#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3g s ARG 4 N 0.00 4.24 0.17 1.20 3.52 -1.26 -4.87 118.95 121.95 3g3g s ARG 4 Ca 0.00 2.35 -0.30 0.00 -0.13 0.00 0.00 55.73 57.64 3g3g s ARG 4 Cb 0.00 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.21 3g3g s ARG 4 CO 0.00 -0.46 1.31 -1.12 -0.81 0.00 0.00 175.30 174.22 3g3g s SER 5 N 0.40 6.91 0.30 -2.12 0.01 -1.26 -4.69 113.70 113.25 3g3g s SER 5 Ca 0.60 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.91 3g3g s SER 5 Cb -0.43 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.10 3g3g s SER 5 CO 0.44 -0.54 1.24 -0.76 0.41 0.00 0.00 173.24 174.03 3g3g s LEU 6 N 0.26 4.47 -0.20 2.44 1.43 0.09 -4.78 118.68 122.39 3g3g s LEU 6 Ca 0.58 2.52 -0.23 0.00 -1.03 0.00 0.00 54.13 55.98 3g3g s LEU 6 Cb -0.36 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 3g3g s LEU 6 CO 0.35 -0.41 0.72 -0.63 0.23 0.00 0.00 176.35 176.61 3g3g s ILE 7 N -0.99 4.95 -0.26 -0.59 -1.09 -1.26 -0.83 121.20 121.12 3g3g s ILE 7 Ca 0.48 1.37 -0.02 0.00 -2.23 0.00 0.00 60.65 60.25 3g3g s ILE 7 Cb -0.37 -4.02 0.03 0.00 -1.58 0.00 0.00 42.46 36.51 3g3g s ILE 7 CO 0.47 0.06 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.52 3g3g s VAL 8 N 2.14 3.03 0.25 2.92 1.01 -0.27 -0.35 120.40 129.12 3g3g s VAL 8 Ca 0.32 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 3g3g s VAL 8 Cb -0.16 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 3g3g s VAL 8 CO 0.10 0.13 0.75 0.28 0.00 0.00 0.00 175.10 176.37 3g3g s THR 9 N 1.34 4.54 0.25 3.92 -1.32 -0.07 -0.77 115.64 123.53 3g3g s THR 9 Ca -0.00 1.30 -0.05 0.00 -1.21 0.00 0.00 61.69 61.72 3g3g s THR 9 Cb -0.17 -3.84 0.02 0.00 -1.51 0.00 0.00 72.50 67.00 3g3g s THR 9 CO -0.03 0.15 0.42 1.07 -2.21 0.00 0.00 174.62 174.02 3g3g n THR 10 N 0.57 0.00 -3.78 5.08 5.66 -0.95 -1.89 114.28 118.97 3g3g n THR 10 Ca -0.01 -0.93 -0.13 0.00 -3.05 0.00 0.00 64.05 59.93 3g3g n THR 10 Cb 0.51 0.69 -0.10 0.00 -1.55 0.00 0.00 70.33 69.89 3g3g n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3g s ILE 11 N -2.55 0.05 -0.01 1.09 2.07 -1.26 -0.55 121.20 120.04 3g3g s ILE 11 Ca 0.15 -0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 3g3g s ILE 11 Cb -0.02 -0.52 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 3g3g s ILE 11 CO 0.11 -0.21 1.34 -0.76 -1.91 0.00 0.00 174.94 173.51 3g3g s LEU 12 N -0.91 4.31 -0.30 8.50 1.43 -1.26 -4.61 118.68 125.85 3g3g s LEU 12 Ca -0.10 2.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 3g3g s LEU 12 Cb -0.05 -3.56 0.18 0.00 0.03 0.00 0.00 46.19 42.79 3g3g s LEU 12 CO 0.03 -0.67 0.76 -0.70 0.23 0.00 0.00 176.35 175.99 3g3g s GLU 13 N 2.25 0.45 0.24 1.70 2.56 -0.10 -4.98 118.70 120.81 3g3g s GLU 13 Ca 0.62 0.85 -0.30 0.00 0.00 0.00 0.00 54.97 56.14 3g3g s GLU 13 Cb -0.30 0.48 -0.09 0.00 2.00 0.00 0.00 34.13 36.23 3g3g s GLU 13 CO 0.26 -0.42 1.19 -2.00 -0.56 0.00 0.00 175.26 173.73 3g3g s GLU 14 N 2.85 4.51 -0.28 4.30 2.12 -1.25 -0.62 118.70 130.34 3g3g s GLU 14 Ca 0.10 1.92 0.12 0.00 0.36 0.00 0.00 54.97 57.48 3g3g s GLU 14 Cb -0.13 -3.19 0.72 0.00 0.26 0.00 0.00 34.13 31.79 3g3g s GLU 14 CO -0.18 -0.02 1.71 -0.35 -0.54 0.00 0.00 175.26 175.88 3g3g n PRO 15 N 1.82 3.81 -0.01 4.30 -0.04 -1.26 -4.92 135.00 138.70 3g3g n PRO 15 Ca 0.02 -3.08 -0.16 0.00 -0.04 0.00 0.00 63.50 60.24 3g3g n PRO 15 Cb 0.44 -2.15 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 3g3g n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3g h TYR 16 N 2.79 0.46 -2.73 0.54 -1.99 -1.21 -1.28 116.97 113.55 3g3g h TYR 16 Ca 0.15 -0.24 -0.16 0.00 2.00 0.00 0.00 58.73 60.48 3g3g h TYR 16 Cb 2.06 -0.06 -0.30 0.00 2.00 0.00 0.00 36.73 40.44 3g3g h TYR 16 CO 1.09 1.04 -0.45 0.08 -0.00 0.00 0.00 178.16 179.93 3g3g s VAL 17 N -3.24 -0.43 0.03 -2.88 1.01 -0.46 -0.58 120.40 113.85 3g3g s VAL 17 Ca -0.14 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3g3g s VAL 17 Cb 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3g3g s VAL 17 CO 0.78 0.09 -0.02 -0.76 0.00 0.00 0.00 175.10 175.19 3g3g s LEU 18 N 2.30 2.30 0.03 3.92 1.02 0.25 -0.93 118.68 127.57 3g3g s LEU 18 Ca -0.02 -0.68 -0.30 0.00 0.02 0.00 0.00 54.13 53.15 3g3g s LEU 18 Cb -0.12 0.17 -0.05 0.00 0.02 0.00 0.00 46.19 46.21 3g3g s LEU 18 CO -0.10 -0.42 1.17 -0.36 0.02 0.00 0.00 176.35 176.66 3g3g s PHE 19 N -2.42 3.41 0.35 0.29 2.99 -1.26 -0.97 117.98 120.38 3g3g s PHE 19 Ca -0.07 1.33 -0.27 0.00 0.00 0.00 0.00 56.93 57.92 3g3g s PHE 19 Cb -0.03 -3.38 -0.12 0.00 0.00 0.00 0.00 43.02 39.49 3g3g s PHE 19 CO -0.04 -1.13 1.23 1.63 -0.00 0.00 0.00 175.22 176.90 3g3g n LYS 20 N 4.20 1.95 -2.72 0.44 5.02 -0.13 -4.88 118.16 122.04 3g3g n LYS 20 Ca 0.09 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.64 3g3g n LYS 20 Cb 0.47 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 3g3g n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3g s LYS 21 N -1.91 4.40 -0.06 1.97 1.02 -1.26 -5.01 119.74 118.90 3g3g s LYS 21 Ca 0.57 1.33 -0.31 0.00 0.02 0.00 0.00 55.97 57.58 3g3g s LYS 21 Cb -0.57 -3.55 0.07 0.00 -0.52 0.00 0.00 37.83 33.26 3g3g s LYS 21 CO 0.61 -0.33 0.68 -1.54 -0.92 0.00 0.00 175.35 173.85 3g3g s SER 22 N 1.10 -0.66 0.05 2.83 1.04 -1.26 -5.00 113.70 111.80 3g3g s SER 22 Ca 0.46 0.73 -0.13 0.00 0.48 0.00 0.00 55.95 57.50 3g3g s SER 22 Cb -0.18 0.56 -0.30 0.00 0.10 0.00 0.00 66.02 66.20 3g3g s SER 22 CO 0.16 -0.60 1.08 0.44 0.98 0.00 0.00 173.24 175.30 3g3g h ASP 23 N 3.04 0.78 -2.79 7.02 3.32 -2.07 -3.44 116.42 122.28 3g3g h ASP 23 Ca -0.27 -0.77 -0.53 0.00 0.02 0.00 0.00 57.03 55.47 3g3g h ASP 23 Cb 1.14 -0.25 0.03 0.00 0.22 0.00 0.00 39.33 40.47 3g3g h ASP 23 CO 0.38 1.59 0.91 -0.75 -1.72 0.00 0.00 179.24 179.65 3g3g s LYS 24 N -2.80 4.23 0.23 3.56 2.20 -1.26 -4.95 119.74 120.95 3g3g s LYS 24 Ca -0.08 2.27 -0.31 0.00 -0.36 0.00 0.00 55.97 57.48 3g3g s LYS 24 Cb 0.05 -3.42 -0.12 0.00 -1.51 0.00 0.00 37.83 32.83 3g3g s LYS 24 CO 0.93 -0.64 1.68 -2.30 -0.36 0.00 0.00 175.35 174.65 3g3g n PRO 25 N 4.90 2.72 -4.23 4.03 -0.02 -1.26 -5.02 135.00 136.12 3g3g n PRO 25 Ca 0.14 0.98 -0.27 0.00 -2.02 0.00 0.00 63.50 62.33 3g3g n PRO 25 Cb 0.40 -2.80 -0.08 0.00 -0.02 0.00 0.00 33.50 31.00 3g3g n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g3g s LEU 26 N 0.63 3.19 0.05 2.45 1.43 -1.26 -5.13 118.68 120.04 3g3g s LEU 26 Ca 0.72 -0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3g3g s LEU 26 Cb -0.51 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3g3g s LEU 26 CO 0.38 0.11 -0.11 -0.31 0.23 0.00 0.00 176.35 176.65 3g3g s TYR 27 N -1.63 0.94 0.00 0.29 2.02 -1.26 -4.80 117.35 112.91 3g3g s TYR 27 Ca 0.26 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3g3g s TYR 27 Cb -0.10 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 3g3g s TYR 27 CO 0.17 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.55 3g3g n GLY 28 N 1.51 2.52 0.25 0.71 0.00 -1.26 -2.46 105.19 106.47 3g3g n GLY 28 Ca -0.21 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.48 3g3g n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3g h ASN 29 N 9.77 0.00 0.06 1.61 2.35 -1.93 -2.38 115.58 125.05 3g3g h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3g h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3g h ASN 29 CO 0.00 0.16 0.00 -0.78 -1.65 0.00 0.00 177.43 175.16 3g3g h ASP 30 N 0.00 0.00 0.79 5.81 3.58 -1.89 -2.54 116.42 122.18 3g3g h ASP 30 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3g3g h ASP 30 Cb 0.41 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3g3g h ASP 30 CO 0.02 0.00 -0.18 0.03 -2.88 0.00 0.00 179.24 176.24 3g3g h ARG 31 N 0.00 0.00 -6.35 0.28 3.08 -1.53 -3.45 114.38 106.41 3g3g h ARG 31 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3g3g h ARG 31 Cb 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.96 3g3g h ARG 31 CO 0.00 0.18 -0.66 -0.06 -1.07 0.00 0.00 179.97 178.36 3g3g s PHE 32 N -3.78 2.95 0.23 3.04 0.08 -0.96 -0.96 117.98 118.59 3g3g s PHE 32 Ca -0.00 -0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 3g3g s PHE 32 Cb 0.11 -1.49 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3g3g s PHE 32 CO 0.61 0.49 0.39 -1.83 -0.10 0.00 0.00 175.22 174.78 3g3g s GLU 33 N -2.53 1.46 0.00 0.44 -1.05 -0.14 -4.79 118.70 112.09 3g3g s GLU 33 Ca 0.26 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 3g3g s GLU 33 Cb -0.11 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3g3g s GLU 33 CO 0.18 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.23 3g3g n GLY 34 N -0.35 1.66 0.23 -3.83 0.00 -1.26 -0.59 105.19 101.04 3g3g n GLY 34 Ca -0.01 -2.01 -0.03 0.00 0.00 0.00 0.00 46.02 43.97 3g3g n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3g h TYR 35 N 0.00 0.57 0.00 1.61 3.20 -0.79 -0.36 116.97 121.20 3g3g h TYR 35 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3g3g