 -1.54 0.00 0.00 39.78 35.11 1g0h n ASN 106 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1g0h s GLU 107 N -3.01 2.37 0.39 3.52 0.41 -1.20 -5.09 118.70 116.09 1g0h s GLU 107 Ca 0.00 -0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 53.49 1g0h s GLU 107 Cb 0.00 -2.34 -0.10 0.00 -1.78 0.00 0.00 34.13 29.91 1g0h s GLU 107 CO 0.00 0.59 1.43 -1.25 -0.49 0.00 0.00 175.26 175.55 1g0h s PRO 108 N -1.09 4.06 0.13 0.39 0.04 -1.26 -1.01 135.00 136.26 1g0h s PRO 108 Ca 0.14 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1g0h s PRO 108 Cb -0.11 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1g0h s PRO 108 CO 0.03 -0.53 0.00 0.98 0.04 0.00 0.00 177.00 177.53 1g0h n TYR 109 N 0.37 -0.71 -4.34 0.56 9.36 -0.71 -4.70 117.16 116.99 1g0h n TYR 109 Ca 0.02 0.13 -0.18 0.00 3.32 0.00 0.00 57.90 61.18 1g0h n TYR 109 Cb 0.40 0.20 -0.15 0.00 -0.63 0.00 0.00 39.34 39.17 1g0h n TYR 109 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1g0h s TYR 110 N -2.00 0.79 -0.04 2.98 6.14 -0.92 0.81 117.35 125.11 1g0h s TYR 110 Ca 0.00 -0.17 0.02 0.00 0.64 0.00 0.00 57.07 57.57 1g0h s TYR 110 Cb 0.00 -0.50 0.01 0.00 0.42 0.00 0.00 41.96 41.88 1g0h s TYR 110 CO 0.00 -0.01 -0.11 0.20 0.64 0.00 0.00 175.55 176.27 1g0h s GLY 111 N -0.29 0.66 -0.02 8.97 0.00 -0.94 0.06 107.32 115.77 1g0h s GLY 111 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 44.72 44.38 1g0h s GLY 111 CO -0.00 0.01 0.04 -2.27 0.00 0.00 0.00 173.10 170.88 1g0h s LEU 112 N 0.42 1.15 -0.19 0.66 2.96 -0.45 -2.19 118.68 121.04 1g0h s LEU 112 Ca -0.08 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1g0h s LEU 112 Cb -0.12 -0.02 0.05 0.00 0.50 0.00 0.00 46.19 46.60 1g0h s LEU 112 CO 0.02 -0.12 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.01 1g0h s THR 113 N 0.95 1.07 -0.25 3.68 2.01 0.21 -1.21 115.64 122.11 1g0h s THR 113 Ca -0.08 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1g0h s THR 113 Cb -0.11 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1g0h s THR 113 CO -0.03 -0.03 0.15 -0.47 -0.69 0.00 0.00 174.62 173.55 1g0h s TYR 114 N 1.62 3.25 -0.68 4.92 6.04 -0.70 -1.53 117.35 130.28 1g0h s TYR 114 Ca -0.02 0.10 -0.13 0.00 0.04 0.00 0.00 57.07 57.06 1g0h s TYR 114 Cb -0.17 -2.28 0.17 0.00 -1.04 0.00 0.00 41.96 38.64 1g0h s TYR 114 CO -0.07 -0.05 0.60 -2.00 -1.54 0.00 0.00 175.55 172.49 1g0h s GLU 115 N 1.29 3.17 0.17 4.97 2.12 -0.63 -1.09 118.70 128.70 1g0h s GLU 115 Ca 0.07 -2.15 -0.25 0.00 0.36 0.00 0.00 54.97 52.99 1g0h s GLU 115 Cb -0.14 -4.26 0.04 0.00 0.26 0.00 0.00 34.13 30.03 1g0h s GLU 115 CO 0.06 -1.28 1.57 0.74 -0.54 0.00 0.00 175.26 175.81 1g0h h PHE 116 N 8.13 -1.30 0.00 5.30 -1.00 -1.87 -2.29 116.94 123.91 1g0h h PHE 116 Ca -0.07 0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1g0h h PHE 116 Cb 1.05 0.66 -0.00 0.00 3.61 0.00 0.00 35.95 41.27 1g0h h PHE 116 CO 0.86 -0.42 -0.01 -0.07 -1.61 0.00 0.00 178.31 177.06 1g0h h LEU 117 N -0.20 0.00 -2.95 1.54 3.38 -1.93 -2.11 115.31 113.03 1g0h h LEU 117 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1g0h h LEU 117 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1g0h h LEU 117 CO -0.72 0.01 0.00 1.07 0.09 0.00 0.00 178.44 178.90 1g0h n THR 118 N -3.16 1.07 -4.14 0.22 5.66 -0.91 -5.00 114.28 108.03 1g0h n THR 118 Ca -0.01 -1.07 -0.44 0.00 -3.05 0.00 0.00 64.05 59.47 1g0h n THR 118 Cb 0.19 0.45 -0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1g0h n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1g0h n LYS 119 N -0.05 -0.36 -4.10 1.09 4.76 -0.79 -4.96 118.16 113.75 1g0h n LYS 119 Ca 0.07 0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.25 1g0h n LYS 119 Cb 0.37 -2.70 -0.16 0.00 -1.84 0.00 0.00 35.03 30.71 1g0h n LYS 119 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1g0h s SER 120 N -3.71 3.63 -0.34 4.39 0.01 -1.12 -5.00 113.70 111.56 1g0h s SER 120 Ca 0.40 -0.92 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 1g0h s SER 120 Cb -0.22 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 1g0h s SER 120 CO 0.98 -0.07 0.47 -0.36 0.41 0.00 0.00 173.24 174.67 1g0h s PHE 121 N 1.22 3.20 -0.31 2.43 0.40 -1.26 -1.60 117.98 122.06 1g0h s PHE 121 Ca -0.00 0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 1g0h s PHE 121 Cb -0.16 -2.83 -0.02 0.00 0.51 0.00 0.00 43.02 40.52 1g0h s PHE 121 CO -0.10 -0.48 0.18 0.71 0.70 0.00 0.00 175.22 176.24 1g0h s TYR 122 N 2.28 3.19 0.14 0.36 1.51 -0.58 -0.94 117.35 123.31 1g0h s TYR 122 Ca 0.17 -0.32 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1g0h s TYR 122 Cb -0.16 -2.39 -0.01 0.00 -0.11 0.00 0.00 41.96 39.29 1g0h s TYR 122 CO 0.12 -0.36 0.21 -1.83 -1.11 0.00 0.00 175.55 172.58 1g0h s GLU 123 N 1.68 1.02 -0.29 -0.62 -1.05 -0.41 -0.61 118.70 118.41 1g0h s GLU 123 Ca 0.06 -1.18 -0.13 0.00 -0.15 0.00 0.00 54.97 53.57 1g0h s GLU 123 Cb -0.17 0.34 0.13 0.00 -0.44 0.00 0.00 34.13 33.99 1g0h s GLU 123 CO 0.08 -0.35 0.74 0.00 0.95 0.00 0.00 175.26 176.69 1g0h s ALA 124 N -3.96 -2.14 0.27 -0.84 0.00 -0.93 -0.45 121.76 113.70 1g0h s ALA 124 Ca 0.15 2.30 -0.26 0.00 0.00 0.00 0.00 51.96 54.16 1g0h s