#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3g s ASN 3 N 0.00 5.69 0.31 4.04 0.01 -1.26 -4.95 114.94 118.79 3g3g s ASN 3 Ca 0.00 2.19 -0.29 0.00 -0.71 0.00 0.00 52.86 54.04 3g3g s ASN 3 Cb 0.00 -2.58 -0.12 0.00 0.41 0.00 0.00 41.25 38.96 3g3g s ASN 3 CO 0.00 -1.24 1.50 -1.14 -1.51 0.00 0.00 177.10 174.71 3g3g n ARG 4 N -1.32 2.52 -2.30 -0.60 0.63 -1.26 -4.90 116.66 109.43 3g3g n ARG 4 Ca 0.12 0.89 -0.41 0.00 -0.92 0.00 0.00 57.85 57.53 3g3g n ARG 4 Cb 0.51 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.77 3g3g n ARG 4 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3g3g s SER 5 N 0.19 7.03 0.27 6.15 0.01 -1.26 -4.79 113.70 121.30 3g3g s SER 5 Ca 0.61 2.45 -0.29 0.00 1.31 0.00 0.00 55.95 60.02 3g3g s SER 5 Cb -0.52 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 62.98 3g3g s SER 5 CO 0.55 -0.35 1.11 -0.76 0.41 0.00 0.00 173.24 174.20 3g3g s LEU 6 N -1.43 4.54 -0.23 2.44 1.43 0.06 -4.78 118.68 120.70 3g3g s LEU 6 Ca 0.48 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.65 3g3g s LEU 6 Cb -0.36 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 3g3g s LEU 6 CO 0.46 -0.16 0.58 -0.63 0.23 0.00 0.00 176.35 176.83 3g3g s ILE 7 N -1.08 5.03 -0.31 -0.59 -1.09 -1.26 -0.73 121.20 121.18 3g3g s ILE 7 Ca 0.45 1.05 -0.04 0.00 -2.23 0.00 0.00 60.65 59.88 3g3g s ILE 7 Cb -0.32 -3.89 0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3g3g s ILE 7 CO 0.41 0.09 0.04 -0.69 -1.23 0.00 0.00 174.94 173.56 3g3g s VAL 8 N 2.18 3.42 0.33 2.92 1.01 -0.29 -0.27 120.40 129.69 3g3g s VAL 8 Ca 0.25 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3g3g s VAL 8 Cb -0.16 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 3g3g s VAL 8 CO 0.09 -0.07 0.87 0.28 0.00 0.00 0.00 175.10 176.28 3g3g s THR 9 N 1.36 4.39 0.24 3.92 -1.32 0.06 -0.83 115.64 123.46 3g3g s THR 9 Ca -0.02 1.52 -0.07 0.00 -1.21 0.00 0.00 61.69 61.91 3g3g s THR 9 Cb -0.19 -3.83 0.03 0.00 -1.51 0.00 0.00 72.50 67.00 3g3g s THR 9 CO 0.01 0.01 0.44 1.07 -2.21 0.00 0.00 174.62 173.93 3g3g n THR 10 N 0.20 0.00 -3.82 5.08 5.66 -0.97 -1.91 114.28 118.52 3g3g n THR 10 Ca 0.02 -0.78 -0.12 0.00 -3.05 0.00 0.00 64.05 60.12 3g3g n THR 10 Cb 0.52 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.51 0.05 0.00 1.09 2.07 -1.26 -0.58 121.20 120.06 3g3g s ILE 11 Ca 0.13 -0.41 -0.30 0.00 -1.41 0.00 0.00 60.65 58.65 3g3g s ILE 11 Cb -0.02 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 42.07 3g3g s ILE 11 CO 0.09 -0.23 1.41 -0.76 -1.91 0.00 0.00 174.94 173.54 3g3g s LEU 12 N -0.88 4.32 -0.30 8.50 1.43 -1.26 -4.59 118.68 125.90 3g3g s LEU 12 Ca -0.10 2.13 -0.09 0.00 -1.03 0.00 0.00 54.13 55.04 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 0.02 -0.72 0.85 -0.70 0.23 0.00 0.00 176.35 176.02 3g3g s GLU 13 N 2.38 0.37 0.28 1.70 2.56 -0.02 -4.98 118.70 120.99 3g3g s GLU 13 Ca 0.64 0.71 -0.29 0.00 0.00 0.00 0.00 54.97 56.02 3g3g s GLU 13 Cb -0.32 0.40 -0.10 0.00 2.00 0.00 0.00 34.13 36.12 3g3g s GLU 13 CO 0.27 -0.35 1.09 -2.00 -0.56 0.00 0.00 175.26 173.71 3g3g s GLU 14 N 2.85 4.64 -0.30 4.30 2.12 -1.25 -0.83 118.70 130.22 3g3g s GLU 14 Ca 0.07 1.78 0.11 0.00 0.36 0.00 0.00 54.97 57.29 3g3g s GLU 14 Cb -0.12 -3.17 0.72 