h TYR 35 Cb 0.00 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3g3g h TYR 35 CO 0.00 0.28 -0.38 0.00 -1.64 0.00 0.00 178.16 176.42 3g3g h ILE 37 N 0.00 1.30 -0.96 0.00 1.08 -1.40 -0.19 117.51 117.34 3g3g h ILE 37 Ca -0.00 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 3g3g h ILE 37 Cb 0.88 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 36.12 3g3g h ILE 37 CO 0.05 0.46 0.60 0.44 -0.69 0.00 0.00 178.15 179.01 3g3g h ASP 38 N 0.47 1.14 -0.19 1.72 3.32 -0.82 -1.30 116.42 120.76 3g3g h ASP 38 Ca 0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3g3g h ASP 38 Cb 0.83 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3g3g h ASP 38 CO 0.07 0.85 0.08 0.25 -1.72 0.00 0.00 179.24 178.77 3g3g h LEU 39 N 1.32 0.27 -0.61 1.55 5.85 -0.98 -1.86 115.31 120.85 3g3g h LEU 39 Ca 0.35 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3g3g h LEU 39 Cb -0.10 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3g3g h LEU 39 CO -0.07 0.36 0.36 0.25 -0.34 0.00 0.00 178.44 178.99 3g3g h LEU 40 N 0.16 0.57 -0.55 2.25 5.85 -0.79 0.66 115.31 123.45 3g3g h LEU 40 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3g3g h LEU 40 Cb 0.17 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3g3g h LEU 40 CO -0.01 0.39 0.36 -0.09 -0.34 0.00 0.00 178.44 178.75 3g3g h ARG 41 N 0.69 0.73 -0.62 1.25 2.43 -0.98 0.02 114.38 117.91 3g3g h ARG 41 Ca 0.25 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3g3g h ARG 41 Cb 0.07 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3g3g h ARG 41 CO -0.12 0.50 0.27 0.93 -1.51 0.00 0.00 179.97 180.03 3g3g h GLU 42 N 0.75 0.91 -0.91 0.20 4.39 -0.74 -1.99 114.58 117.19 3g3g h GLU 42 Ca 0.20 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3g3g h GLU 42 Cb -0.07 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.38 3g3g h GLU 42 CO -0.04 0.76 0.55 -0.07 -1.16 0.00 0.00 179.01 179.05 3g3g h LEU 43 N 0.86 1.09 -1.12 1.33 3.38 -0.50 -1.35 115.31 119.00 3g3g h LEU 43 Ca 0.21 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3g3g h LEU 43 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3g3g h LEU 43 CO -0.02 0.84 0.11 0.77 0.09 0.00 0.00 178.44 180.23 3g3g h SER 44 N 1.26 0.68 -0.04 -0.43 4.64 -0.59 0.16 113.55 119.22 3g3g h SER 44 Ca 0.33 -0.11 -0.24 0.00 -0.47 0.00 0.00 61.79 61.29 3g3g h SER 44 Cb -0.06 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3g3g h SER 44 CO -0.06 0.68 -0.92 0.74 -0.87 0.00 0.00 176.83 176.39 3g3g h THR 45 N 0.71 1.29 -0.37 2.95 2.02 -0.92 0.10 112.91 118.70 3g3g h THR 45 Ca 0.16 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.12 3g3g h THR 45 Cb 0.27 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3g3g h THR 45 CO -0.00 0.66 -0.04 0.40 0.37 0.00 0.00 175.52 176.91 3g3g h ILE 46 N 0.37 1.27 -0.00 3.11 2.04 -1.02 -3.26 117.51 120.02 3g3g h ILE 46 Ca -0.10 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3g3g h ILE 46 Cb 1.57 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3g3g h ILE 46 CO 0.18 0.36 -0.83 0.18 0.00 0.00 0.00 178.15 178.04 3g3g n LEU 47 N -4.43 0.90 -2.52 1.44 4.77 0.02 -5.00 117.00 112.18 3g3g n LEU 47 Ca -0.01 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.51 3g3g n LEU 47 Cb 0.31 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3g3g n LEU 47 CO 0.41 0.22 0.02 0.61 -1.33 0.00 0.00 177.39 177.32 3g3g n GLY 48 N 1.49 -0.28 3.23 -0.72 0.00 0.31 -5.04 105.19 104.18 3g3g n GLY 48 Ca 0.05 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 3g3g n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3g s PHE 49 N -3.23 1.16 0.33 1.61 -0.12 -0.92 -5.06 117.98 111.75 3g3g s PHE 49 Ca 0.24 -0.80 0.08 0.00 -0.05 0.00 0.00 56.93 56.40 3g3g s PHE 49 Cb -0.03 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.72 3g3g s PHE 49 CO 0.44 0.02 0.25 0.95 -0.05 0.00 0.00 175.22 176.83 3g3g s THR 50 N -3.37 3.56 0.16 -4.49 -4.23 -1.26 -4.71 115.64 101.31 3g3g s THR 50 Ca 0.15 -1.43 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 3g3g s THR 50 Cb 0.03 -3.17 0.04 0.00 1.34 0.00 0.00 72.50 70.74 3g3g s THR 50 CO -0.01 -0.20 0.50 -0.72 -0.54 0.00 0.00 174.62 173.65 3g3g s TYR 51 N -2.30 -0.25 -0.11 3.99 -0.85 -1.26 -0.73 117.35 115.84 3g3g s TYR 51 Ca 0.39 -0.06 -0.00 0.00 -0.52 0.00 0.00 57.07 56.88 3g3g s TYR 51 Cb -0.06 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.70 3g3g s TYR 51 CO 0.26 -0.83 -0.07 -2.00 -1.52 0.00 0.00 175.55 171.38 3g3g s GLU 52 N -3.82 1.51 0.05 -3.49 2.12 -0.01 -4.87 118.70 110.18 3g3g s GLU 52 Ca 0.05 -0.25 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 3g3g s GLU 52 Cb -0.00 -1.58 -0.04 0.00 0.26 0.00 0.00 34.13 32.77 3g3g s GLU 52 CO -0.08 -0.27 0.95 0.42 -0.54 0.00 0.00 175.26 175.73 3g3g s ILE 53 N 1.71 4.72 -0.05 -3.70 1.01 -1.26 -1.12 121.20 122.51 3g3g s ILE 53 Ca 0.05 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.71 3g3g s ILE 53 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.07 3g3g s ILE 53 CO -0.08 0.24 -0.03 -0.13 0.00 0.00 0.00 174.94 174.94 3g3g s ARG 54 N 0.52 0.72 0.23 2.79 0.52 0.05 -4.86 118.95 118.92 3g3g s ARG 54 Ca 0.48 -0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.36 3g3g s ARG 54 Cb -0.22 -0.84 -0.10 0.00 0.52 0.00 0.00 34.95 34.31 3g3g s ARG 54 CO 0.28 -0.15 1.44 -0.51 0.02 0.00 0.00 175.30 176.38 3g3g s LEU 55 N 1.20 4.39 0.16 2.53 1.43 -1.26 -2.24 118.68 124.89 3g3g s LEU 55 Ca -0.07 2.63 -0.33 0.00 -1.03 0.00 0.00 54.13 55.34 3g3g s LEU 55 Cb -0.14 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 3g3g s LEU 55 CO -0.02 -0.70 1.70 0.55 0.23 0.00 0.00 176.35 178.12 3g3g n VAL 56 N 2.55 0.11 -0.05 -1.59 3.14 0.29 -4.85 118.33 117.92 3g3g n VAL 56 Ca 0.07 -0.02 -0.02 0.00 -2.96 0.00 0.00 64.34 61.42 3g3g n VAL 56 Cb 0.40 -1.84 0.25 0.00 -1.06 0.00 0.00 33.84 31.59 3g3g n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3g3g h GLU 57 N 6.94 0.64 -0.01 1.45 5.08 -1.91 -2.32 114.58 124.45 3g3g h GLU 57 Ca -0.45 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3g3g h GLU 57 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3g3g h GLU 57 CO 0.93 0.64 -0.07 -0.40 -1.00 0.00 0.00 179.01 179.11 3g3g n ASP 58 N -4.26 0.78 -1.07 1.42 5.68 -1.26 -4.93 116.55 112.91 3g3g n ASP 58 Ca 0.02 -0.99 -0.12 0.00 -0.50 0.00 0.00 54.79 53.20 3g3g n ASP 58 Cb 0.26 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.19 3g3g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g3g n GLY 59 N 1.20 0.87 3.51 6.12 0.00 -0.87 -4.97 105.19 111.05 3g3g n GLY 59 Ca 0.17 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 3g3g n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3g s LYS 60 N -3.51 1.85 -0.08 1.61 1.02 -1.26 -5.00 119.74 114.37 3g3g s LYS 60 Ca 0.00 -1.35 -0.11 0.00 0.02 0.00 0.00 55.97 54.53 3g3g s LYS 60 Cb 0.00 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.19 3g3g s LYS 60 CO 0.00 0.43 0.40 1.88 -0.92 0.00 0.00 175.35 177.13 3g3g h TYR 61 N 3.07 -0.16 0.00 3.18 0.05 -1.88 -2.22 116.97 119.00 3g3g h TYR 61 Ca -0.47 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3g3g h TYR 61 Cb 1.20 0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.00 3g3g h TYR 61 CO 0.66 0.08 0.00 0.41 -1.05 0.00 0.00 178.16 178.26 3g3g n GLY 62 N 1.21 4.02 3.27 3.88 0.00 -0.53 -1.34 105.19 115.70 3g3g n GLY 62 Ca -0.04 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3g3g n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3g s ALA 63 N 0.00 -0.02 -0.16 4.61 0.00 -1.23 -4.61 121.76 120.35 3g3g s ALA 63 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 3g3g s ALA 63 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3g3g s ALA 63 CO 0.00 -0.58 0.33 -1.14 0.00 0.00 0.00 175.76 174.37 3g3g s GLN 64 N -3.93 4.25 0.08 0.00 0.74 -1.26 -2.33 119.66 117.21 3g3g s GLN 64 Ca 0.13 0.14 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 3g3g s GLN 64 Cb 0.04 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 3g3g s GLN 64 CO -0.04 0.18 1.48 0.34 -0.55 0.00 0.00 175.29 176.70 3g3g s ASP 65 N 0.59 6.74 0.00 6.67 -1.08 0.54 -4.90 116.67 125.24 3g3g s ASP 65 Ca 0.18 2.36 0.29 0.00 -0.52 0.00 0.00 52.55 54.86 3g3g s ASP 65 Cb -0.13 -2.58 1.40 0.00 -1.46 0.00 0.00 42.92 40.15 3g3g s ASP 65 CO 0.05 -0.75 2.00 -0.90 0.52 0.00 0.00 175.17 176.09 3g3g n ASP 66 N 4.69 0.00 -0.08 -0.34 5.68 -1.26 -1.10 116.55 124.14 3g3g n ASP 66 Ca 0.13 0.12 -0.13 0.00 -0.50 0.00 0.00 54.79 54.41 3g3g n ASP 66 Cb 0.42 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 39.95 3g3g n ASP 66 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3g3g n VAL 67 N -1.37 0.91 1.00 2.12 0.24 -1.26 -4.74 118.33 115.23 3g3g n VAL 67 Ca 0.11 -0.32 0.10 0.00 -2.04 0.00 0.00 64.34 62.20 3g3g n VAL 67 Cb 0.28 -1.25 -0.07 0.00 -1.47 0.00 0.00 33.84 31.33 3g3g n VAL 67 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3g3g n ASN 68 N -3.19 1.46 0.00 -1.34 0.23 -1.25 -4.98 115.26 106.19 3g3g n ASN 68 Ca -0.30 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 3g3g n ASN 68 Cb 0.78 0.