ALA 124 Cb 0.05 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 1g0h s ALA 124 CO -0.03 -0.77 0.88 0.71 0.00 0.00 0.00 175.76 176.55 1g0h s TYR 125 N 2.43 3.77 -0.13 0.00 2.02 -1.26 -2.21 117.35 121.98 1g0h s TYR 125 Ca -0.07 1.72 -0.35 0.00 -0.37 0.00 0.00 57.07 58.00 1g0h s TYR 125 Cb -0.09 -2.86 -0.12 0.00 -0.40 0.00 0.00 41.96 38.50 1g0h s TYR 125 CO -0.19 0.33 1.89 1.17 -1.57 0.00 0.00 175.55 177.18 1g0h n LYS 126 N 0.92 2.02 -0.21 -0.62 3.00 0.24 -0.81 118.16 122.70 1g0h n LYS 126 Ca -0.01 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 1g0h n LYS 126 Cb 0.49 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.94 1g0h n LYS 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g0h n GLY 127 N 4.49 1.22 0.27 3.14 0.00 -1.26 -4.90 105.19 108.15 1g0h n GLY 127 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1g0h n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g0h n LYS 128 N -2.00 0.91 0.00 1.61 5.02 0.01 -5.10 118.16 118.61 1g0h n LYS 128 Ca 0.00 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 1g0h n LYS 128 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1g0h n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g0h n GLY 129 N 1.41 1.77 3.47 0.72 0.00 -1.25 -4.87 105.19 106.45 1g0h n GLY 129 Ca 0.07 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1g0h n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g0h s ALA 130 N -2.30 2.82 0.20 4.61 0.00 -1.23 -4.06 121.76 121.79 1g0h s ALA 130 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.18 1g0h s ALA 130 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1g0h s ALA 130 CO 0.00 0.36 -0.20 0.71 0.00 0.00 0.00 175.76 176.63 1g0h s TYR 131 N -0.07 2.04 -0.31 0.00 1.51 0.40 -0.13 117.35 120.78 1g0h s TYR 131 Ca -0.00 -0.42 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1g0h s TYR 131 Cb -0.14 -0.98 0.10 0.00 -0.11 0.00 0.00 41.96 40.84 1g0h s TYR 131 CO 0.03 0.45 0.12 -1.17 -1.11 0.00 0.00 175.55 173.87 1g0h s LEU 132 N -2.88 1.69 -1.29 -1.29 0.20 -0.03 -1.29 118.68 113.79 1g0h s LEU 132 Ca 0.20 -1.59 -0.09 0.00 0.69 0.00 0.00 54.13 53.34 1g0h s LEU 132 Cb -0.06 -0.70 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 1g0h s LEU 132 CO 0.09 -0.41 0.60 0.59 -0.29 0.00 0.00 176.35 176.93 1g0h n ASN 133 N 4.89 -2.39 0.00 3.68 3.02 -0.12 -2.60 115.26 121.74 1g0h n ASN 133 Ca -0.02 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1g0h n ASN 133 Cb 0.42 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1g0h n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g0h n GLY 134 N -1.82 0.89 3.49 7.41 0.00 -1.26 -5.04 105.19 108.86 1g0h n GLY 134 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1g0h n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g0h s ARG 135 N -0.07 2.76 0.63 1.61 0.52 -1.07 -5.04 118.95 118.29 1g0h s ARG 135 Ca 0.00 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.38 1g0h s ARG 135 Cb 0.00 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1g0h s ARG 135 CO 0.00 0.56 1.30 0.15 0.02 0.00 0.00 175.30 177.33 1g0h s LYS 136 N -0.55 2.62 0.03 3.54 1.02 -1.26 -0.85 119.74 124.30 1g0h s LYS 136 Ca 0.08 2.09 0.02 0.00 0.02 0.00 0.00 55.97 58.18 1g0h s LYS 136 Cb -0.12 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.28 1g0h s LYS 136 CO 0.02 -1.55 -0.07 0.96 -0.92 0.00 0.00 175.35 173.79 1g0h s ILE 137 N -1.38 0.44 0.01 2.17 -4.36 0.81 -4.80 121.20 114.11 1g0h s ILE 137 Ca 0.81 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 1g0h s ILE 137 Cb -0.38 -0.50 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1g0h s ILE 137 CO 0.41 -0.32 -0.03 -0.75 0.24 0.00 0.00 174.94 174.50 1g0h s LYS 138 N -1.31 0.23 0.46 0.37 2.47 -1.22 -4.54 119.74 116.20 1g0h s LYS 138 Ca -0.09 -0.38 -0.24 0.00 -1.56 0.00 0.00 55.97 53.71 1g0h s LYS 138 Cb -0.09 0.00 -0.09 0.00 -1.46 0.00 0.00 37.83 36.20 1g0h s LYS 138 CO 0.00 -0.01 1.17 1.33 0.16 0.00 0.00 175.35 178.00 1g0h n VAL 139 N 2.20 2.81 -3.00 4.02 0.24 0.74 -3.54 118.33 121.80 1g0h n VAL 139 Ca -0.19 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.30 1g0h n VAL 139 Cb 0.57 -1.42 -0.05 0.00 -1.47 0.00 0.00 33.84 31.47 1g0h n VAL 139 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1g0h s LYS 140 N -2.30 3.92 0.41 7.34 -2.85 -1.26 -4.90 119.74 120.10 1g0h s LYS 140 Ca 0.65 0.61 -0.27 0.00 -1.00 0.00 0.00 55.97 55.96 1g0h s LYS 140 Cb -0.50 -2.40 -0.10 0.00 -2.06 0.00 0.00 37.83 32.77 1g0h s LYS 140 CO 0.55 0.07 1.46 -0.51 0.10 0.00 0.00 175.35 177.02 1g0h s ASP 141 N -2.63 6.17 0.08 0.03 1.01 -1.26 -4.91 116.67 115.16 1g0h s ASP 141 Ca 0.53 2.99 -0.30 0.00 0.71 0.00 0.00 52.55 56.48 1g0h s ASP 141 Cb -0.10 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.11 1g0h s ASP 141 CO 0.23 -0.99 1.10 0.12 0.21 0.00 0.00 175.17 175.84 1g0h s PHE 142 N -1.15 3.57 -0.17 4.23 2.19 -1.26 -5.02 117.98 120.37 1g0h s PHE 142 Ca 0.56 1.53 -0.03 0.00 0.33 0.00 0.00 56.93 59.32 1g0h s PHE 142 Cb -0.45 -3.27 0.06 0.00 -1.31 0.00 0.00 43.02 38.04 1g0h s PHE 142 CO 0.60 -0.64 0.05 1.21 1.83 0.00 0.00 175.22 178.27 1g0h s ASN 143 N 0.61 2.56 0.00 