0.00 0.26 0.00 0.00 34.13 31.82 3g3g s GLU 14 CO -0.16 0.21 1.75 -0.35 -0.54 0.00 0.00 175.26 176.17 3g3g n PRO 15 N 1.16 3.63 -0.01 4.30 -0.04 -1.26 -4.90 135.00 137.88 3g3g n PRO 15 Ca -0.01 -3.09 -0.17 0.00 -0.04 0.00 0.00 63.50 60.20 3g3g n PRO 15 Cb 0.45 -2.16 -0.12 0.00 -0.04 0.00 0.00 33.50 31.63 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 2.58 0.39 -2.82 0.54 0.05 -1.32 -1.13 116.97 115.26 3g3g h TYR 16 Ca 0.22 -0.23 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 3g3g h TYR 16 Cb 2.19 -0.04 -0.32 0.00 1.01 0.00 0.00 36.73 39.57 3g3g h TYR 16 CO 1.18 1.08 -0.52 0.08 -1.05 0.00 0.00 178.16 178.94 3g3g s VAL 17 N -2.93 -0.43 0.06 -2.88 1.01 -0.40 -0.82 120.40 114.00 3g3g s VAL 17 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3g3g s VAL 17 Cb 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3g3g s VAL 17 CO 0.78 0.11 -0.04 -0.76 0.00 0.00 0.00 175.10 175.18 3g3g s LEU 18 N 2.43 2.44 0.05 3.92 1.02 0.23 -0.84 118.68 127.94 3g3g s LEU 18 Ca 0.01 -0.89 -0.30 0.00 0.02 0.00 0.00 54.13 52.97 3g3g s LEU 18 Cb -0.12 0.09 -0.05 0.00 0.02 0.00 0.00 46.19 46.13 3g3g s LEU 18 CO -0.09 -0.49 1.05 -0.36 0.02 0.00 0.00 176.35 176.48 3g3g s PHE 19 N -3.26 3.62 0.48 0.29 2.99 -1.26 -1.16 117.98 119.68 3g3g s PHE 19 Ca 0.03 1.60 -0.23 0.00 0.00 0.00 0.00 56.93 58.33 3g3g s PHE 19 Cb 0.03 -3.21 -0.08 0.00 0.00 0.00 0.00 43.02 39.77 3g3g s PHE 19 CO -0.07 -0.38 1.23 1.63 -0.00 0.00 0.00 175.22 177.64 3g3g n LYS 20 N 3.55 1.67 -2.79 0.44 5.02 -0.25 -4.88 118.16 120.91 3g3g n LYS 20 Ca 0.06 0.60 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 3g3g n LYS 20 Cb 0.49 -2.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 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 -2.47 4.31 -0.09 1.97 3.01 -1.26 -5.01 119.74 120.19 3g3g s LYS 21 Ca 0.66 1.18 -0.17 0.00 -1.01 0.00 0.00 55.97 56.63 3g3g s LYS 21 Cb -0.47 -3.59 0.04 0.00 -1.01 0.00 0.00 37.83 32.80 3g3g s LYS 21 CO 0.54 -0.41 0.42 0.45 0.51 0.00 0.00 175.35 176.86 3g3g s SER 22 N 1.17 -0.39 0.04 2.83 0.15 -1.26 -5.00 113.70 111.25 3g3g s SER 22 Ca 0.42 0.57 0.10 0.00 0.70 0.00 0.00 55.95 57.74 3g3g s SER 22 Cb -0.17 0.64 -0.21 0.00 -1.71 0.00 0.00 66.02 64.57 3g3g s SER 22 CO 0.12 -0.32 0.97 0.44 1.20 0.00 0.00 173.24 175.65 3g3g h ASP 23 N 4.55 0.00 -3.18 5.45 3.32 -2.07 -3.45 116.42 121.05 3g3g h ASP 23 Ca -0.28 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.24 3g3g h ASP 23 Cb 1.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 3g3g h ASP 23 CO 0.31 0.98 0.64 -0.75 -1.72 0.00 0.00 179.24 178.70 3g3g s LYS 24 N -2.67 4.39 0.21 3.56 2.20 -1.26 -4.99 119.74 121.18 3g3g s LYS 24 Ca -0.02 1.95 -0.31 0.00 -0.36 0.00 0.00 55.97 57.23 3g3g s LYS 24 Cb 0.09 -3.27 -0.11 0.00 -1.51 0.00 0.00 37.83 33.03 3g3g s LYS 24 CO 0.82 -0.31 1.63 -2.14 -0.36 0.00 0.00 175.35 174.99 3g3g s PRO 25 N 0.75 4.16 0.20 4.03 0.02 -1.26 -5.02 135.00 137.87 3g3g s PRO 25 Ca 0.60 2.51 0.07 0.00 0.02 0.00 0.00 61.00 64.20 3g3g s PRO 25 Cb -0.34 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 3g3g s PRO 25 CO 0.32 -0.66 0.06 -0.51 -0.33 0.00 0.00 177.00 175.88 3g3g s LEU 26 N 0.73 3.50 0.09 -5.54 1.43 -1.26 -5.14 118.68 112.49 