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.25 3g3g n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3g n GLY 69 N 1.46 0.94 3.83 4.83 0.00 -0.26 -5.00 105.19 110.99 3g3g n GLY 69 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3g3g n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3g s GLN 70 N -0.11 4.14 0.46 1.61 -0.21 -1.26 -4.66 119.66 119.64 3g3g s GLN 70 Ca 0.00 0.78 -0.04 0.00 0.02 0.00 0.00 55.36 56.12 3g3g s GLN 70 Cb 0.00 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 3g3g s GLN 70 CO 0.00 0.29 0.75 -1.58 -2.12 0.00 0.00 175.29 172.63 3g3g s TRP 71 N -1.72 3.55 0.14 0.91 0.52 -1.26 -0.34 118.94 120.74 3g3g s TRP 71 Ca 0.48 0.74 0.01 0.00 0.02 0.00 0.00 56.10 57.35 3g3g s TRP 71 Cb -0.14 -2.24 -0.00 0.00 -1.15 0.00 0.00 33.47 29.94 3g3g s TRP 71 CO 0.19 -0.22 0.04 0.27 0.02 0.00 0.00 176.95 177.26 3g3g n ASN 72 N -2.19 1.19 0.00 2.95 0.23 -0.98 -4.71 115.26 111.75 3g3g n ASN 72 Ca -0.00 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 3g3g n ASN 72 Cb 0.55 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 3g3g n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3g n GLY 73 N 1.48 0.15 0.29 4.83 0.00 -1.26 -1.99 105.19 108.69 3g3g n GLY 73 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 45.06 3g3g n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3g h MET 74 N 0.00 0.59 -0.23 1.61 2.86 -0.56 -2.44 114.93 116.77 3g3g h MET 74 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3g3g h MET 74 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3g3g h MET 74 CO 0.00 0.54 0.15 0.28 1.06 0.00 0.00 176.91 178.94 3g3g h VAL 75 N 0.58 1.07 -0.74 -2.22 2.07 -1.54 -2.05 116.25 113.43 3g3g h VAL 75 Ca 0.14 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3g3g h VAL 75 Cb 0.20 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3g3g h VAL 75 CO -0.01 0.07 0.33 -0.09 0.02 0.00 0.00 177.57 177.89 3g3g h ARG 76 N 0.31 1.06 -0.86 1.57 9.65 -0.99 -1.00 114.38 124.12 3g3g h ARG 76 Ca 0.08 -0.16 0.10 0.00 -1.10 0.00 0.00 59.98 58.91 3g3g h ARG 76 Cb -0.02 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.30 3g3g h ARG 76 CO -0.02 0.84 0.50 0.93 2.80 0.00 0.00 179.97 185.02 3g3g h GLU 77 N 1.05 0.79 -0.07 0.20 4.39 -0.99 -1.22 114.58 118.74 3g3g h GLU 77 Ca 0.25 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 3g3g h GLU 77 Cb 0.14 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3g3g h GLU 77 CO -0.03 0.53 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.13 3g3g h LEU 78 N 0.82 0.26 -0.94 1.33 3.38 -0.81 -0.24 115.31 119.12 3g3g h LEU 78 Ca 0.42 -0.56 0.15 0.00 0.09 0.00 0.00 57.88 57.98 3g3g h LEU 78 Cb 0.41 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3g3g h LEU 78 CO -0.26 0.78 0.55 0.40 0.09 0.00 0.00 178.44 179.99 3g3g h ILE 79 N -0.24 0.78 -0.09 1.22 2.04 -0.87 -1.00 117.51 119.35 3g3g h ILE 79 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3g3g h ILE 79 Cb 0.73 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3g3g h ILE 79 CO 0.03 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.80 3g3g n ASP 80 N -4.76 1.21 -2.46 1.72 8.00 -0.49 -4.90 116.55 114.87 3g3g n ASP 80 Ca 0.19 -1.55 -0.21 0.00 0.71 0.00 0.00 54.79 53.94 3g3g n ASP 80 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3g3g n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3g n HIS 81 N -0.01 -1.20 0.54 1.24 8.25 -0.38 -4.88 115.22 118.78 3g3g n HIS 81 Ca 0.17 0.13 0.12 0.00 -0.26 0.00 0.00 57.72 57.88 3g3g n HIS 81 Cb 0.27 -4.01 0.21 0.00 1.12 0.00 0.00 29.99 27.58 3g3g n HIS 81 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3g3g h LYS 82 N -0.34 0.00 -4.95 -0.41 1.57 -1.28 -3.46 116.57 107.70 3g3g h LYS 82 Ca -0.49 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.94 3g3g h LYS 82 Cb 1.36 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.45 3g3g h LYS 82 CO 0.56 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 178.68 3g3g s ALA 83 N -3.17 0.87 0.03 3.86 0.00 -1.14 -4.96 121.76 117.25 3g3g s ALA 83 Ca 0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3g3g s ALA 83 Cb 0.13 -0.04 -0.29 0.00 0.00 0.00 0.00 23.12 22.92 3g3g s ALA 83 CO 0.70 0.08 0.95 -0.44 0.00 0.00 0.00 175.76 177.05 3g3g h ASP 84 N 4.47 0.47 -4.63 0.00 3.32 -1.02 -3.43 116.42 115.61 3g3g h ASP 84 Ca -0.38 -0.58 -0.18 0.00 0.02 0.00 0.00 57.03 55.91 3g3g h ASP 84 Cb 1.20 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 3g3g h ASP 84 CO 0.41 1.47 -0.66 -0.76 -1.72 0.00 0.00 179.24 177.98 3g3g s LEU 85 N -7.13 2.02 -0.26 1.55 1.43 -0.96 -4.27 118.68 111.06 3g3g s LEU 85 Ca -0.08 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3g3g s LEU 85 Cb 0.06 0.20 0.02 0.00 0.03 0.00 0.00 46.19 46.50 3g3g s LEU 85 CO 0.88 -0.23 -0.02 0.00 0.23 0.00 0.00 176.35 177.20 3g3g s ALA 86 N -1.02 2.81 -0.38 4.21 0.00 0.21 -0.89 121.76 126.69 3g3g s ALA 86 Ca -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3g3g s ALA 86 Cb -0.07 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.34 3g3g s ALA 86 CO -0.00 -0.79 0.14 0.08 0.00 0.00 0.00 175.76 175.20 3g3g s VAL 87 N 1.39 3.08 0.09 0.00 1.01 -0.79 -1.30 120.40 123.88 3g3g s VAL 87 Ca 0.02 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.75 3g3g s VAL 87 Cb -0.16 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.23 3g3g s VAL 87 CO -0.03 -0.57 1.09 0.00 0.00 0.00 0.00 175.10 175.60 3g3g s ALA 88 N 1.13 -1.88 -1.18 5.51 0.00 -1.26 -4.59 121.76 119.49 3g3g s ALA 88 Ca 0.06 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 3g3g s ALA 88 Cb -0.22 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3g3g s ALA 88 CO -0.04 -1.05 2.08 -0.35 0.00 0.00 0.00 175.76 176.39 3g3g n PRO 89 N -0.51 2.31 -3.54 0.00 -0.04 -1.26 -4.74 135.00 127.22 3g3g n PRO 89 Ca -0.07 -2.34 -0.41 0.00 -0.04 0.00 0.00 63.50 60.65 3g3g n PRO 89 Cb 0.61 -3.17 -0.11 0.00 -0.04 0.00 0.00 33.50 30.80 3g3g n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3g s LEU 90 N 2.20 4.67 0.25 1.53 2.96 -1.26 -5.03 118.68 124.01 3g3g s LEU 90 Ca 0.52 -0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 3g3g s LEU 90 Cb 0.13 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.63 3g3g s LEU 90 CO 0.01 -0.32 1.28 0.00 -1.32 0.00 0.00 176.35 175.99 3g3g s ALA 91 N 1.66 3.50 -0.33 5.97 0.00 -1.26 -2.03 121.76 129.27 3g3g s ALA 91 Ca 0.05 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.86 3g3g s ALA 91 Cb -0.18 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.50 3g3g s ALA 91 CO 0.09 -0.51 0.99 0.42 0.00 0.00 0.00 175.76 176.75 3g3g s ILE 92 N -0.47 4.58 0.12 0.00 1.01 -0.02 -4.90 121.20 121.53 3g3g s ILE 92 Ca 0.52 1.53 0.04 0.00 0.00 0.00 0.00 60.65 62.74 3g3g s ILE 92 Cb -0.37 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 3g3g s ILE 92 CO 0.43 -0.45 -0.10 0.42 0.00 0.00 0.00 174.94 175.24 3g3g s THR 93 N 3.49 1.06 0.15 2.92 -4.23 -1.26 -4.51 115.64 113.26 3g3g s THR 93 Ca 0.42 -1.90 -0.22 0.00 -1.18 0.00 0.00 61.69 58.81 3g3g s THR 93 Cb -0.12 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.08 3g3g s THR 93 CO 0.15 -0.68 1.64 0.22 -0.54 0.00 0.00 174.62 175.41 3g3g h TYR 94 N 3.08 -0.59 -0.12 3.99 3.20 -1.99 -0.28 116.97 124.26 3g3g h TYR 94 Ca -0.37 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.43 3g3g h TYR 94 Cb 1.19 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 3g3g h TYR 94 CO 0.64 -0.30 -0.38 -0.39 -1.64 0.00 0.00 178.16 176.09 3g3g h VAL 95 N -0.23 1.30 -0.10 1.81 -1.51 -2.00 -2.99 116.25 112.52 3g3g h VAL 95 Ca 0.13 -1.46 -0.20 0.00 -1.23 0.00 0.00 66.70 63.95 3g3g h VAL 95 Cb 0.44 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3g3g h VAL 95 CO -0.37 0.44 -0.76 0.03 -1.23 0.00 0.00 177.57 175.69 3g3g h ARG 96 N 0.22 0.54 0.00 5.19 3.08 -1.86 -3.14 114.38 118.41 3g3g h ARG 96 Ca 0.02 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3g3g h ARG 96 Cb 0.78 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3g3g h ARG 96 CO 0.06 1.08 0.00 1.49 -1.07 0.00 0.00 179.97 181.53 3g3g h GLU 97 N 0.37 0.00 0.00 0.04 4.57 -0.92 0.03 114.58 118.67 3g3g h GLU 97 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3g3g h GLU 97 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3g3g h GLU 97 CO 0.14 0.00 0.00 0.87 -1.18 0.00 0.00 179.01 178.84 3g3g h LYS 98 N 0.00 0.00 0.00 1.92 1.57 -1.48 -3.37 116.57 115.21 3g3g h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g3g h LYS 98 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3g3g h LYS 98 CO 0.00 0.00 -0.92 1.33 -0.57 