6.13 3.84 -1.26 -5.04 114.94 121.78 1g0h s ASN 143 Ca 0.53 -0.66 0.30 0.00 0.21 0.00 0.00 52.86 53.24 1g0h s ASN 143 Cb -0.27 -0.45 1.58 0.00 -0.55 0.00 0.00 41.25 41.56 1g0h s ASN 143 CO 0.31 -0.31 2.07 -0.81 -2.79 0.00 0.00 177.10 175.56 1g0h n PRO 144 N 5.14 0.69 -0.65 0.43 -0.04 -1.26 -1.59 135.00 137.72 1g0h n PRO 144 Ca -0.08 -0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 1g0h n PRO 144 Cb 0.48 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.79 1g0h n PRO 144 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1g0h n ASN 145 N -1.10 4.83 -2.51 3.54 5.03 -1.26 -4.38 115.26 119.42 1g0h n ASN 145 Ca 0.17 -2.62 -0.02 0.00 0.87 0.00 0.00 54.58 52.98 1g0h n ASN 145 Cb 0.21 -0.58 0.09 0.00 -1.02 0.00 0.00 39.78 38.48 1g0h n ASN 145 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1g0h n ASN 146 N 0.76 -0.76 -4.69 6.41 5.15 -0.62 -4.97 115.26 116.54 1g0h n ASN 146 Ca 0.25 -2.15 -0.42 0.00 -0.60 0.00 0.00 54.58 51.65 1g0h n ASN 146 Cb 0.95 0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 40.57 1g0h n ASN 146 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1g0h s ILE 147 N -0.65 4.17 -0.15 -1.44 1.01 -1.18 -4.85 121.20 118.11 1g0h s ILE 147 Ca 0.12 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.28 1g0h s ILE 147 Cb 0.38 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1g0h s ILE 147 CO -0.10 -0.01 -0.15 -0.69 0.00 0.00 0.00 174.94 173.99 1g0h s VAL 148 N 2.30 2.77 0.28 2.92 1.01 -1.26 -0.99 120.40 127.43 1g0h s VAL 148 Ca 0.57 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1g0h s VAL 148 Cb -0.26 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1g0h s VAL 148 CO 0.22 0.52 0.26 0.27 0.00 0.00 0.00 175.10 176.37 1g0h s ILE 149 N 0.67 0.00 -0.02 2.22 -4.36 -0.98 -0.98 121.20 117.75 1g0h s ILE 149 Ca -0.07 -1.91 -0.00 0.00 -0.26 0.00 0.00 60.65 58.40 1g0h s ILE 149 Cb -0.16 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.08 1g0h s ILE 149 CO 0.02 0.00 0.03 -0.55 0.24 0.00 0.00 174.94 174.68 1g0h s SER 150 N -3.25 0.17 0.05 4.36 0.15 -0.98 -0.46 113.70 113.74 1g0h s SER 150 Ca 0.38 0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 1g0h s SER 150 Cb 0.04 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1g0h s SER 150 CO 0.20 -0.14 -0.03 -0.72 1.20 0.00 0.00 173.24 173.75 1g0h s TYR 151 N 1.15 0.53 -0.38 3.44 -0.85 -1.26 -1.58 117.35 118.39 1g0h s TYR 151 Ca -0.08 -1.06 0.01 0.00 -0.52 0.00 0.00 57.07 55.42 1g0h s TYR 151 Cb -0.13 -0.39 0.12 0.00 0.38 0.00 0.00 41.96 41.95 1g0h s TYR 151 CO -0.03 -0.37 0.19 0.71 -1.52 0.00 0.00 175.55 174.53 1g0h s TYR 152 N -3.87 1.60 0.40 -3.49 1.51 0.18 -4.91 117.35 108.76 1g0h s TYR 152 Ca 0.07 -2.02 0.01 0.00 -1.01 0.00 0.00 57.07 54.12 1g0h s TYR 152 Cb 0.08 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1g0h s TYR 152 CO -0.10 -0.82 0.61 -1.25 -1.11 0.00 0.00 175.55 172.88 1g0h s PRO 153 N 0.92 3.27 0.37 -1.71 0.04 -1.26 -1.70 135.00 134.93 1g0h s PRO 153 Ca 0.15 -0.43 0.06 0.00 0.04 0.00 0.00 61.00 60.82 1g0h s PRO 153 Cb -0.22 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.76 1g0h s PRO 153 CO -0.08 -0.06 0.49 -1.13 0.04 0.00 0.00 177.00 176.26 1g0h n SER 154 N -1.93 1.47 0.22 6.66 3.41 -1.26 -4.39 113.62 117.81 1g0h n SER 154 Ca -0.02 -2.03 0.08 0.00 -0.26 0.00 0.00 58.87 56.65 1g0h n SER 154 Cb 0.57 -0.24 0.53 0.00 -0.26 0.00 0.00 64.21 64.80 1g0h n SER 154 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1g0h h LYS 155 N 0.00 0.00 -0.37 4.33 6.56 -1.99 -3.16 116.57 121.94 1g0h h LYS 155 Ca -0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1g0h h LYS 155 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1g0h h LYS 155 CO 0.26 0.24 0.00 1.17 -2.06 0.00 0.00 179.45 179.06 1g0h n LYS 156 N -3.78 0.46 -4.86 3.15 4.81 -1.26 -4.82 118.16 111.86 1g0h n LYS 156 Ca -0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.17 1g0h n LYS 156 Cb 0.34 -1.18 -0.15 0.00 0.02 0.00 0.00 35.03 34.06 1g0h n LYS 156 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1g0h s ILE 157 N -1.21 1.57 -0.89 3.15 -1.09 -1.20 -4.68 121.20 116.85 1g0h s ILE 157 Ca 0.00 -0.94 -0.21 0.00 -2.23 0.00 0.00 60.65 57.27 1g0h s ILE 157 Cb 0.00 -1.33 0.10 0.00 -1.58 0.00 0.00 42.46 39.65 1g0h s ILE 157 CO 0.00 0.37 1.17 -0.62 -1.23 0.00 0.00 174.94 174.63 1g0h s ASP 158 N -0.67 6.48 0.21 3.58 -1.08 -1.26 -4.87 116.67 119.07 1g0h s ASP 158 Ca 0.07 -1.62 -0.08 0.00 -0.52 0.00 0.00 52.55 50.41 1g0h s ASP 158 Cb -0.08 -2.45 0.16 0.00 -1.46 0.00 0.00 42.92 39.09 1g0h s ASP 158 CO -0.00 -1.28 1.78 -0.07 0.52 0.00 0.00 175.17 176.12 1g0h h LEU 159 N 11.27 1.08 -1.17 -1.34 3.38 -1.96 -1.75 115.31 124.82 1g0h h LEU 159 Ca 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1g0h h LEU 159 Cb 1.