3g3g s LEU 26 Ca 0.70 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3g3g s LEU 26 Cb -0.47 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3g3g s LEU 26 CO 0.36 0.05 -0.12 -0.31 0.23 0.00 0.00 176.35 176.56 3g3g s TYR 27 N -1.88 1.14 0.00 0.29 1.51 -1.26 -4.80 117.35 112.35 3g3g s TYR 27 Ca 0.30 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 3g3g s TYR 27 Cb -0.09 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.14 3g3g s TYR 27 CO 0.21 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 3g3g n GLY 28 N 0.87 1.75 0.29 0.71 0.00 -1.26 -2.24 105.19 105.31 3g3g n GLY 28 Ca -0.18 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 9.36 0.00 0.46 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 0.06 0.00 -0.67 -1.65 0.00 0.00 177.43 175.17 3g3g n ASP 30 N -3.42 0.38 0.25 5.81 2.03 -0.95 -2.41 116.55 118.24 3g3g n ASP 30 Ca -0.02 0.61 0.14 0.00 0.52 0.00 0.00 54.79 56.04 3g3g n ASP 30 Cb 0.19 -0.68 0.61 0.00 -0.72 0.00 0.00 41.12 40.51 3g3g n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3g h ARG 31 N 0.00 0.00 -6.40 -0.67 3.08 -1.52 -3.46 114.38 105.42 3g3g h ARG 31 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3g3g h ARG 31 Cb 0.23 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 3g3g h ARG 31 CO 0.00 0.11 -0.68 -0.06 -1.07 0.00 0.00 179.97 178.27 3g3g s PHE 32 N -3.74 2.92 0.19 3.04 0.08 -1.01 -1.09 117.98 118.38 3g3g s PHE 32 Ca 0.00 -0.06 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 3g3g s PHE 32 Cb 0.10 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3g3g s PHE 32 CO 0.59 0.47 0.32 -1.83 -0.10 0.00 0.00 175.22 174.66 3g3g s GLU 33 N -2.31 1.28 0.00 0.44 -1.05 -0.31 -4.79 118.70 111.96 3g3g s GLU 33 Ca 0.25 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 3g3g s GLU 33 Cb -0.11 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3g3g s GLU 33 CO 0.17 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.31 3g3g n GLY 34 N -0.27 1.67 0.15 -3.83 0.00 -1.26 -0.60 105.19 101.05 3g3g n GLY 34 Ca -0.04 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.06 0.00 1.61 3.20 -0.79 -0.46 116.97 120.47 3g3g h TYR 35 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3g3g h TYR 35 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3g3g h TYR 35 CO 0.00 -0.09 -0.31 0.00 -1.64 0.00 0.00 178.16 176.12 3g3g h ILE 37 N 0.00 1.29 -0.75 0.00 1.08 -1.39 -0.65 117.51 117.09 3g3g h ILE 37 Ca -0.00 -1.58 -0.06 0.00 -0.39 0.00 0.00 64.86 62.83 3g3g h ILE 37 Cb 0.70 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.99 3g3g h ILE 37 CO 0.04 0.51 0.24 0.44 -0.69 0.00 0.00 178.15 178.69 3g3g h ASP 38 N 0.57 1.09 -0.09 1.72 3.32 -0.86 -0.99 116.42 121.19 3g3g h ASP 38 Ca 0.04 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 3g3g h ASP 38 Cb 0.99 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3g3g h ASP 38 CO 0.09 1.01 0.05 0.25 -1.72 0.00 0.00 179.24 178.93 3g3g h LEU 39 N 1.11 0.10 -0.58 1.55 5.85 -0.95 -1.53 115.31 120.88 3g3g h LEU 39 Ca 0.24 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3g3g h LEU 39 Cb 0.31 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3g3g h LEU 39 CO -0.01 0.11 0.28 0.25 -0.34 0.00 0.00 178.44 