0.00 0.00 179.45 179.29 3g3g n VAL 99 N -2.88 0.00 -4.45 0.50 0.24 -0.38 -5.07 118.33 106.29 3g3g n VAL 99 Ca 0.02 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.10 3g3g n VAL 99 Cb 0.35 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.28 3g3g n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3g s ILE 100 N -1.89 1.16 0.18 1.34 -4.36 -0.14 -4.35 121.20 113.14 3g3g s ILE 100 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3g3g s ILE 100 Cb 0.00 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 3g3g s ILE 100 CO 0.00 0.00 0.19 -1.81 0.24 0.00 0.00 174.94 173.56 3g3g s ASP 101 N -3.49 5.71 0.01 4.36 1.01 -0.40 -4.32 116.67 119.56 3g3g s ASP 101 Ca 0.36 -0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.56 3g3g s ASP 101 Cb 0.09 -1.54 -0.01 0.00 1.01 0.00 0.00 42.92 42.46 3g3g s ASP 101 CO 0.15 0.04 -0.08 -0.36 0.21 0.00 0.00 175.17 175.13 3g3g s PHE 102 N -1.83 0.74 1.00 4.23 0.08 -1.26 -0.83 117.98 120.12 3g3g s PHE 102 Ca 0.32 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 3g3g s PHE 102 Cb -0.10 -0.46 0.20 0.00 -0.57 0.00 0.00 43.02 42.08 3g3g s PHE 102 CO 0.25 -0.02 1.11 -1.13 -0.10 0.00 0.00 175.22 175.33 3g3g n SER 103 N 2.46 -0.33 -4.66 1.36 3.41 -0.00 -4.94 113.62 110.91 3g3g n SER 103 Ca -0.16 0.23 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 3g3g n SER 103 Cb 0.56 -1.41 0.17 0.00 -0.26 0.00 0.00 64.21 63.27 3g3g n SER 103 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3g3g s LYS 104 N -4.56 0.94 0.37 4.33 1.02 -1.26 -4.46 119.74 116.11 3g3g s LYS 104 Ca 0.68 1.43 -0.26 0.00 0.02 0.00 0.00 55.97 57.83 3g3g s LYS 104 Cb -0.24 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.26 3g3g s LYS 104 CO 0.60 -2.65 1.18 -2.14 -0.92 0.00 0.00 175.35 171.42 3g3g s PRO 105 N -4.66 4.20 0.00 -1.68 0.02 -1.26 -4.61 135.00 127.01 3g3g s PRO 105 Ca 0.66 1.89 0.23 0.00 0.02 0.00 0.00 61.00 63.80 3g3g s PRO 105 Cb -0.22 -2.82 0.08 0.00 0.02 0.00 0.00 34.50 31.55 3g3g s PRO 105 CO 0.58 -0.21 1.10 1.97 -0.33 0.00 0.00 177.00 180.12 3g3g n PHE 106 N 0.37 0.02 -3.73 6.54 1.16 -0.12 -4.95 117.46 116.75 3g3g n PHE 106 Ca 0.03 0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.48 3g3g n PHE 106 Cb 0.45 -0.14 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 3g3g n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3g s MET 107 N -3.02 0.56 0.11 3.97 0.00 -1.25 -5.01 119.30 114.67 3g3g s MET 107 Ca 0.09 0.37 0.10 0.00 0.00 0.00 0.00 55.69 56.25 3g3g s MET 107 Cb 0.16 0.27 -0.04 0.00 0.00 0.00 0.00 34.83 35.22 3g3g s MET 107 CO 0.80 -0.11 -0.26 -0.08 0.00 0.00 0.00 175.02 175.37 3g3g s THR 108 N -0.25 2.16 0.24 10.11 -1.32 -1.26 -1.28 115.64 124.03 3g3g s THR 108 Ca -0.04 -1.65 -0.14 0.00 -1.21 0.00 0.00 61.69 58.65 3g3g s THR 108 Cb -0.03 -1.90 0.05 0.00 -1.51 0.00 0.00 72.50 69.11 3g3g s THR 108 CO 0.02 0.13 0.72 0.00 -2.21 0.00 0.00 174.62 173.28 3g3g n LEU 109 N 1.12 0.00 -3.63 9.08 -0.00 -0.17 -4.87 117.00 118.53 3g3g n LEU 109 Ca -0.18 -1.64 -0.10 0.00 -0.00 0.00 0.00 56.01 54.08 3g3g n LEU 109 Cb 0.53 2.68 -0.03 0.00 -0.00 0.00 0.00 43.42 46.60 3g3g n LEU 109 CO 0.23 -0.55 0.34 -0.83 -0.00 0.00 0.00 177.39 176.58 3g3g s GLY 110 N -2.87 -0.31 0.28 1.47 0.00 -1.26 -1.05 107.32 103.58 3g3g s GLY 110 Ca 0.15 0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 3g3g s GLY 110 CO 0.07 -0.08 1.33 -0.42 0.00 0.00 0.00 173.10 174.00 3g3g s ILE 111 N -3.83 2.84 0.00 0.90 1.01 -1.26 -0.35 121.20 120.51 3g3g s ILE 111 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3g3g s ILE 111 Cb -0.01 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3g3g s ILE 111 CO -0.06 0.15 0.00 -0.24 0.00 0.00 0.00 174.94 174.79 3g3g n SER 112 N 1.62 0.00 -4.17 3.58 2.88 0.00 -0.45 113.62 117.08 3g3g n SER 112 Ca 0.03 -0.51 -0.30 0.00 -1.33 0.00 0.00 58.87 56.76 3g3g n SER 112 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 3g3g n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3g s ILE 113 N -1.85 1.83 -0.21 2.46 1.01 -1.25 -1.41 121.20 121.78 3g3g s ILE 113 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 3g3g s ILE 113 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3g3g s ILE 113 CO 0.00 0.51 0.11 -0.22 0.00 0.00 0.00 174.94 175.33 3g3g s LEU 114 N 0.38 3.91 0.33 2.97 2.96 0.15 -0.70 118.68 128.68 3g3g s LEU 114 Ca -0.17 0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3g3g s LEU 114 Cb -0.17 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.51 3g3g s LEU 114 CO 0.07 0.11 0.57 -0.47 -1.32 0.00 0.00 176.35 175.31 3g3g s TYR 115 N 0.78 0.62 0.78 5.38 5.04 -0.74 -0.97 117.35 128.25 3g3g s TYR 115 Ca 0.05 -1.01 -0.11 0.00 -2.44 0.00 0.00 57.07 53.56 3g3g s TYR 115 Cb -0.13 0.25 0.06 0.00 0.35 0.00 0.00 41.96 42.49 3g3g s TYR 115 CO 0.02 -1.23 1.08 -0.98 -1.34 0.00 0.00 175.55 173.10 3g3g s ARG 116 N -3.06 2.19 0.52 4.97 1.70 -1.26 -0.97 118.95 123.04 3g3g s ARG 116 Ca 0.24 0.86 -0.04 0.00 -0.47 0.00 0.00 55.73 56.32 3g3g s ARG 116 Cb -0.02 -1.91 -0.01 0.00 -0.57 0.00 0.00 34.95 32.44 3g3g s ARG 116 CO 0.15 -1.60 0.81 0.15 -1.08 0.00 0.00 175.30 173.74 3g3g s LYS 117 N -5.03 3.17 0.00 3.89 1.02 -0.78 -4.55 119.74 117.46 3g3g s LYS 117 Ca 0.61 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.57 3g3g s LYS 117 Cb -0.15 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3g3g s LYS 117 CO 0.55 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 3g3g n GLY 118 N -2.37 0.81 3.78 -3.33 0.00 -1.26 -5.06 105.19 97.75 3g3g n GLY 118 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3g3g n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3g s THR 119 N -2.06 2.81 -2.03 2.61 -4.23 -1.26 -5.02 115.64 106.45 3g3g s THR 119 Ca 0.00 -1.59 0.27 0.00 -1.18 0.00 0.00 61.69 59.18 3g3g s THR 119 Cb 0.00 -3.01 0.74 0.00 1.34 0.00 0.00 72.50 71.58 3g3g s THR 119 CO 0.00 -0.10 2.00 -0.81 -0.54 0.00 0.00 174.62 175.18 3g3g n PRO 120 N -1.28 1.05 -2.42 3.99 -0.05 -1.26 -4.84 135.00 130.19 3g3g n PRO 120 Ca -0.01 -0.07 -0.42 0.00 -0.05 0.00 0.00 63.50 62.94 3g3g n PRO 120 Cb 0.62 -1.42 -0.03 0.00 -0.05 0.00 0.00 33.50 32.62 3g3g n PRO 120 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3g3g s ILE 121 N -1.99 4.17 0.00 0.52 -1.09 -1.26 -4.89 121.20 116.65 3g3g s ILE 121 Ca 0.40 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 3g3g s ILE 121 Cb 0.19 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3g3g s ILE 121 CO 0.31 -0.01 0.28 -0.67 -1.23 0.00 0.00 174.94 173.62 3g3g n ASP 122 N 5.31 0.56 -3.62 3.58 2.03 -1.26 -4.87 116.55 118.28 3g3g n ASP 122 Ca 0.11 -0.91 -0.07 0.00 0.52 0.00 0.00 54.79 54.45 3g3g n ASP 122 Cb 0.46 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.93 3g3g n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3g s SER 123 N -0.09 -0.31 0.31 1.67 1.04 -1.26 -3.19 113.70 111.86 3g3g s SER 123 Ca 0.00 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.24 3g3g s SER 123 Cb 0.00 0.49 0.60 0.00 0.10 0.00 0.00 66.02 67.21 3g3g s SER 123 CO 0.00 -0.86 1.88 0.00 0.98 0.00 0.00 173.24 175.24 3g3g h ALA 124 N 2.00 1.58 -0.92 5.32 0.00 -1.98 -2.24 119.26 123.04 3g3g h ALA 124 Ca -0.24 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3g3g h ALA 124 Cb 1.25 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3g3g h ALA 124 CO 0.29 0.22 0.60 0.22 0.00 0.00 0.00 179.25 180.58 3g3g h ASP 125 N 0.95 0.97 -0.70 0.00 3.58 -1.95 -0.04 116.42 119.21 3g3g h ASP 125 Ca 0.44 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.83 3g3g h ASP 125 Cb 0.41 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 3g3g h ASP 125 CO -0.20 0.65 0.25 0.44 -2.88 0.00 0.00 179.24 177.49 3g3g h ASP 126 N 1.11 1.02 -0.33 2.28 3.32 -1.80 -2.44 116.42 119.57 3g3g h ASP 126 Ca 0.38 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3g3g h ASP 126 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3g3g h ASP 126 CO -0.13 0.93 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.25 3g3g h LEU 127 N 1.06 0.58 -1.71 1.55 3.38 -1.13 -3.29 115.31 115.74 3g3g h LEU 127 Ca 0.24 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3g3g h LEU 127 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3g3g h LEU 127 CO -0.01 0.75 0.21 0.00 0.09 0.00 0.00 178.44 179.48 3g3g h ALA 128 N 0.85 1.82 -0.13 1.53 0.00 -0.76 -2.56 119.26 120.00 3g3g h ALA 128 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g3g h ALA 128 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g3g h ALA 128 CO 0.02 0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.79 3g3g n LYS 129 N -4.49 1.34 -4.11 0.00 2.85 -0.94 -4.85 118.16 107.95 3g3g n LYS 129 Ca 0.02 -0.53 -0.13 0.00 -1.05 0.00 0.00 58.31 56.62 3g3g n LYS 129 Cb 0.09 -1.17 -0.06 0.00 -0.65 0.00 0.00 35.03 33.24 3g3g n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3g3g