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1g0h h LEU 159 CO 1.20 0.94 -0.24 -0.08 0.09 0.00 0.00 178.44 180.35 1g0h h GLU 160 N 1.14 0.27 -0.28 1.13 4.81 -1.98 0.75 114.58 120.43 1g0h h GLU 160 Ca 0.27 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1g0h h GLU 160 Cb 0.19 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1g0h h GLU 160 CO -0.03 0.51 0.14 -0.22 -0.73 0.00 0.00 179.01 178.68 1g0h h LYS 161 N 0.25 0.29 0.31 1.92 3.64 -1.81 0.18 116.57 121.35 1g0h h LYS 161 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1g0h h LYS 161 Cb 0.57 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1g0h h LYS 161 CO 0.04 0.19 -0.30 1.25 -2.27 0.00 0.00 179.45 178.36 1g0h h LEU 162 N 0.29 -0.81 -1.50 5.20 6.46 -0.34 0.37 115.31 124.98 1g0h h LEU 162 Ca 0.11 0.06 0.23 0.00 -0.12 0.00 0.00 57.88 58.17 1g0h h LEU 162 Cb 0.03 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.15 1g0h h LEU 162 CO -0.07 -0.40 0.64 0.03 -0.62 0.00 0.00 178.44 178.02 1g0h h ARG 163 N -0.60 0.36 -0.29 1.25 2.47 0.55 0.12 114.38 118.24 1g0h h ARG 163 Ca -0.04 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 1g0h h ARG 163 Cb 0.52 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1g0h h ARG 163 CO -0.03 0.24 -0.12 -0.91 0.56 0.00 0.00 179.97 179.70 1g0h h ASN 164 N 0.37 0.60 1.51 7.04 2.35 -0.28 -3.22 115.58 123.95 1g0h h ASN 164 Ca 0.52 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1g0h h ASN 164 Cb 1.36 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.56 1g0h h ASN 164 CO -0.20 0.87 -0.09 0.11 -1.65 0.00 0.00 177.43 176.47 1g0h h LYS 165 N 0.34 0.00 -5.89 0.81 1.57 0.14 -3.46 116.57 110.08 1g0h h LYS 165 Ca 0.07 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.25 1g0h h LYS 165 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 1g0h h LYS 165 CO 0.04 0.09 -0.30 0.14 -0.57 0.00 0.00 179.45 178.84 1g0h s VAL 166 N -3.38 1.57 -0.11 0.50 -7.23 -0.22 -4.89 120.40 106.65 1g0h s VAL 166 Ca 0.04 -1.52 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1g0h s VAL 166 Cb 0.07 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 1g0h s VAL 166 CO 0.64 0.00 -0.04 1.17 -0.31 0.00 0.00 175.10 176.55 1g0h n LYS 167 N -1.76 1.30 -4.20 4.82 4.81 -0.16 -4.91 118.16 118.06 1g0h n LYS 167 Ca -0.03 0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.30 1g0h n LYS 167 Cb 0.64 -1.25 -0.11 0.00 0.02 0.00 0.00 35.03 34.33 1g0h n LYS 167 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1g0h s ARG 168 N -2.25 0.91 -0.02 1.64 0.52 -0.33 -5.00 118.95 114.43 1g0h s ARG 168 Ca -0.11 -1.21 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1g0h s ARG 168 Cb 0.04 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1g0h s ARG 168 CO 0.35 0.10 -0.06 0.08 0.02 0.00 0.00 175.30 175.79 1g0h s VAL 169 N -2.49 0.54 0.01 3.52 1.01 -1.26 -2.32 120.40 119.41 1g0h s VAL 169 Ca 0.08 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1g0h s VAL 169 Cb -0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1g0h s VAL 169 CO 0.01 0.18 -0.10 -0.13 0.00 0.00 0.00 175.10 175.05 1g0h s ARG 170 N 0.17 0.80 -0.35 2.72 1.81 0.39 -4.94 118.95 119.55 1g0h s ARG 170 Ca -0.02 -0.46 0.03 0.00 -1.72 0.00 0.00 55.73 53.55 1g0h s ARG 170 Cb -0.06 -0.76 0.15 0.00 -0.45 0.00 0.00 34.95 33.82 1g0h s ARG 170 CO -0.00 0.20 0.37 0.42 -0.68 0.00 0.00 175.30 175.62 1g0h s ILE 171 N -0.44 -0.38 -0.16 1.52 1.01 -1.26 -3.58 121.20 117.91 1g0h s ILE 171 Ca 0.02 -0.84 0.19 0.00 0.00 0.00 0.00 60.65 60.02 1g0h s ILE 171 Cb -0.05 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 1g0h s ILE 171 CO 0.00 -0.53 0.88 0.49 0.00 0.00 0.00 174.94 175.78 1g0h n PHE 172 N 4.49 0.97 -2.21 3.97 3.01 -1.26 -4.99 117.46 121.43 1g0h n PHE 172 Ca 0.08 0.31 -0.03 0.00 1.01 0.00 0.00 57.45 58.83 1g0h n PHE 172 Cb 0.46 -1.05 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1g0h n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1g0h n GLY 173 N 1.33 0.40 2.81 1.37 0.00 -1.26 -4.94 105.19 104.90 1g0h n GLY 173 Ca -0.07 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1g0h n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g0h s ALA 174 N -2.38 -0.69 0.09 4.61 0.00 -1.26 -4.44 121.76 117.69 1g0h s ALA 174 Ca 0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1g0h s ALA 174 Cb -0.01 -1.98 -0.15 0.00 0.00 0.00 0.00 23.12 20.99 1g0h s ALA 174 CO 0.02 -1.88 1.74 0.35 0.00 0.00 0.00 175.76 176.00 1g0h h PHE 175 N 7.82 0.01 -0.86 0.00 3.04 -1.92 -1.44 116.94 123.59 1g0h h PHE 175 Ca -0.06 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.06 1g0h h PHE 175 Cb 1.08 -0.00 -0.16 0.00 2.56 0.00 0.00 35.95 39.43 1g0h h PHE 175 CO 0.29 0.01 -0.23 0.78 -2.02 0.00 0.00 178.31 177.13 1g0h h GLY 176 N 0.01 0.55 1.70 2.40 0.00 -1.96 -0.32 103.07 105.45 1g0h h GLY 176 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 1g0h h GLY 176 CO -0.00 -0.31 -0.89 -2.00 0.00 0.00 0.00 176.54 173.33 1g0h h LEU 177 N -0.01 0.35 -0.65 3.11 5.85 -1.77 -2.81 115.31 119.39 1g0h h LEU 177 Ca 0.40 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1g0h h LEU 177 Cb 0.63 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1g0h h LEU 177 CO -0.89 1.08 0.23 -0.33 -0.34 0.00 0.00 178.44 178.19 1g0h h GLU 178 N 0.15 0.99 -0.21 1.25 5.08 -0.41 -2.04 114.58 119.39 1g0h h GLU 178 Ca -0.06 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1g0h h GLU 178 Cb 1.52 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.55 