178.73 3g3g h LEU 40 N 0.09 0.38 -0.79 2.25 5.85 -0.90 -0.29 115.31 121.90 3g3g h LEU 40 Ca 0.03 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3g3g h LEU 40 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3g3g h LEU 40 CO -0.01 0.25 0.52 0.03 -0.34 0.00 0.00 178.44 178.90 3g3g h ARG 41 N 0.53 1.04 -0.40 1.25 -0.00 -0.81 -0.04 114.38 115.94 3g3g h ARG 41 Ca 0.27 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.98 59.63 3g3g h ARG 41 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 29.97 29.93 3g3g h ARG 41 CO -0.20 0.69 0.04 0.93 0.00 0.00 0.00 179.97 181.42 3g3g h GLU 42 N 1.07 0.68 -0.87 0.04 4.39 -0.67 -2.41 114.58 116.81 3g3g h GLU 42 Ca 0.29 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.81 3g3g h GLU 42 Cb -0.12 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.41 3g3g h GLU 42 CO -0.06 0.74 0.58 -0.07 -1.16 0.00 0.00 179.01 179.04 3g3g h LEU 43 N 0.52 0.99 -0.99 1.33 3.38 -0.74 -1.48 115.31 118.32 3g3g h LEU 43 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3g3g h LEU 43 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3g3g h LEU 43 CO 0.01 0.70 0.34 0.77 0.09 0.00 0.00 178.44 180.36 3g3g h SER 44 N 1.16 0.97 0.16 -0.43 4.64 -0.79 -0.68 113.55 118.58 3g3g h SER 44 Ca 0.33 -0.12 -0.24 0.00 -0.47 0.00 0.00 61.79 61.30 3g3g h SER 44 Cb -0.10 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 61.75 3g3g h SER 44 CO -0.08 0.83 -0.95 0.71 -0.87 0.00 0.00 176.83 176.47 3g3g h THR 45 N 1.06 1.34 -0.12 2.95 1.35 -1.04 0.12 112.91 118.56 3g3g h THR 45 Ca 0.26 -2.31 -0.01 0.00 -0.55 0.00 0.00 66.41 63.80 3g3g h THR 45 Cb 0.13 2.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 3g3g h THR 45 CO -0.03 0.70 0.05 0.40 -0.25 0.00 0.00 175.52 176.39 3g3g h ILE 46 N 0.32 1.15 0.00 6.82 2.04 -1.06 -3.26 117.51 123.52 3g3g h ILE 46 Ca -0.09 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3g3g h ILE 46 Cb 1.59 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3g3g h ILE 46 CO 0.18 0.14 -0.88 0.18 0.00 0.00 0.00 178.15 177.76 3g3g n LEU 47 N -4.90 0.66 -2.22 1.44 4.77 -0.28 -5.01 117.00 111.46 3g3g n LEU 47 Ca -0.05 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3g3g n LEU 47 Cb 0.12 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3g3g n LEU 47 CO 0.34 -0.03 0.01 0.61 -1.33 0.00 0.00 177.39 177.00 3g3g n GLY 48 N 1.33 0.05 3.21 -0.72 0.00 0.37 -5.05 105.19 104.37 3g3g n GLY 48 Ca 0.02 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.16 1.15 0.35 1.61 -0.12 -0.96 -5.06 117.98 111.79 3g3g s PHE 49 Ca 0.18 -0.71 0.07 0.00 -0.05 0.00 0.00 56.93 56.42 3g3g s PHE 49 Cb -0.02 -0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 3g3g s PHE 49 CO 0.31 0.03 0.35 0.95 -0.05 0.00 0.00 175.22 176.81 3g3g s THR 50 N -2.87 3.55 0.17 -4.49 -4.23 -1.26 -4.71 115.64 101.80 3g3g s THR 50 Ca 0.11 -1.28 -0.18 0.00 -1.18 0.00 0.00 61.69 59.16 3g3g s THR 50 Cb -0.00 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.67 3g3g s THR 50 CO 0.00 -0.15 0.51 -0.72 -0.54 0.00 0.00 174.62 173.72 3g3g s TYR 51 N -2.30 -0.21 -0.07 3.99 -0.85 -1.26 -0.76 117.35 115.89 3g3g s TYR 51 Ca 0.43 -0.11 -0.01 0.00 -0.52 0.00 0.00 57.07 56.86 3g3g s TYR 51 Cb -0.06 