s GLN 130 N -1.82 1.61 0.00 -1.58 1.03 -0.97 -5.08 119.66 112.85 3g3g s GLN 130 Ca 0.15 -1.61 0.00 0.00 0.04 0.00 0.00 55.36 53.94 3g3g s GLN 130 Cb 0.08 0.39 0.00 0.00 0.03 0.00 0.00 33.01 33.51 3g3g s GLN 130 CO 0.11 -0.63 0.02 0.25 -2.54 0.00 0.00 175.29 172.50 3g3g n THR 131 N -0.44 0.00 -0.18 3.63 -2.24 -1.26 -4.85 114.28 108.94 3g3g n THR 131 Ca 0.01 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 3g3g n THR 131 Cb 0.63 1.21 0.02 0.00 -2.10 0.00 0.00 70.33 70.09 3g3g n THR 131 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3g3g h LYS 132 N 0.00 0.69 -5.27 -0.78 6.56 -1.97 -3.36 116.57 112.44 3g3g h LYS 132 Ca 0.00 -0.04 -0.64 0.00 -1.06 0.00 0.00 60.65 58.91 3g3g h LYS 132 Cb 0.11 -0.15 -0.15 0.00 -0.57 0.00 0.00 32.23 31.46 3g3g h LYS 132 CO 0.00 0.46 -0.04 0.42 -2.06 0.00 0.00 179.45 178.23 3g3g s ILE 133 N -6.14 5.02 0.63 1.86 1.01 -1.26 -4.94 121.20 117.37 3g3g s ILE 133 Ca -0.13 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 3g3g s ILE 133 Cb 0.12 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3g3g s ILE 133 CO 0.74 -0.18 1.00 -1.61 0.00 0.00 0.00 174.94 174.89 3g3g s GLU 134 N 2.40 3.21 0.02 2.79 2.02 -0.79 -4.88 118.70 123.48 3g3g s GLU 134 Ca 0.19 0.45 -0.22 0.00 0.02 0.00 0.00 54.97 55.41 3g3g s GLU 134 Cb -0.15 -2.13 0.05 0.00 0.10 0.00 0.00 34.13 31.99 3g3g s GLU 134 CO 0.13 -0.71 0.50 1.52 0.02 0.00 0.00 175.26 176.72 3g3g s TYR 135 N -3.15 -0.41 0.00 1.61 -0.85 -1.26 -0.99 117.35 112.30 3g3g s TYR 135 Ca 0.55 0.52 0.00 0.00 -0.52 0.00 0.00 57.07 57.62 3g3g s TYR 135 Cb -0.11 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.53 3g3g s TYR 135 CO 0.50 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 3g3g n GLY 136 N 0.64 2.01 3.76 5.49 0.00 -1.09 -4.74 105.19 111.27 3g3g n GLY 136 Ca -0.19 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3g3g n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3g s ALA 137 N -1.00 -1.35 0.15 4.61 0.00 -1.19 -0.72 121.76 122.26 3g3g s ALA 137 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 3g3g s ALA 137 Cb 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.85 3g3g s ALA 137 CO 0.00 -0.99 1.54 0.08 0.00 0.00 0.00 175.76 176.39 3g3g s VAL 138 N -3.79 2.79 0.23 0.00 1.01 -1.26 -1.80 120.40 117.57 3g3g s VAL 138 Ca 0.09 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 3g3g s VAL 138 Cb -0.04 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 3g3g s VAL 138 CO 0.03 0.04 1.42 -0.70 0.00 0.00 0.00 175.10 175.89 3g3g s GLU 139 N 1.22 4.29 -1.33 2.72 2.12 0.59 -3.36 118.70 124.95 3g3g s GLU 139 Ca 0.69 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.28 3g3g s GLU 139 Cb -0.42 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3g3g s GLU 139 CO 0.31 -0.40 0.00 -0.25 -0.54 0.00 0.00 175.26 174.38 3g3g n ASP 140 N 2.48 -4.58 -3.51 -1.70 8.00 -1.26 -4.81 116.55 111.17 3g3g n ASP 140 Ca 0.07 0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.46 3g3g n ASP 140 Cb 0.41 -3.67 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 3g3g n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3g n GLY 141 N -1.03 3.29 0.28 0.44 0.00 -1.21 -1.45 105.19 105.50 3g3g n GLY 141 Ca -0.17 -2.27 -0.07 0.00 0.00 0.00 0.00 46.02 43.51 3g3g n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3g h ALA 142 N 0.89 0.91 -0.07 4.61 0.00 -1.88 -1.83 119.26 121.89 3g3g h ALA 142 Ca -0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3g3g h ALA 142 Cb 0.70 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3g3g h ALA 142 CO 0.33 0.63 0.03 1.15 0.00 0.00 0.00 179.25 181.39 3g3g h THR 143 N 0.74 1.15 -0.46 0.00 2.02 -1.95 -0.49 112.91 113.92 3g3g h THR 143 Ca 0.12 -0.46 0.06 0.00 0.77 0.00 0.00 66.41 66.90 3g3g h THR 143 Cb 0.65 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3g3g h THR 143 CO 0.05 0.13 0.17 -0.03 0.37 0.00 0.00 175.52 176.20 3g3g h MET 144 N -0.05 0.33 -0.58 6.66 -1.53 -1.71 -2.06 114.93 116.00 3g3g h MET 144 Ca 0.02 -0.02 -0.08 0.00 -3.44 0.00 0.00 59.70 56.18 3g3g h MET 144 Cb 0.18 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.13 3g3g h MET 144 CO -0.00 0.22 0.04 1.15 0.14 0.00 0.00 176.91 178.45 3g3g h THR 145 N 0.34 1.26 -0.16 -0.77 2.02 -1.12 0.13 112.91 114.61 3g3g h THR 145 Ca 0.21 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.37 3g3g h THR 145 Cb 0.21 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3g3g h THR 145 CO -0.21 0.39 -0.03 0.15 0.37 0.00 0.00 175.52 176.18 3g3g h PHE 146 N 0.90 -0.07 -0.38 3.16 3.57 -0.62 -1.11 116.94 122.39 3g3g h PHE 146 Ca 0.17 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3g3g h PHE 146 Cb 0.48 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 3g3g h PHE 146 CO 0.03 -0.06 0.04 0.74 -2.23 0.00 0.00 178.31 176.83 3g3g h PHE 147 N 0.01 0.69 -0.62 0.41 0.04 -0.93 -1.69 116.94 114.85 3g3g h PHE 147 Ca 0.08 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.79 3g3g h PHE 147 Cb 0.11 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.04 3g3g h PHE 147 CO -0.18 0.70 0.41 -0.22 -0.60 0.00 0.00 178.31 178.42 3g3g h LYS 148 N 0.48 0.64 0.00 1.51 3.64 -0.74 -2.59 116.57 119.50 3g3g h LYS 148 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3g3g h LYS 148 Cb 0.40 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3g3g h LYS 148 CO 0.01 0.42 -0.81 0.54 -2.27 0.00 0.00 179.45 177.35 3g3g n ARG 149 N -4.47 0.21 -2.60 1.90 1.74 -0.44 -4.98 116.66 108.01 3g3g n ARG 149 Ca 0.08 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3g3g n ARG 149 Cb 0.20 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3g3g n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g3g s SER 150 N -3.73 7.42 0.00 0.55 0.15 -0.65 -4.92 113.70 112.52 3g3g s SER 150 Ca 0.06 2.12 0.21 0.00 0.70 0.00 0.00 55.95 59.04 3g3g s SER 150 Cb 0.15 -2.62 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 3g3g s SER 150 CO 0.76 -0.02 1.19 0.29 1.20 0.00 0.00 173.24 176.66 3g3g n LYS 151 N 1.27 2.00 -2.29 5.44 5.02 -1.26 -4.27 118.16 124.07 3g3g n LYS 151 Ca -0.01 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 3g3g n LYS 151 Cb 0.46 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3g3g n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g3g s ILE 152 N -1.74 3.76 0.16 -0.18 1.01 -1.26 -4.88 121.20 118.07 3g3g s ILE 152 Ca 0.26 1.21 -0.18 0.00 0.00 0.00 0.00 60.65 61.93 3g3g s ILE 152 Cb 0.18 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.94 3g3g s ILE 152 CO 0.27 0.04 1.67 0.77 0.00 0.00 0.00 174.94 177.70 3g3g h SER 153 N 7.29 -0.35 -0.47 3.58 4.64 -1.99 0.40 113.55 126.66 3g3g h SER 153 Ca -0.39 0.11 0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3g3g h SER 153 Cb 1.19 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.47 3g3g h SER 153 CO 0.87 -0.13 0.27 0.74 -0.87 0.00 0.00 176.83 177.71 3g3g h THR 154 N -0.02 1.03 0.00 2.95 2.02 -1.99 -1.35 112.91 115.55 3g3g h THR 154 Ca 0.16 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.98 3g3g h THR 154 Cb 0.27 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3g3g h THR 154 CO -0.36 0.10 -0.84 1.88 0.37 0.00 0.00 175.52 176.67 3g3g h TYR 155 N 0.54 0.18 -0.21 3.16 0.05 -1.66 -1.72 116.97 117.30 3g3g h TYR 155 Ca 0.19 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 3g3g h TYR 155 Cb 0.03 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 3g3g h TYR 155 CO -0.07 0.91 -0.35 0.38 -1.05 0.00 0.00 178.16 177.97 3g3g h ASP 156 N 0.07 0.48 -0.34 3.88 2.03 -0.74 0.01 116.42 121.81 3g3g h ASP 156 Ca -0.03 -0.19 -0.05 0.00 -0.73 0.00 0.00 57.03 56.03 3g3g h ASP 156 Cb 1.46 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.82 3g3g h ASP 156 CO 0.12 0.79 0.03 0.50 -1.03 0.00 0.00 179.24 179.66 3g3g h LYS 157 N 0.39 0.58 -0.87 4.15 3.64 -1.09 -1.89 116.57 121.47 3g3g h LYS 157 Ca 0.04 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3g3g h LYS 157 Cb 0.80 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3g3g h LYS 157 CO 0.06 0.68 0.53 0.52 -2.27 0.00 0.00 179.45 178.97 3g3g h MET 158 N 0.40 1.18 -0.65 1.90 2.86 -1.05 -2.27 114.93 117.30 3g3g h MET 158 Ca 0.10 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 3g3g h MET 158 Cb 0.39 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3g3g h MET 158 CO 0.01 0.82 0.15 2.35 1.06 0.00 0.00 176.91 181.30 3g3g h TRP 159 N 1.20 1.10 -1.00 -0.22 2.91 -0.74 -0.79 115.95 118.40 3g3g h TRP 159 Ca 0.31 -0.14 0.06 0.00 1.13 0.00 0.00 58.89 60.26 3g3g h TRP 159 Cb -0.06 -0.31 -0.07 0.00 -0.51 0.00 0.00 29.16 28.22 3g3g h TRP 159 CO -0.00 0.92 0.65 0.00 -1.03 0.00 0.00 178.44 178.98 3g3g h ALA 160 N 1.06 1.40 -0.16 2.65 0.00 -1.02 0.17 119.26 123.35 3g3g h ALA 160 Ca 0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3g3g h ALA 160 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g3g h ALA 160 CO 0.00 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 180.03 3g3g h PHE 161 N 1.19 0.34 -0.56 0.00 3.57 -0.98 -1.59 116.94 118.91 3g3g h PHE 161 Ca 0.43 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.87 3g3g h PHE 161 Cb 0.