1g0h h GLU 178 CO 0.14 0.85 -0.28 0.52 -1.00 0.00 0.00 179.01 179.24 1g0h h MET 179 N 0.92 -0.30 -0.24 2.33 2.86 -0.94 0.45 114.93 120.01 1g0h h MET 179 Ca 0.21 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.94 1g0h h MET 179 Cb 0.25 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1g0h h MET 179 CO -0.01 -0.20 0.38 0.00 1.06 0.00 0.00 176.91 178.13 1g0h h TYR 181 N 0.00 0.00 0.05 0.00 -1.99 0.53 0.42 116.97 115.98 1g0h h TYR 181 Ca 0.11 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 1g0h h TYR 181 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 1g0h h TYR 181 CO 0.00 0.40 -0.03 0.28 -0.00 0.00 0.00 178.16 178.81 1g0h h VAL 182 N 0.00 1.16 -0.82 -2.88 2.07 0.22 -1.17 116.25 114.83 1g0h h VAL 182 Ca -0.02 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.91 1g0h h VAL 182 Cb 1.32 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 32.64 1g0h h VAL 182 CO 0.05 0.18 0.42 0.00 0.02 0.00 0.00 177.57 178.24 1g0h h ALA 183 N 0.52 1.21 -0.01 1.67 0.00 -0.98 -2.11 119.26 119.56 1g0h h ALA 183 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1g0h h ALA 183 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1g0h h ALA 183 CO 0.01 -0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.55 1g0h n LYS 184 N -4.86 1.34 0.00 0.00 2.85 0.12 -3.36 118.16 114.26 1g0h n LYS 184 Ca 0.16 -0.50 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 1g0h n LYS 184 Cb 0.39 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 1g0h n LYS 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1g0h n GLY 185 N 1.09 0.86 0.10 2.58 0.00 -0.79 -4.61 105.19 104.41 1g0h n GLY 185 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1g0h n GLY 185 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g0h h THR 186 N 0.00 1.32 -2.78 2.61 2.02 -1.53 -3.42 112.91 111.13 1g0h h THR 186 Ca 0.00 -1.06 -0.66 0.00 0.77 0.00 0.00 66.41 65.46 1g0h h THR 186 Cb 0.00 1.80 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 1g0h h THR 186 CO 0.00 0.30 -0.50 -0.76 0.37 0.00 0.00 175.52 174.93 1g0h s LEU 187 N -9.32 4.28 0.36 2.58 1.43 -0.54 -4.86 118.68 112.61 1g0h s LEU 187 Ca -0.15 0.38 0.16 0.00 -1.03 0.00 0.00 54.13 53.49 1g0h s LEU 187 Cb 0.04 -2.23 0.68 0.00 0.03 0.00 0.00 46.19 44.71 1g0h s LEU 187 CO 0.72 0.35 1.76 0.44 0.23 0.00 0.00 176.35 179.85 1g0h h ASP 188 N 4.57 0.00 0.00 2.29 5.19 -1.35 -3.39 116.42 123.72 1g0h h ASP 188 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1g0h h ASP 188 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1g0h h ASP 188 CO 0.61 0.41 0.00 0.00 -3.12 0.00 0.00 179.24 177.15 1g0h n ALA 189 N -2.38 0.00 -2.77 3.45 0.00 -1.24 -2.00 120.51 115.57 1g0h n ALA 189 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1g0h n ALA 189 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1g0h n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g0h s VAL 190 N -2.00 0.87 0.24 0.00 0.11 -1.14 -2.32 120.40 116.15 1g0h s VAL 190 Ca 0.00 -1.17 -0.17 0.00 -2.93 0.00 0.00 61.98 57.71 1g0h s VAL 190 Cb 0.00 -0.86 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1g0h s VAL 190 CO 0.00 -0.26 0.57 0.72 -3.33 0.00 0.00 175.10 172.79 1g0h s PHE 191 N -1.26 0.01 -0.42 1.54 -0.71 -0.62 -1.78 117.98 114.74 1g0h s PHE 191 Ca -0.05 -0.39 0.04 0.00 -1.04 0.00 0.00 56.93 55.49 1g0h s PHE 191 Cb -0.10 0.42 0.17 0.00 -1.21 0.00 0.00 43.02 42.30 1g0h s PHE 191 CO 0.01 -1.03 0.42 0.34 -1.34 0.00 0.00 175.22 173.62 1g0h s ASP 192 N -2.93 0.86 0.00 1.98 2.15 -1.01 0.47 116.67 118.19 1g0h s ASP 192 Ca 0.14 -2.52 0.29 0.00 0.43 0.00 0.00 52.55 50.89 1g0h s ASP 192 Cb -0.02 0.21 1.30 0.00 -0.30 0.00 0.00 42.92 44.11 1g0h s ASP 192 CO 0.04 -0.17 1.90 1.33 -0.17 0.00 0.00 175.17 178.10 1g0h n VAL 193 N 3.14 0.00 -2.94 1.11 0.24 -0.74 -3.65 118.33 115.50 1g0h n VAL 193 Ca 0.24 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 62.03 1g0h n VAL 193 Cb 0.49 -0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 32.71 1g0h n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g0h s ARG 194 N -2.41 3.65 -0.37 7.34 1.04 -0.69 -4.63 118.95 122.89 1g0h s ARG 194 Ca 0.31 -1.86 -0.28 0.00 -1.04 0.00 0.00 55.73 52.86 1g0h s ARG 194 Cb 0.20 -4.92 -0.07 0.00 -2.04 0.00 0.00 34.95 28.12 1g0h s ARG 194 CO 0.45 -1.76 2.31 -0.35 -0.04 0.00 0.00 175.30 175.92 1g0h n PRO 195 N 6.41 1.41 0.00 3.89 -0.04 -1.26 -4.60 135.00 140.82 1g0h n PRO 195 Ca 0.25 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1g0h n PRO 195 Cb 0.48 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1g0h n PRO 195 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1g0h n LYS 196 N 8.76 0.73 -1.46 0.54 4.76 -1.26 -4.85 118.16 125.39 1g0h n LYS 196 Ca 0.36 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.48 1g0h n LYS 196 Cb 0.43 -0.60 0.07 0.00 -1.84 0.00 0.00 35.03 33.09 1g0h n LYS 196 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1g0h s VAL 197 N -1.20 3.52 0.22 -0.18 0.11 -1.26 -4.80 120.40 116.81 1g0h s VAL 197 Ca 0.00 0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1g0h s VAL 197 Cb 0.00 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 