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.69 3g3g s TYR 51 CO 0.28 -0.86 -0.02 -2.00 -1.52 0.00 0.00 175.55 171.43 3g3g s GLU 52 N -3.84 0.78 -0.00 -3.49 2.12 0.09 -4.85 118.70 109.51 3g3g s GLU 52 Ca 0.06 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 3g3g s GLU 52 Cb -0.00 -1.02 -0.03 0.00 0.26 0.00 0.00 34.13 33.33 3g3g s GLU 52 CO -0.07 -0.25 0.96 0.42 -0.54 0.00 0.00 175.26 175.79 3g3g s ILE 53 N 1.69 4.88 -0.08 -3.70 1.01 -1.26 -1.14 121.20 122.61 3g3g s ILE 53 Ca 0.01 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.69 3g3g s ILE 53 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.06 3g3g s ILE 53 CO -0.04 0.17 -0.07 -0.13 0.00 0.00 0.00 174.94 174.87 3g3g s ARG 54 N 1.00 1.24 0.17 2.79 0.52 -0.01 -4.89 118.95 119.77 3g3g s ARG 54 Ca 0.51 -0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 55.22 3g3g s ARG 54 Cb -0.21 -1.26 -0.09 0.00 0.52 0.00 0.00 34.95 33.91 3g3g s ARG 54 CO 0.27 -0.16 1.41 -0.51 0.02 0.00 0.00 175.30 176.33 3g3g s LEU 55 N 1.33 4.39 0.11 2.53 1.43 -1.26 -2.30 118.68 124.91 3g3g s LEU 55 Ca -0.03 2.46 -0.36 0.00 -1.03 0.00 0.00 54.13 55.17 3g3g s LEU 55 Cb -0.14 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 3g3g s LEU 55 CO -0.03 -0.66 1.40 0.55 0.23 0.00 0.00 176.35 177.85 3g3g n VAL 56 N 3.28 0.04 -0.01 -1.59 3.14 0.25 -4.85 118.33 118.59 3g3g n VAL 56 Ca 0.09 -0.01 -0.04 0.00 -2.96 0.00 0.00 64.34 61.43 3g3g n VAL 56 Cb 0.41 -1.03 0.20 0.00 -1.06 0.00 0.00 33.84 32.36 3g3g n VAL 56 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3g3g h GLU 57 N 4.91 0.56 -0.06 1.45 4.81 -1.91 -2.34 114.58 122.00 3g3g h GLU 57 Ca -0.47 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 3g3g h GLU 57 Cb 1.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3g3g h GLU 57 CO 0.81 0.71 0.00 -0.40 -0.73 0.00 0.00 179.01 179.40 3g3g n ASP 58 N -4.15 1.65 -0.64 1.04 5.75 -1.26 -4.95 116.55 113.98 3g3g n ASP 58 Ca 0.00 -1.58 -0.08 0.00 -0.01 0.00 0.00 54.79 53.12 3g3g n ASP 58 Cb 0.37 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 3g3g n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3g n GLY 59 N 1.18 1.00 3.47 6.12 0.00 -0.88 -4.95 105.19 111.13 3g3g n GLY 59 Ca 0.18 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.52 1.70 -0.06 1.61 1.02 -1.26 -5.00 119.74 115.23 3g3g s LYS 60 Ca 0.00 -1.56 -0.08 0.00 0.02 0.00 0.00 55.97 54.35 3g3g s LYS 60 Cb 0.00 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3g3g s LYS 60 CO 0.00 0.38 0.35 1.88 -0.92 0.00 0.00 175.35 177.04 3g3g h TYR 61 N 2.76 -0.27 0.00 3.18 0.05 -1.88 -2.27 116.97 118.54 3g3g h TYR 61 Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3g3g h TYR 61 Cb 1.23 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.06 3g3g h TYR 61 CO 0.72 -0.17 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 3g3g n GLY 62 N 1.01 3.91 3.24 3.88 0.00 -0.51 -1.45 105.19 115.26 3g3g n GLY 62 Ca -0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 0.06 -0.11 4.61 0.00 -1.22 -4.58 121.76 120.52 3g3g s ALA 63 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 3g3g s ALA 63 Cb 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 3g3g s ALA 63 CO 0.00 -0.54 0.32 -1.14 