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3g3g h PHE 161 CO -0.00 0.57 0.36 0.52 -2.23 0.00 0.00 178.31 177.53 3g3g h MET 162 N 0.01 0.71 -0.06 1.11 2.86 -0.62 -1.32 114.93 117.62 3g3g h MET 162 Ca 0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3g3g h MET 162 Cb 0.46 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3g3g h MET 162 CO 0.01 0.47 0.02 1.03 1.06 0.00 0.00 176.91 179.51 3g3g h SER 163 N 0.74 0.09 -0.88 1.22 0.87 -0.70 0.71 113.55 115.60 3g3g h SER 163 Ca 0.21 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3g3g h SER 163 Cb -0.06 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3g3g h SER 163 CO -0.06 0.23 0.58 0.77 -0.53 0.00 0.00 176.83 177.83 3g3g h SER 164 N -0.06 1.00 -0.62 6.23 4.64 -1.01 -2.89 113.55 120.84 3g3g h SER 164 Ca 0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g3g h SER 164 Cb 0.17 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3g3g h SER 164 CO -0.00 0.72 0.00 0.54 -0.87 0.00 0.00 176.83 177.22 3g3g n ARG 165 N -4.41 4.38 -0.07 4.77 1.74 -0.52 -4.75 116.66 117.80 3g3g n ARG 165 Ca 0.10 -3.05 0.03 0.00 -0.77 0.00 0.00 57.85 54.16 3g3g n ARG 165 Cb 0.03 -2.10 0.36 0.00 -1.02 0.00 0.00 32.46 29.73 3g3g n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3g h ARG 166 N 4.08 0.68 -0.06 5.56 0.11 -0.63 -0.09 114.38 124.04 3g3g h ARG 166 Ca 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 60.05 3g3g h ARG 166 Cb 1.75 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.67 3g3g h ARG 166 CO 0.37 0.47 0.06 1.96 0.10 0.00 0.00 179.97 182.93 3g3g h GLN 167 N 0.70 0.00 0.02 0.08 1.08 -1.86 -1.33 115.11 113.80 3g3g h GLN 167 Ca 0.19 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.01 3g3g h GLN 167 Cb -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.31 3g3g h GLN 167 CO -0.04 0.00 -2.36 0.45 -0.95 0.00 0.00 178.83 175.93 3g3g n SER 168 N -3.95 1.57 -0.01 1.46 2.88 -0.18 -4.75 113.62 110.64 3g3g n SER 168 Ca -0.01 -0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.59 3g3g n SER 168 Cb 0.16 -0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 63.28 3g3g n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3g n VAL 169 N -3.18 0.00 -3.42 2.46 0.24 -0.39 -4.84 118.33 109.19 3g3g n VAL 169 Ca -0.40 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.34 61.21 3g3g n VAL 169 Cb 1.03 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.73 3g3g n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3g s LEU 170 N -3.92 4.37 0.35 1.34 1.43 -0.53 -3.16 118.68 118.57 3g3g s LEU 170 Ca -0.02 0.86 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 3g3g s LEU 170 Cb 0.14 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.68 3g3g s LEU 170 CO 0.88 0.16 -0.04 0.68 0.23 0.00 0.00 176.35 178.25 3g3g s VAL 171 N -0.18 1.99 -0.95 -1.59 -7.23 -0.75 -4.82 120.40 106.88 3g3g s VAL 171 Ca 0.24 -2.11 0.25 0.00 -1.81 0.00 0.00 61.98 58.54 3g3g s VAL 171 Cb -0.16 -2.74 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 3g3g s VAL 171 CO 0.11 -0.14 1.35 0.29 -0.31 0.00 0.00 175.10 176.40 3g3g n LYS 172 N -0.81 0.04 -3.57 4.82 5.02 -1.26 -0.30 118.16 122.10 3g3g n LYS 172 Ca -0.05 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.14 3g3g n LYS 172 Cb 0.65 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3g3g n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3g s SER 173 N -3.15 -0.38 0.29 4.39 1.04 -1.26 -4.81 113.70 109.82 3g3g s SER 173 Ca 0.10 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 3g3g s SER 173 Cb 0.17 0.55 0.45 0.00 0.10 0.00 0.00 66.02 67.29 3g3g s SER 173 CO 0.72 -0.95 1.94 0.78 0.98 0.00 0.00 173.24 176.70 3g3g h ASN 174 N 2.17 0.97 -0.89 7.02 2.35 -1.94 -2.21 115.58 123.05 3g3g h ASN 174 Ca -0.33 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 3g3g h ASN 174 Cb 1.28 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 3g3g h ASN 174 CO 0.41 0.67 0.50 -0.08 -1.65 0.00 0.00 177.43 177.27 3g3g h GLU 175 N 1.12 1.23 -0.32 0.81 4.81 -1.97 -0.33 114.58 119.93 3g3g h GLU 175 Ca 0.35 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3g3g h GLU 175 Cb 0.01 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3g3g h GLU 175 CO -0.10 0.89 -0.23 0.93 -0.73 0.00 0.00 179.01 179.77 3g3g h GLU 176 N 1.24 0.61 -0.61 1.92 5.08 -1.84 -1.74 114.58 119.24 3g3g h GLU 176 Ca 0.31 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3g3g h GLU 176 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3g3g h GLU 176 CO -0.05 0.79 0.20 0.78 -1.00 0.00 0.00 179.01 179.73 3g3g h GLY 177 N 1.00 1.02 0.99 -3.84 0.00 -0.73 -1.45 103.07 100.05 3g3g h GLY 177 Ca 0.08 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.82 3g3g h GLY 177 CO 0.05 0.56 0.19 -2.22 0.00 0.00 0.00 176.54 175.12 3g3g h ILE 178 N 0.87 1.06 -0.90 2.60 2.04 -0.83 -1.22 117.51 121.14 3g3g h ILE 178 Ca 0.20 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3g3g h ILE 178 Cb 0.28 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3g3g h ILE 178 CO -0.01 0.07 0.60 1.56 0.00 0.00 0.00 178.15 180.37 3g3g h GLN 179 N 0.38 1.17 -0.56 2.37 1.08 -1.14 -0.80 115.11 117.61 3g3g h GLN 179 Ca 0.11 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 3g3g h GLN 179 Cb -0.03 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 3g3g h GLN 179 CO -0.03 0.78 0.07 0.00 -0.95 0.00 0.00 178.83 178.70 3g3g h ARG 180 N 1.21 0.93 -1.01 1.46 2.47 -0.64 -1.66 114.38 117.14 3g3g h ARG 180 Ca 0.33 -0.26 0.05 0.00 -1.26 0.00 0.00 59.98 58.84 3g3g h ARG 180 Cb -0.12 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.03 3g3g h ARG 180 CO -0.08 0.91 0.66 0.28 0.56 0.00 0.00 179.97 182.30 3g3g h VAL 181 N 0.82 1.15 0.00 2.04 2.07 -0.58 -1.32 116.25 120.43 3g3g h VAL 181 Ca 0.17 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3g3g h VAL 181 Cb 0.44 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3g3g h VAL 181 CO 0.01 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 3g3g h LEU 182 N 1.25 0.00 -1.14 2.57 3.38 -0.67 -3.35 115.31 117.35 3g3g h LEU 182 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3g3g h LEU 182 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3g3g h LEU 182 CO -0.14 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.74 3g3g n THR 183 N -3.04 0.17 -3.95 0.22 -2.24 -0.67 -5.06 114.28 99.70 3g3g n THR 183 Ca 0.03 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3g3g n THR 183 Cb 0.46 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 3g3g n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3g s SER 184 N -0.17 0.05 -1.01 3.42 1.04 -0.52 -5.05 113.70 111.46 3g3g s SER 184 Ca 0.00 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 55.26 3g3g s SER 184 Cb 0.00 0.67 0.12 0.00 0.10 0.00 0.00 66.02 66.91 3g3g s SER 184 CO 0.00 -1.29 1.27 -0.62 0.98 0.00 0.00 173.24 173.58 3g3g s ASP 185 N -3.04 6.69 -0.13 7.02 2.15 -1.26 -4.59 116.67 123.50 3g3g s ASP 185 Ca 0.20 -2.10 -0.10 0.00 0.43 0.00 0.00 52.55 50.98 3g3g s ASP 185 Cb -0.02 -2.44 0.04 0.00 -0.30 0.00 0.00 42.92 40.20 3g3g s ASP 185 CO 0.11 -1.10 0.34 -0.47 -0.17 0.00 0.00 175.17 173.88 3g3g s TYR 186 N 3.03 -0.43 -0.09 -5.34 5.04 -1.26 -1.88 117.35 116.43 3g3g s TYR 186 Ca 0.38 0.99 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 3g3g s TYR 186 Cb -0.03 0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.41 3g3g s TYR 186 CO -0.07 -0.23 -0.10 0.00 -1.34 0.00 0.00 175.55 173.80 3g3g s ALA 187 N 0.69 2.79 -0.18 3.97 0.00 -0.17 -4.33 121.76 124.53 3g3g s ALA 187 Ca -0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3g3g s ALA 187 Cb -0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3g3g s ALA 187 CO -0.05 0.43 -0.00 0.12 0.00 0.00 0.00 175.76 176.26 3g3g s PHE 188 N -0.31 3.06 -0.35 0.00 5.36 -0.15 -2.66 117.98 122.94 3g3g s PHE 188 Ca 0.03 -0.34 -0.26 0.00 -0.96 0.00 0.00 56.93 55.41 3g3g s PHE 188 Cb -0.13 -2.04 0.01 0.00 -0.34 0.00 0.00 43.02 40.52 3g3g s PHE 188 CO 0.03 -0.12 0.92 -0.51 -1.46 0.00 0.00 175.22 174.07 3g3g s LEU 189 N 0.71 4.01 -0.00 6.12 2.01 0.10 -0.67 118.68 130.96 3g3g s LEU 189 Ca -0.00 0.68 -0.05 0.00 0.01 0.00 0.00 54.13 54.77 3g3g s LEU 189 Cb -0.14 -3.27 -0.00 0.00 0.01 0.00 0.00 46.19 42.79 3g3g s LEU 189 CO 0.02 -0.81 0.09 -0.32 1.01 0.00 0.00 176.35 176.35 3g3g s MET 190 N 3.38 0.38 0.35 1.70 -2.45 -0.50 -4.54 119.30 117.62 3g3g s MET 190 Ca 0.38 -0.35 -0.27 0.00 -1.25 0.00 0.00 55.69 54.20 3g3g s MET 190 Cb -0.12 0.15 -0.09 0.00 1.25 0.00 