1g0h s VAL 197 CO 0.00 -0.60 0.22 -0.13 -3.33 0.00 0.00 175.10 171.26 1g0h s ARG 198 N -4.77 1.33 0.22 1.54 0.52 -1.26 -1.11 118.95 115.42 1g0h s ARG 198 Ca 0.61 -1.58 -0.08 0.00 -0.52 0.00 0.00 55.73 54.16 1g0h s ARG 198 Cb -0.17 0.32 0.29 0.00 0.52 0.00 0.00 34.95 35.91 1g0h s ARG 198 CO 0.52 -0.47 1.80 0.00 0.02 0.00 0.00 175.30 177.17 1g0h h ALA 199 N 2.50 0.95 -0.42 2.13 0.00 -1.78 0.53 119.26 123.16 1g0h h ALA 199 Ca -0.33 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.73 1g0h h ALA 199 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1g0h h ALA 199 CO 0.48 0.01 0.42 -0.39 0.00 0.00 0.00 179.25 179.77 1g0h h VAL 200 N 0.66 0.44 0.00 0.00 -1.51 -1.89 0.16 116.25 114.11 1g0h h VAL 200 Ca 0.33 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.59 1g0h h VAL 200 Cb 0.27 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 1g0h h VAL 200 CO -0.22 0.00 -1.30 0.44 -1.23 0.00 0.00 177.57 175.26 1g0h h ASP 201 N 0.00 0.00 -0.00 4.19 3.32 -0.32 -3.36 116.42 120.25 1g0h h ASP 201 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1g0h h ASP 201 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1g0h h ASP 201 CO -0.00 0.77 -0.17 2.30 -1.72 0.00 0.00 179.24 180.41 1g0h n ILE 202 N -3.07 0.00 0.00 0.35 -6.64 -0.36 -3.70 119.36 105.95 1g0h n ILE 202 Ca -0.08 -0.41 0.00 0.00 -1.77 0.00 0.00 62.75 60.48 1g0h n ILE 202 Cb 0.91 1.03 0.00 0.00 -1.44 0.00 0.00 39.64 40.13 1g0h n ILE 202 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1g0h n ALA 203 N -0.78 -0.27 -0.12 -1.28 0.00 0.42 -0.45 120.51 118.03 1g0h n ALA 203 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.61 1g0h n ALA 203 Cb 0.09 0.21 0.54 0.00 0.00 0.00 0.00 19.45 20.29 1g0h n ALA 203 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1g0h h SER 204 N 0.00 0.30 1.24 0.00 4.64 -1.84 -0.32 113.55 117.57 1g0h h SER 204 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1g0h h SER 204 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1g0h h SER 204 CO 0.00 0.16 -0.51 0.28 -0.87 0.00 0.00 176.83 175.89 1g0h h SER 205 N 0.33 0.00 0.29 4.97 0.02 -1.81 -3.16 113.55 114.19 1g0h h SER 205 Ca 0.33 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1g0h h SER 205 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1g0h h SER 205 CO -0.09 0.04 -0.27 0.22 -1.14 0.00 0.00 176.83 175.59 1g0h h TYR 206 N 0.00 -0.76 -0.29 3.45 3.20 0.11 0.58 116.97 123.26 1g0h h TYR 206 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1g0h h TYR 206 Cb 0.88 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 39.36 1g0h h TYR 206 CO 0.00 -0.37 -0.54 0.82 -1.64 0.00 0.00 178.16 176.43 1g0h h ILE 207 N -0.56 0.01 -0.79 1.81 2.04 -1.62 0.36 117.51 118.77 1g0h h ILE 207 Ca -0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1g0h h ILE 207 Cb 0.48 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.48 1g0h h ILE 207 CO -0.02 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.85 1g0h h ILE 208 N -0.47 0.64 -0.38 -0.67 2.04 -1.52 -1.57 117.51 115.58 1g0h h ILE 208 Ca 0.06 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1g0h h ILE 208 Cb 0.63 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1g0h h ILE 208 CO -0.52 0.08 -0.31 0.00 0.00 0.00 0.00 178.15 177.40 1g0h h LYS 210 N 0.69 -0.48 0.00 0.00 1.79 -0.47 0.77 116.57 118.87 1g0h h LYS 210 Ca 0.07 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1g0h h LYS 210 Cb 0.89 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1g0h h LYS 210 CO 0.08 -0.32 0.00 0.39 -1.08 0.00 0.00 179.45 178.52 1g0h n GLU 211 N -5.39 0.10 0.00 3.15 -0.58 -0.64 -2.05 120.64 115.24 1g0h n GLU 211 Ca -0.07 0.19 0.11 0.00 -0.42 0.00 0.00 57.16 56.97 1g0h n GLU 211 Cb 0.30 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1g0h n GLU 211 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g0h n ALA 212 N -1.24 4.32 0.00 0.62 0.00 0.16 -3.56 120.51 120.82 1g0h n ALA 212 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1g0h n ALA 212 Cb 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1g0h n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g0h n GLY 213 N 1.48 0.74 3.71 0.00 0.00 -0.87 -0.19 105.19 110.06 1g0h n GLY 213 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1g0h n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g0h s ALA 214 N -2.00 1.86 -0.71 4.61 0.00 -0.59 -4.82 121.76 120.12 1g0h s ALA 214 Ca 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 1g0h s ALA 214 Cb 0.00 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 19.87 1g0h s ALA 214 CO 0.00 -2.24 0.56 -0.51 0.00 0.00 0.00 175.76 173.57 1g0h s LEU 215 N -5.88 5.60 -0.15 0.00 1.43 0.16 -4.69 118.68 115.16 1g0h s LEU 215 Ca 0.69 -2.94 -0.23 0.00 -1.03 0.00 0.00 54.13 50.62 1g0h s LEU 215 Cb -0.25 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1g0h s LEU 215 CO 0.52 -0.39 0.72 -0.63 0.23 0.00 0.00 176.35 176.80 1g0h s ILE 216 N -0.20 4.98 0.10 -0.59 1.01 -1.26 -2.82 121.20 122.42 1g0h s ILE 216 Ca 0.19 1.41 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 1g0h s ILE 216 Cb -0.17 