0.00 0.00 0.00 175.76 174.39 3g3g s GLN 64 N -3.93 4.07 0.11 0.00 0.74 -1.26 -2.17 119.66 117.22 3g3g s GLN 64 Ca 0.12 0.18 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 3g3g s GLN 64 Cb 0.05 -3.34 -0.07 0.00 1.10 0.00 0.00 33.01 30.75 3g3g s GLN 64 CO -0.05 0.42 1.22 0.34 -0.55 0.00 0.00 175.29 176.66 3g3g s ASP 65 N -0.12 7.06 0.23 6.67 2.15 0.32 -4.93 116.67 128.05 3g3g s ASP 65 Ca 0.19 2.12 -0.08 0.00 0.43 0.00 0.00 52.55 55.21 3g3g s ASP 65 Cb -0.14 -2.59 0.21 0.00 -0.30 0.00 0.00 42.92 40.11 3g3g s ASP 65 CO 0.07 -0.45 1.90 0.44 -0.17 0.00 0.00 175.17 176.96 3g3g h ASP 66 N 6.24 0.98 0.00 -0.34 3.45 -1.96 -1.49 116.42 123.30 3g3g h ASP 66 Ca -0.43 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 56.99 3g3g h ASP 66 Cb 1.21 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.74 3g3g h ASP 66 CO 0.79 0.71 -0.11 1.62 -1.57 0.00 0.00 179.24 180.68 3g3g h VAL 67 N 1.16 1.27 -0.02 -1.35 3.04 -1.98 -3.40 116.25 114.97 3g3g h VAL 67 Ca 0.32 -1.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 3g3g h VAL 67 Cb -0.11 2.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 3g3g h VAL 67 CO -0.08 0.43 -0.40 -0.46 -1.01 0.00 0.00 177.57 176.05 3g3g n ASN 68 N -4.64 1.97 0.00 3.17 0.23 -1.25 -4.97 115.26 109.77 3g3g n ASN 68 Ca -0.09 -1.48 0.00 0.00 -0.53 0.00 0.00 54.58 52.47 3g3g n ASN 68 Cb 0.38 0.44 0.00 0.00 -2.08 0.00 0.00 39.78 38.52 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 1.32 0.95 3.82 4.83 0.00 -0.56 -5.00 105.19 110.56 3g3g n GLY 69 Ca 0.09 0.00 -0.37 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 -0.03 4.21 0.51 1.61 -0.21 -1.26 -4.66 119.66 119.83 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 -2.98 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 3g3g s GLN 70 CO 0.00 0.47 0.80 -1.58 -2.12 0.00 0.00 175.29 172.86 3g3g s TRP 71 N -1.41 3.36 0.19 0.91 0.52 -1.26 -0.52 118.94 120.73 3g3g s TRP 71 Ca 0.39 0.60 0.02 0.00 0.02 0.00 0.00 56.10 57.13 3g3g s TRP 71 Cb -0.17 -2.46 -0.01 0.00 -1.15 0.00 0.00 33.47 29.68 3g3g s TRP 71 CO 0.21 -0.50 0.07 0.27 0.02 0.00 0.00 176.95 177.02 3g3g n ASN 72 N -2.33 1.03 0.00 2.95 0.23 -0.92 -4.71 115.26 111.50 3g3g n ASN 72 Ca 0.02 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3g3g n ASN 72 Cb 0.57 0.48 0.00 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.86 -0.09 0.27 4.83 0.00 -1.26 -1.78 105.19 108.02 3g3g n GLY 73 Ca -0.02 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 0.40 -0.13 1.61 2.86 -0.63 -2.03 114.93 117.02 3g3g h MET 74 Ca 0.00 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3g3g h MET 74 Cb 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3g3g h MET 74 CO 0.00 0.40 0.07 0.28 1.06 0.00 0.00 176.91 178.73 3g3g h VAL 75 N 0.40 1.09 -0.46 -2.22 2.07 -1.52 -1.59 116.25 114.02 3g3g h VAL 75 Ca 0.09 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 3g3g h VAL 75 Cb 0.21 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3g3g h VAL 75 CO 0.00 0.08 0.12 -0.09 0.02 0.00 0.00 177.57 177.70 3g3g h ARG 76 N 0.12 0.68 -0.61 1.57 9.65 -0.94 -0.89 114.38 123.96 3g3g h ARG 76 Ca 0.05 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3g3g h ARG 76 Cb 0.07 