0.00 34.83 36.02 3g3g s MET 190 CO 0.17 -0.08 1.20 -1.21 1.05 0.00 0.00 175.02 176.14 3g3g s GLU 191 N -1.13 4.29 0.33 4.11 2.02 -1.26 -0.82 118.70 126.24 3g3g s GLU 191 Ca -0.12 1.95 0.08 0.00 0.02 0.00 0.00 54.97 56.90 3g3g s GLU 191 Cb -0.07 -2.92 0.59 0.00 0.10 0.00 0.00 34.13 31.82 3g3g s GLU 191 CO 0.01 -0.15 1.78 0.66 0.02 0.00 0.00 175.26 177.58 3g3g h SER 192 N 3.15 0.22 -0.64 -0.19 4.64 -1.02 -1.01 113.55 118.70 3g3g h SER 192 Ca -0.48 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 3g3g h SER 192 Cb 1.23 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 3g3g h SER 192 CO 0.64 0.53 0.36 0.71 -0.87 0.00 0.00 176.83 178.21 3g3g h THR 193 N 0.19 1.20 -0.40 2.95 1.35 -1.89 -0.89 112.91 115.42 3g3g h THR 193 Ca 0.03 -0.47 -0.16 0.00 -0.55 0.00 0.00 66.41 65.25 3g3g h THR 193 Cb 0.66 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 3g3g h THR 193 CO 0.05 0.21 -0.36 0.74 -0.25 0.00 0.00 175.52 175.90 3g3g h THR 194 N 0.87 1.27 -0.57 6.82 2.02 -1.69 -2.82 112.91 118.81 3g3g h THR 194 Ca 0.23 -1.54 0.05 0.00 0.77 0.00 0.00 66.41 65.92 3g3g h THR 194 Cb 0.02 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 3g3g h THR 194 CO -0.04 0.52 0.30 0.40 0.37 0.00 0.00 175.52 177.06 3g3g h ILE 195 N 0.78 0.95 -0.71 3.11 2.04 -0.92 -1.02 117.51 121.73 3g3g h ILE 195 Ca 0.07 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.80 3g3g h ILE 195 Cb 0.96 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3g3g h ILE 195 CO 0.09 0.10 0.40 -0.08 0.00 0.00 0.00 178.15 178.66 3g3g h GLU 196 N 0.56 0.70 0.04 2.37 4.81 -1.03 0.36 114.58 122.39 3g3g h GLU 196 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3g3g h GLU 196 Cb 0.17 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3g3g h GLU 196 CO -0.18 0.46 -0.02 0.35 -0.73 0.00 0.00 179.01 178.89 3g3g h PHE 197 N 0.72 -0.05 -0.51 0.92 3.57 -1.12 -2.84 116.94 117.63 3g3g h PHE 197 Ca 0.33 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3g3g h PHE 197 Cb 0.23 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3g3g h PHE 197 CO -0.08 -0.03 0.01 0.28 -2.23 0.00 0.00 178.31 176.26 3g3g h VAL 198 N -0.06 1.26 0.00 1.41 2.07 -0.65 -3.00 116.25 117.28 3g3g h VAL 198 Ca -0.01 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3g3g h VAL 198 Cb 0.05 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3g3g h VAL 198 CO 0.01 0.38 -0.26 0.71 0.02 0.00 0.00 177.57 178.42 3g3g h THR 199 N 0.77 0.56 0.00 2.57 1.35 -0.98 -0.68 112.91 116.49 3g3g h THR 199 Ca 0.15 -1.36 -0.07 0.00 -0.55 0.00 0.00 66.41 64.58 3g3g h THR 199 Cb 0.51 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3g3g h THR 199 CO 0.02 0.26 -0.32 1.56 -0.25 0.00 0.00 175.52 176.79 3g3g h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.37 -3.29 115.11 119.37 3g3g h GLN 200 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g3g h GLN 200 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3g3g h GLN 200 CO 0.03 0.32 -0.97 0.54 -0.67 0.00 0.00 178.83 178.08 3g3g n ARG 201 N -3.59 0.66 -3.77 1.46 1.74 -0.84 -4.49 116.66 107.83 3g3g n ARG 201 Ca -0.01 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 3g3g n ARG 201 Cb 0.45 -1.41 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 3g3g n ARG 201 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3g3g s ASN 202 N -2.91 3.90 0.00 0.55 0.01 -0.32 -4.99 114.94 111.19 3g3g s ASN 202 Ca 0.06 -2.44 0.22 0.00 -0.71 0.00 0.00 52.86 49.99 3g3g s ASN 202 Cb 0.14 -1.13 1.09 0.00 0.41 0.00 0.00 41.25 41.76 3g3g s ASN 202 CO 0.79 -0.30 1.70 0.00 -1.51 0.00 0.00 177.10 177.78 3g3g n ASN 204 N -1.30 1.39 -4.68 0.00 6.94 -1.26 -4.90 115.26 111.44 3g3g n ASN 204 Ca 0.10 -1.41 -0.25 0.00 -0.02 0.00 0.00 54.58 52.99 3g3g n ASN 204 Cb 0.18 0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.54 3g3g n ASN 204 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3g3g s LEU 205 N -2.05 3.36 0.12 -4.53 1.43 -0.53 -1.86 118.68 114.62 3g3g s LEU 205 Ca 0.37 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3g3g s LEU 205 Cb 0.21 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3g3g s LEU 205 CO 0.36 0.05 0.35 0.28 0.23 0.00 0.00 176.35 177.62 3g3g s THR 206 N -1.91 0.09 0.23 5.49 -1.32 -0.14 -4.82 115.64 113.25 3g3g s THR 206 Ca 0.29 -0.76 -0.30 0.00 -1.21 0.00 0.00 61.69 59.71 3g3g s THR 206 Cb -0.08 -1.25 -0.09 0.00 -1.51 0.00 0.00 72.50 69.57 3g3g s THR 206 CO 0.20 -0.39 1.02 -1.58 -2.21 0.00 0.00 174.62 171.66 3g3g s GLN 207 N -3.83 4.72 -0.21 7.08 0.74 -1.26 -1.79 119.66 125.12 3g3g s GLN 207 Ca 0.04 1.63 -0.05 0.00 0.05 0.00 0.00 55.36 57.03 3g3g s GLN 207 Cb 0.03 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 3g3g s GLN 207 CO -0.11 0.31 0.00 0.42 -0.55 0.00 0.00 175.29 175.36 3g3g s ILE 208 N -0.88 3.94 0.00 -2.34 -1.09 0.12 -4.95 121.20 115.99 3g3g s ILE 208 Ca 0.44 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 3g3g s ILE 208 Cb -0.28 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 3g3g s ILE 208 CO 0.35 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 175.09 3g3g n GLY 209 N 4.36 -1.03 0.00 6.18 0.00 -1.19 -3.77 105.19 109.75 3g3g n GLY 209 Ca -0.17 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3g3g n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3g n GLY 210 N 0.00 2.56 3.74 -0.02 0.00 -1.26 -4.91 105.19 105.30 3g3g n GLY 210 Ca 0.00 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 3g3g n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3g s LEU 211 N 0.00 4.42 0.14 0.99 1.43 -1.26 -4.55 118.68 119.85 3g3g s LEU 211 Ca 0.00 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 54.55 3g3g s LEU 211 Cb 0.00 -3.20 -0.11 0.00 0.03 0.00 0.00 46.19 42.91 3g3g s LEU 211 CO 0.00 -0.02 1.32 0.40 0.23 0.00 0.00 176.35 178.29 3g3g h ILE 212 N 4.26 1.61 -2.71 -0.59 2.04 -1.09 -3.48 117.51 117.55 3g3g h ILE 212 Ca -0.43 -3.06 -0.09 0.00 1.00 0.00 0.00 64.86 62.28 3g3g h ILE 212 Cb 1.20 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.96 3g3g h ILE 212 CO 0.72 0.88 -0.04 -0.90 0.00 0.00 0.00 178.15 178.81 3g3g n ASP 213 N -3.49 -0.56 -3.85 1.72 5.68 -1.26 -4.96 116.55 109.83 3g3g n ASP 213 Ca -0.02 -1.70 -0.16 0.00 -0.50 0.00 0.00 54.79 52.41 3g3g n ASP 213 Cb 0.89 1.02 -0.16 0.00 -1.14 0.00 0.00 41.12 41.73 3g3g n ASP 213 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3g3g s SER 214 N -1.81 0.42 0.28 -1.12 0.15 -1.26 -4.25 113.70 106.10 3g3g s SER 214 Ca 0.10 -0.04 -0.18 0.00 0.70 0.00 0.00 55.95 56.53 3g3g s SER 214 Cb -0.01 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3g3g s SER 214 CO 0.07 -0.06 0.65 -1.59 1.20 0.00 0.00 173.24 173.51 3g3g s LYS 215 N 0.70 1.74 0.25 5.44 -2.85 -0.22 -4.99 119.74 119.82 3g3g s LYS 215 Ca -0.07 -1.10 0.11 0.00 -1.00 0.00 0.00 55.97 53.91 3g3g s LYS 215 Cb -0.10 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 3g3g s LYS 215 CO -0.01 -0.78 -0.17 0.20 0.10 0.00 0.00 175.35 174.69 3g3g s GLY 216 N -2.96 1.81 -0.07 0.59 0.00 -1.26 -1.00 107.32 104.42 3g3g s GLY 216 Ca 0.15 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.95 3g3g s GLY 216 CO 0.08 -1.84 0.39 -0.19 0.00 0.00 0.00 173.10 171.54 3g3g s TYR 217 N -2.25 3.61 0.14 1.90 2.02 -0.40 -0.84 117.35 121.53 3g3g s TYR 217 Ca 0.28 0.86 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 3g3g s TYR 217 Cb -0.06 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 3g3g s TYR 217 CO 0.15 0.44 -0.07 0.20 -1.57 0.00 0.00 175.55 174.69 3g3g s GLY 218 N -0.30 1.02 -0.01 0.71 0.00 -0.86 -0.94 107.32 106.94 3g3g s GLY 218 Ca 0.22 -1.