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1g0h s ILE 216 CO -0.05 0.12 0.17 0.42 0.00 0.00 0.00 174.94 175.59 1g0h s THR 217 N 1.69 0.14 0.00 2.92 -4.23 0.43 -3.09 115.64 113.50 1g0h s THR 217 Ca 0.34 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1g0h s THR 217 Cb -0.17 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1g0h s THR 217 CO 0.13 -0.64 0.00 -0.90 -0.54 0.00 0.00 174.62 172.67 1g0h n ASP 218 N -0.06 0.00 -0.36 3.99 5.75 -1.09 0.58 116.55 125.35 1g0h n ASP 218 Ca -0.13 -0.95 0.30 0.00 -0.01 0.00 0.00 54.79 54.00 1g0h n ASP 218 Cb 0.62 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.33 1g0h n ASP 218 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1g0h h GLU 219 N 0.00 0.20 0.01 0.11 4.11 -1.91 -2.82 114.58 114.29 1g0h h GLU 219 Ca 0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.08 1g0h h GLU 219 Cb 0.00 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 1g0h h GLU 219 CO 0.00 0.13 -2.08 0.09 0.07 0.00 0.00 179.01 177.22 1g0h n ASN 220 N -4.50 0.76 0.00 3.06 3.02 -1.26 -4.97 115.26 111.36 1g0h n ASN 220 Ca 0.29 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1g0h n ASN 220 Cb 1.13 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.55 1g0h n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g0h n GLY 221 N 1.74 1.42 3.84 7.41 0.00 -1.07 -5.08 105.19 113.46 1g0h n GLY 221 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1g0h n GLY 221 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g0h s ASP 222 N -1.28 6.85 0.11 1.61 -4.77 -1.26 -4.79 116.67 113.14 1g0h s ASP 222 Ca 0.00 1.26 -0.26 0.00 -3.30 0.00 0.00 52.55 50.26 1g0h s ASP 222 Cb 0.00 -2.36 -0.14 0.00 -1.09 0.00 0.00 42.92 39.32 1g0h s ASP 222 CO 0.00 -0.08 0.55 -0.62 0.70 0.00 0.00 175.17 175.72 1g0h n GLU 223 N 0.12 0.00 -3.06 2.11 1.02 -1.26 -2.67 120.64 116.89 1g0h n GLU 223 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1g0h n GLU 223 Cb 0.52 -0.93 -0.06 0.00 -0.02 0.00 0.00 31.44 30.95 1g0h n GLU 223 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1g0h s LEU 224 N 1.67 4.57 -0.04 -4.62 2.96 -1.18 -4.64 118.68 117.41 1g0h s LEU 224 Ca 0.58 1.52 0.07 0.00 -0.22 0.00 0.00 54.13 56.08 1g0h s LEU 224 Cb -0.83 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 42.67 1g0h s LEU 224 CO 0.45 0.21 -0.24 -1.59 -1.32 0.00 0.00 176.35 173.87 1g0h s LYS 225 N -1.05 2.15 -0.11 1.98 -2.85 -1.26 -4.96 119.74 113.64 1g0h s LYS 225 Ca 0.34 -0.85 -0.15 0.00 -1.00 0.00 0.00 55.97 54.32 1g0h s LYS 225 Cb -0.22 -1.95 0.04 0.00 -2.06 0.00 0.00 37.83 33.64 1g0h s LYS 225 CO 0.24 0.44 0.38 -0.59 0.10 0.00 0.00 175.35 175.92 1g0h s PHE 226 N -0.35 -0.37 0.49 1.78 -0.12 -1.26 -5.13 117.98 113.02 1g0h s PHE 226 Ca 0.03 0.85 -0.22 0.00 -0.05 0.00 0.00 56.93 57.54 1g0h s PHE 226 Cb -0.11 0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.36 1g0h s PHE 226 CO 0.01 -0.27 1.18 0.34 -0.05 0.00 0.00 175.22 176.43 1g0h s ASP 227 N -0.25 5.95 -0.49 1.98 3.68 -1.26 -5.03 116.67 121.25 1g0h s ASP 227 Ca -0.04 2.33 -0.17 0.00 2.13 0.00 0.00 52.55 56.80 1g0h s ASP 227 Cb -0.03 -2.60 0.07 0.00 -1.45 0.00 0.00 42.92 38.91 1g0h s ASP 227 CO 0.02 -1.07 0.51 -0.76 0.13 0.00 0.00 175.17 174.00 1g0h s LEU 228 N -3.26 5.38 -0.13 -1.34 1.43 -1.26 -4.76 118.68 114.73 1g0h s LEU 228 Ca 0.67 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1g0h s LEU 228 Cb -0.29 -2.29 0.09 0.00 0.03 0.00 0.00 46.19 43.73 1g0h s LEU 228 CO 0.34 -0.78 0.81 0.54 0.23 0.00 0.00 176.35 177.49 1g0h s ASN 229 N 2.73 -0.57 0.20 2.29 6.03 -1.26 -5.02 114.94 119.34 1g0h s ASN 229 Ca 0.09 0.75 0.21 0.00 -1.03 0.00 0.00 52.86 52.88 1g0h s ASN 229 Cb -0.22 0.64 0.90 0.00 -3.03 0.00 0.00 41.25 39.53 1g0h s ASN 229 CO 0.09 -0.44 1.65 0.00 -2.03 0.00 0.00 177.10 176.36 1g0h n ALA 230 N 1.23 1.62 -2.02 3.54 0.00 -1.26 -4.45 120.51 119.17 1g0h n ALA 230 Ca -0.15 0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1g0h n ALA 230 Cb 0.57 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.70 1g0h n ALA 230 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g0h s THR 231 N -3.26 2.70 0.00 0.00 -4.23 -1.26 -4.91 115.64 104.69 1g0h s THR 231 Ca 0.04 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1g0h s THR 231 Cb 0.09 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1g0h s THR 231 CO 0.35 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.90 1g0h n ASP 232 N -1.98 -1.11 -4.85 3.99 10.43 -1.26 -4.78 116.55 117.00 1g0h n ASP 232 Ca 0.10 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.14 1g0h n ASP 232 Cb 0.60 -0.56 -0.05 0.00 1.84 0.00 0.00 41.12 42.96 1g0h n ASP 232 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1g0h s ARG 233 N -0.41 4.00 -0.09 -1.24 0.52 -1.26 -4.46 118.95 116.01 1g0h s ARG 233 Ca 0.00 0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 55.98 1g0h s ARG 233 Cb 0.00 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.24 1g0h s ARG 233 CO 0.00 -0.07 0.21 -0.48 0.02 0.00 0.00 175.30 174.99 1g0h s LEU 234 N -3.56 0.83 0.50 2.53 0.05 -0.27 -4.94 118.68 113.83 1g0h s LEU 234 Ca 0.57 0.44 -0.23 0.00 0.05 0.00 0.00 54.13 54.96 1g0h s LEU 234 Cb -0.10 0.67 -0.07 0.00 -2.05 0.00 0.00 46.19 44.65 1g0h s LEU 234 CO 0.24 -0.12 1.32 0.59 -0.55 0.00 0.00 176.35 177.82 1g0h n ASN 235 N 3.62 2.61 -3.66 1.48 3.02 -1.26 -4.53 115.26 116.54 1g0h n ASN 235 Ca -0.19 1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 55.24 1g0h n ASN 235 Cb 0.55 -1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.11 1g0h n ASN 235 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1g0h s ILE 236 N -1.26 0.04 -0.06 2.41 2.07 -1.24 -4.53 121.20 118.62 1g0h s ILE 236 Ca 0.67 -0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1g0h s ILE 236 Cb -0.45 -0.84 0.04 0.00 0.13 0.00 0.00 42.46 41.34 1g0h s ILE 236 CO 0.53 -0.18 0.12 -0.63 -1.91 0.00 0.00 174.94 172.87 1g0h s ILE 237 N -1.72 -0.13 -0.55 2.00 1.01 0.20 -2.39 121.20 119.61 1g0h s ILE 237 Ca -0.10 0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.90 1g0h s ILE 237 Cb -0.02 -0.23 0.24 0.00 0.01 0.00 0.00 42.46 42.46 1g0h s ILE 237 CO 0.03 0.12 0.63 0.52 0.00 0.00 0.00 174.94 176.24 1g0h n VAL 238 N 4.74 1.09 -2.65 2.92 0.31 -0.73 -0.43 118.33 123.57 1g0h n VAL 238 Ca -0.16 -4.69 -0.22 0.00 -0.01 0.00 0.00 64.34 59.25 1g0h n VAL 238 Cb 0.51 -2.04 0.03 0.00 -0.91 0.00 0.00 33.84 31.43 1g0h n VAL 238 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g0h s ALA 239 N -1.83 3.74 -1.91 3.52 0.00 -1.13 -2.88 121.76 121.28 1g0h s ALA 239 Ca 0.37 -1.17 0.21 0.00 0.00 0.00 0.00 51.96 51.36 1g0h s ALA 239 Cb 0.13 -2.19 0.53 0.00 0.00 0.00 0.00 23.12 21.59 1g0h s ALA 239 CO -0.07 -0.73 1.45 0.27 0.00 0.00 0.00 175.76 176.68 1g0h n ASN 240 N -2.36 3.64 -3.59 0.00 6.94 -0.85 -0.66 115.26 118.38 1g0h n ASN 240 Ca 0.06 -1.98 -0.05 0.00 -0.02 0.00 0.00 54.58 52.59 1g0h n ASN 240 Cb 0.59 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.60 1g0h n ASN 240 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1g0h s SER 241 N -1.11 -0.17 0.11 0.53 1.04 -1.26 -4.82 113.70 108.02 1g0h s SER 241 Ca 0.42 0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.67 1g0h s SER 241 Cb 0.22 0.17 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 1g0h s SER 241 CO 0.30 -0.25 1.68 0.50 0.98 0.00 0.00 173.24 176.45 1g0h h LYS 242 N 2.08 -0.21 -0.45 4.02 3.64 -1.98 -1.95 116.57 121.71 1g0h h LYS 242 Ca -0.11 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1g0h h LYS 242 Cb 1.17 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 1g0h h LYS 242 CO 0.24 -0.14 -0.51 0.93 -2.27 0.00 0.00 179.45 177.71 1g0h h GLU 243 N -0.22 -0.33 -0.52 1.90 3.07 -2.00 -1.39 114.58 115.10 1g0h h GLU 243 Ca 0.05 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1g0h h GLU 243 Cb 0.27 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 1g0h h GLU 243 CO -0.13 -0.22 0.09 1.98 -1.40 0.00 0.00 179.01 179.33 1g0h h MET 244 N -0.34 0.22 -0.92 2.33 4.05 -1.89 0.65 114.93 119.02 1g0h h MET 244 Ca 0.11 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.66 1g0h h MET 244 Cb 0.59 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.26 1g0h h MET 244 CO -0.62 0.15 0.59 1.25 0.23 0.00 0.00 176.91 178.51 1g0h h LEU 245 N 0.23 0.71 0.00 3.39 5.85 -0.55 -2.53 115.31 122.41 1g0h h LEU 245 Ca 0.26 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1g0h h LEU 245 Cb 0.36 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1g0h h LEU 245 CO -0.35 0.35 0.00 0.47 -0.34 0.00 0.00 178.44 178.58 1g0h n ASP 246 N -4.59 0.00 -0.20 1.25 10.43 0.20 0.71 116.55 124.35 1g0h n ASP 246 Ca 0.18 0.70 0.08 0.00 2.57 0.00 0.00 54.79 58.32 1g0h n ASP 246 Cb 0.46 -0.20 0.16 0.00 1.84 0.00 0.00 41.12 43.38 1g0h n ASP 246 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1g0h n ILE 247 N -1.35 -0.25 0.05 0.53 5.41 -1.11 0.18 119.36 122.83 1g0h n ILE 247 Ca 0.00 1.29 -0.18 0.00 1.00 0.00 0.00 62.75 64.87 1g0h n ILE 247 Cb 0.00 -1.87 -0.08 0.00 -0.71 0.00 0.00 39.64 36.97 1g0h n ILE 247 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1g0h h ILE 248 N 0.00 1.32 0.00 1.39 2.04 -1.19 -2.95 117.51 118.12 1g0h h ILE 248 Ca 0.34 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.89 1g0h h ILE 248 Cb 0.69 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1g0h h ILE 248 CO -0.56 0.71 0.00 -0.07 0.00 0.00 0.00 178.15 178.23 1g0h h LEU 249 N 0.34 0.00 0.00 1.44 3.38 0.79 -2.76 115.31 118.50 1g0h h LEU 249 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1g0h h LEU 249 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1g0h h LEU 249 CO 0.19 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.05 1g0h n ASP 250 N -2.62 0.00 0.00 -0.43 4.64 0.47 -3.75 116.55 114.86 1g0h n ASP 250 Ca 0.02 -1.59 0.00 0.00 -1.38 0.00 0.00 54.79 51.84 1g0h n ASP 250 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.37 1g0h n ASP 250 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1g0h n LEU 251 N -0.59 0.00 0.00 -2.67 4.77 -1.04 -4.98 117.00 112.49 1g0h n LEU 251 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1g0h n LEU 251 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1g0h n LEU 251 CO 0.03 0.00 0.25 -0.11 -1.33 0.00 0.00 177.39 176.23