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 3g3g s GLY 218 CO 0.10 -1.55 1.18 0.14 0.00 0.00 0.00 173.10 172.97 3g3g s VAL 219 N -3.46 4.23 0.23 1.40 1.01 -1.26 -4.46 120.40 118.09 3g3g s VAL 219 Ca 0.17 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.53 3g3g s VAL 219 Cb 0.04 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3g3g s VAL 219 CO -0.00 0.05 0.74 -0.83 0.00 0.00 0.00 175.10 175.06 3g3g s GLY 220 N 1.31 2.62 0.09 4.51 0.00 -0.42 -0.82 107.32 114.60 3g3g s GLY 220 Ca 0.56 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.48 3g3g s GLY 220 CO 0.25 0.55 -0.04 -0.51 0.00 0.00 0.00 173.10 173.34 3g3g s THR 221 N -1.55 0.49 0.74 0.90 -4.23 -0.01 -0.62 115.64 111.36 3g3g s THR 221 Ca 0.44 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 3g3g s THR 221 Cb -0.17 -1.66 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3g3g s THR 221 CO 0.21 -0.88 1.24 -2.84 -0.54 0.00 0.00 174.62 171.81 3g3g s PRO 222 N -3.88 2.03 0.19 3.99 0.02 -1.26 -1.27 135.00 134.83 3g3g s PRO 222 Ca 0.11 1.89 -0.32 0.00 0.02 0.00 0.00 61.00 62.69 3g3g s PRO 222 Cb 0.06 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.65 3g3g s PRO 222 CO -0.06 -1.95 1.69 -0.12 -0.33 0.00 0.00 177.00 176.23 3g3g n MET 223 N -2.70 2.62 -0.64 5.54 1.56 -1.26 -1.67 117.12 120.58 3g3g n MET 223 Ca 0.14 0.95 0.00 0.00 -0.27 0.00 0.00 57.70 58.52 3g3g n MET 223 Cb 0.49 -2.78 0.00 0.00 2.15 0.00 0.00 33.22 33.09 3g3g n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3g3g n GLY 224 N 3.84 0.80 3.77 -5.12 0.00 -1.26 -4.95 105.19 102.27 3g3g n GLY 224 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g3g n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3g s SER 225 N -2.84 6.48 0.31 1.61 0.15 -0.67 -4.88 113.70 113.86 3g3g s SER 225 Ca 0.00 2.92 0.26 0.00 0.70 0.00 0.00 55.95 59.83 3g3g s SER 225 Cb 0.00 -2.66 0.98 0.00 -1.71 0.00 0.00 66.02 62.63 3g3g s SER 225 CO 0.00 -0.77 1.77 1.55 1.20 0.00 0.00 173.24 176.99 3g3g h PRO 226 N 3.31 0.00 0.00 5.44 0.13 -1.96 -2.91 132.00 136.00 3g3g h PRO 226 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 3g3g h PRO 226 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3g3g h PRO 226 CO 0.66 0.00 -0.29 1.88 -0.23 0.00 0.00 178.00 180.02 3g3g h TYR 227 N 0.00 0.00 0.15 1.56 0.05 -1.97 -3.33 116.97 113.43 3g3g h TYR 227 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3g3g h TYR 227 Cb 0.51 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 3g3g h TYR 227 CO 0.00 0.29 -0.38 -0.09 -1.05 0.00 0.00 178.16 176.93 3g3g h ARG 228 N 0.00 -0.61 -0.12 4.88 2.43 -1.90 -0.60 114.38 118.47 3g3g h ARG 228 Ca -0.00 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3g3g h ARG 228 Cb 0.77 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3g3g h ARG 228 CO 0.04 -0.41 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.28 3g3g h ASP 229 N -0.63 0.25 -0.60 -3.80 3.32 -1.80 -1.02 116.42 112.13 3g3g h ASP 229 Ca 0.02 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3g3g h ASP 229 Cb 0.65 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3g3g h ASP 229 CO -0.21 0.60 0.09 0.11 -1.72 0.00 0.00 179.24 178.12 3g3g h LYS 230 N 0.21 0.99 -0.31 3.56 1.57 -1.61 -2.16 116.57 118.82 3g3g h LYS 230 Ca 0.02 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.39 3g3g h LYS 230 Cb 0.75 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g3g h LYS 230 CO 0.06 0.94 -0.37 0.82 -0.57 0.00 0.00 179.45 180.32 3g3g h ILE 231 N 0.90 1.29 -0.52 1.86 2.04 -0.85 -1.43 117.51 120.80 3g3g h ILE 231 Ca 0.18 -1.55 0.09 0.00 1.00 0.00 0.00 64.86 64.58 3g3g h ILE 231 Cb 0.43 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 3g3g h ILE 231 CO 0.01 0.50 0.07 0.74 0.00 0.00 0.00 178.15 179.48 3g3g h THR 232 N 0.56 0.67 -0.51 -0.27 2.02 -1.03 0.17 112.91 114.52 3g3g h THR 232 Ca 0.04 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3g3g h THR 232 Cb 0.96 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3g3g h THR 232 CO 0.09 0.04 0.06 0.40 0.37 0.00 0.00 175.52 176.47 3g3g h ILE 233 N 0.20 1.25 -0.71 3.11 2.04 -1.21 -0.57 117.51 121.62 3g3g h ILE 233 Ca 0.26 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3g3g h ILE 233 Cb 0.38 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3g3g h ILE 233 CO -0.37 0.35 0.30 0.00 0.00 0.00 0.00 178.15 178.43 3g3g h ALA 234 N 0.96 1.20 -0.28 1.87 0.00 -0.90 -1.05 119.26 121.07 3g3g h ALA 234 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g3g h ALA 234 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g3g h ALA 234 CO 0.01 0.59 0.18 0.82 0.00 0.00 0.00 179.25 180.86 3g3g h ILE 235 N 1.02 1.06 -0.39 0.00 2.04 -0.67 -0.79 117.51 119.77 3g3g h ILE 235 Ca 0.24 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 3g3g h ILE 235 Cb 0.16 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3g3g h ILE 235 CO -0.02 0.07 0.10 -0.07 0.00 0.00 0.00 178.15 178.23 3g3g h LEU 236 N 0.37 0.52 0.02 1.44 3.38 -0.74 0.10 115.31 120.40 3g3g h LEU 236 Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3g3g h LEU 236 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3g3g h LEU 236 CO -0.03 0.52 -0.01 -0.61 0.09 0.00 0.00 178.44 178.40 3g3g h GLN 237 N 0.56 -0.03 -0.83 1.13 4.15 -0.82 -1.65 115.11 117.62 3g3g h GLN 237 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.61 3g3g h GLN 237 Cb 0.20 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 3g3g h GLN 237 CO -0.01 0.11 0.51 -0.07 -1.93 0.00 0.00 178.83 177.45 3g3g h LEU 238 N -0.16 0.81 0.05 -2.39 3.38 -0.71 -1.44 115.31 114.84 3g3g h LEU 238 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g3g h LEU 238 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3g3g h LEU 238 CO 0.01 0.52 -0.02 -0.61 0.09 0.00 0.00 178.44 178.42 3g3g h GLN 239 N 0.94 -0.07 -0.88 1.13 -0.00 -0.67 -0.73 115.11 114.83 3g3g h GLN 239 Ca 0.36 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 59.10 3g3g h GLN 239 Cb 0.16 0.02 -0.06 0.00 0.00 0.00 0.00 27.48 27.59 3g3g h GLN 239 CO -0.17 0.10 0.57 1.49 0.00 0.00 0.00 178.83 180.82 3g3g h GLU 240 N -0.22 0.90 0.00 1.69 4.81 -0.81 -0.42 114.58 120.53 3g3g h GLU 240 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g3g h GLU 240 Cb 0.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3g3g h GLU 240 CO 0.01 0.59 -0.08 0.39 -0.73 0.00 0.00 179.01 179.20 3g3g n GLU 241 N -4.51 0.01 -0.27 1.92 1.02 -0.59 -4.91 120.64 113.30 3g3g n GLU 241 Ca 0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3g3g n GLU 241 Cb 0.27 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3g3g n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3g n GLY 242 N 1.49 0.71 0.19 0.62 0.00 -0.17 -4.97 105.19 103.07 3g3g n GLY 242 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3g3g n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3g h LYS 243 N 4.21 0.42 -0.60 1.61 1.57 -1.33 -2.02 116.57 120.43 3g3g h LYS 243 Ca 0.00 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 3g3g h LYS 243 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3g3g h LYS 243 CO 0.00 0.88 0.07 -0.07 -0.57 0.00 0.00 179.45 179.76 3g3g h LEU 244 N 0.31 0.94 -0.62 2.94 3.38 -1.81 -0.90 115.31 119.56 3g3g h LEU 244 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3g3g h LEU 244 Cb 1.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3g3g h LEU 244 CO 0.10 0.96 -0.17 -0.74 0.09 0.00 0.00 178.44 178.68 3g3g h HIS 245 N 0.92 1.04 -0.72 1.13 2.76 -1.84 -0.84 115.15 117.60 3g3g h HIS 245 Ca 0.18 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3g3g h HIS 245 Cb 0.44 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 3g3g h HIS 245 CO 0.03 1.01 0.31 0.52 -1.30 0.00 0.00 177.93 178.50 3g3g h MET 246 N 0.81 1.06 -0.57 5.26 2.86 -1.07 -0.52 114.93 122.75 3g3g h MET 246 Ca 0.12 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3g3g h MET 246 Cb 0.71 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3g3g h MET 246 CO 0.05 0.85 -0.02 0.52 1.06 0.00 0.00 176.91 179.38 3g3g h MET 247 N 1.02 1.01 -0.30 1.72 2.07 -0.85 -0.74 114.93 118.86 3g3g h MET 247 Ca 0.24 -0.33 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 3g3g h MET 247 Cb 0.17 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 3g3g h MET 247 CO -0.02 1.02 0.16 -0.22 1.07 0.00 0.00 176.91 178.91 3g3g h LYS 248 N 0.90 0.42 -0.41 1.72 3.64 -0.83 -2.31 116.57 119.70 3g3g h LYS 248 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3g3g h LYS 248 Cb 0.57 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3g3g h LYS 248 CO 0.03 0.37 0.08 1.49 -2.27 0.00 0.00 179.45 179.15 3g3g h GLU 249 N 0.36 0.62 -0.40 1.90 4.81 -0.82 0.65 114.58 121.69 3g3g h GLU 249 Ca 0.10 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3g3g h GLU 249 Cb 0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3g3g h GLU 249 CO -0.02 0.58 0.18 -0.22 -0.73 0.00 0.00 179.01 178.81 3g3g h LYS 250 N 0.60 0.58 0.00 1.92 3.64 -0.86 -1.98 116.57 120.47 3g3g h LYS 250 Ca 0.14 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3g3g h LYS 250 Cb 0.26 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3g3g h LYS 250 CO 0.00 0.51 -1.09 0.91 -2.27 0.00 0.00 179.45 177.52 3g3g n TRP 251 N -4.69 0.50 0.90 1.91 7.02 -0.89 -3.84 117.44 118.35 3g3g n TRP 251 Ca -0.00 0.14 0.10 0.00 -1.02 0.00 0.00 57.50 56.73 3g3g n TRP 251 Cb 0.12 -0.64 -0.08 0.00 -2.42 0.00 0.00 31.31 28.29 3g3g n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3g n TRP 252 N -2.25 0.01 0.00 -5.99 8.01 0.18 -4.84 117.44 112.56 3g3g n TRP 252 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 3g3g n TRP 252 Cb 0.49 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 3g3g n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3g3g n ARG 253 N -1.58 0.00 0.00 -0.99 1.74 -0.75 -4.97 116.66 110.12 3g3g n ARG 253 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3g3g n ARG 253 Cb 0.35 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 3g3g n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11