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3g3g h ARG 76 CO -0.01 0.62 0.24 0.93 2.80 0.00 0.00 179.97 184.56 3g3g h GLU 77 N 0.67 0.89 -0.10 0.20 5.08 -0.88 -1.20 114.58 119.24 3g3g h GLU 77 Ca 0.15 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3g3g h GLU 77 Cb 0.24 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3g3g h GLU 77 CO -0.00 0.73 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.60 3g3g h LEU 78 N 0.88 0.23 -0.95 1.33 3.38 -0.85 0.57 115.31 119.91 3g3g h LEU 78 Ca 0.21 -0.44 0.15 0.00 0.09 0.00 0.00 57.88 57.89 3g3g h LEU 78 Cb 0.17 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 3g3g h LEU 78 CO -0.02 0.62 0.56 0.40 0.09 0.00 0.00 178.44 180.09 3g3g h ILE 79 N -0.16 0.79 -0.28 1.22 2.04 -0.76 -1.25 117.51 119.11 3g3g h ILE 79 Ca 0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3g3g h ILE 79 Cb 0.54 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3g3g h ILE 79 CO 0.02 0.14 0.00 0.47 0.00 0.00 0.00 178.15 178.78 3g3g n ASP 80 N -4.75 1.82 -3.25 1.72 8.00 -0.49 -4.91 116.55 114.68 3g3g n ASP 80 Ca 0.20 -1.89 -0.23 0.00 0.71 0.00 0.00 54.79 53.58 3g3g n ASP 80 Cb 0.45 -0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.46 -2.01 0.99 1.24 8.25 -0.47 -4.86 115.22 118.81 3g3g n HIS 81 Ca 0.14 0.57 0.12 0.00 -0.26 0.00 0.00 57.72 58.29 3g3g n HIS 81 Cb 0.31 -3.98 0.33 0.00 1.12 0.00 0.00 29.99 27.77 3g3g n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3g n LYS 82 N -4.06 0.01 -3.94 -0.41 5.02 0.16 -4.83 118.16 110.11 3g3g n LYS 82 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 3g3g n LYS 82 Cb 0.58 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 3g3g n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3g s ALA 83 N -3.01 -0.05 -0.01 7.82 0.00 -1.17 -4.96 121.76 120.38 3g3g s ALA 83 Ca 0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 3g3g s ALA 83 Cb 0.18 0.17 -0.29 0.00 0.00 0.00 0.00 23.12 23.17 3g3g s ALA 83 CO 0.66 -0.22 0.80 -0.44 0.00 0.00 0.00 175.76 176.56 3g3g h ASP 84 N 4.22 0.51 -5.03 0.00 3.32 -0.96 -3.42 116.42 115.05 3g3g h ASP 84 Ca -0.32 -0.71 -0.16 0.00 0.02 0.00 0.00 57.03 55.86 3g3g h ASP 84 Cb 1.19 -0.17 -0.18 0.00 0.22 0.00 0.00 39.33 40.40 3g3g h ASP 84 CO 0.44 1.59 -0.69 -0.76 -1.72 0.00 0.00 179.24 178.10 3g3g s LEU 85 N -7.14 2.37 -0.24 1.55 1.43 -0.98 -4.30 118.68 111.36 3g3g s LEU 85 Ca -0.11 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 3g3g s LEU 85 Cb 0.06 0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.41 3g3g s LEU 85 CO 0.86 -0.43 -0.08 0.00 0.23 0.00 0.00 176.35 176.93 3g3g s ALA 86 N -2.69 2.65 -0.35 4.21 0.00 0.20 -0.76 121.76 125.01 3g3g s ALA 86 Ca -0.03 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.47 3g3g s ALA 86 Cb -0.01 -1.63 0.10 0.00 0.00 0.00 0.00 23.12 21.58 3g3g s ALA 86 CO -0.05 -0.81 0.08 0.08 0.00 0.00 0.00 175.76 175.06 3g3g s VAL 87 N 1.30 2.58 0.16 0.00 1.01 -0.80 -1.41 120.40 123.23 3g3g s VAL 87 Ca -0.00 -2.17 -0.24 0.00 0.00 0.00 0.00 61.98 59.56 3g3g s VAL 87 Cb -0.17 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.47 3g3g s VAL 87 CO -0.05 -0.56 0.99 0.00 0.00 0.00 0.00 175.10 175.48 3g3g s ALA 88 N 1.00 -1.65 -1.18 5.51 0.00 -1.26 -4.59 121.76 119.58 3g3g s ALA 88 Ca 0.08 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 3g3g s ALA 88 Cb -0.20 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 3g3g s ALA 88 CO -0.06 -1.05 2.09 -0.35 0.00 0.00 0.00 175.76 176.39 3g3g n PRO 89 N -0.53 2.32 -3.63 0.00 -0.04 -1.26 -4.73 135.00 127.13 3g3g n PRO 89 Ca -0.06 -2.33 -0.40 0.00 -0.04 0.00 0.00 63.50 60.68 3g3g n PRO 89 Cb 0.60 -3.16 -0.11 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.02 4.48 0.21 1.53 2.96 -1.26 -5.03 118.68 123.58 3g3g s LEU 90 Ca 0.52 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 3g3g s LEU 90 Cb 0.14 -2.01 -0.09 0.00 0.50 0.00 0.00 46.19 44.74 3g3g s LEU 90 CO -0.00 -0.32 1.25 0.00 -1.32 0.00 0.00 176.35 175.97 3g3g s ALA 91 N 1.56 3.48 -0.31 5.97 0.00 -1.26 -1.99 121.76 129.21 3g3g s ALA 91 Ca 0.03 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 3g3g s ALA 91 Cb -0.18 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.50 3g3g s ALA 91 CO 0.06 -0.46 1.11 0.42 0.00 0.00 0.00 175.76 176.90 3g3g s ILE 92 N -0.11 4.44 0.15 0.00 1.01 0.06 -4.90 121.20 121.86 3g3g s ILE 92 Ca 0.54 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.89 3g3g s ILE 92 Cb -0.35 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 3g3g s ILE 92 CO 0.39 -0.48 -0.08 0.42 0.00 0.00 0.00 174.94 175.18 3g3g s THR 93 N 3.76 1.06 0.14 2.92 -4.23 -1.26 -4.50 115.64 113.53 3g3g s THR 93 Ca 0.47 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.71 3g3g s THR 93 Cb -0.13 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 3g3g s THR 93 CO 0.17 -0.72 1.65 0.22 -0.54 0.00 0.00 174.62 175.39 3g3g h TYR 94 N 2.78 -0.54 -0.13 3.99 3.20 -1.99 -0.39 116.97 123.89 3g3g h TYR 94 Ca -0.36 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.42 3g3g h TYR 94 Cb 1.19 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 3g3g h TYR 94 CO 0.63 -0.29 -0.41 -0.39 -1.64 0.00 0.00 178.16 176.06 3g3g h VAL 95 N -0.26 1.31 -0.19 1.81 -1.51 -2.00 -2.95 116.25 112.45 3g3g h VAL 95 Ca 0.10 -1.54 -0.19 0.00 -1.23 0.00 0.00 66.70 63.84 3g3g h VAL 95 Cb 0.41 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 3g3g h VAL 95 CO -0.28 0.47 -0.64 0.03 -1.23 0.00 0.00 177.57 175.91 3g3g h ARG 96 N 0.25 0.70 0.00 5.19 3.08 -1.86 -3.11 114.38 118.62 3g3g h ARG 96 Ca 0.02 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3g3g h ARG 96 Cb 0.84 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3g3g h ARG 96 CO 0.07 1.12 -0.01 1.49 -1.07 0.00 0.00 179.97 181.57 3g3g h GLU 97 N 0.51 0.00 0.00 0.04 4.57 -0.91 -0.02 114.58 118.77 3g3g h GLU 97 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3g3g h GLU 97 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3g3g h GLU 97 CO 0.13 0.01 0.00 0.87 -1.18 0.00 0.00 179.01 178.83 3g3g h LYS 98 N 0.00 0.00 0.00 1.92 1.57 -1.46 -3.37 116.57 115.23 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3g3g h LYS 98 CO 0.00 0.00 -0.84 1.33 -0.57 0.00 0.00 179.45 179.37 3g3g n VAL 99 N -2.83 0.00 -4.42 0.50 0.24 -0.35 -5.06 118.33 106.40 3g3g n VAL 99 Ca 0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.12 3g3g n VAL 99 Cb 0.35 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.71 1.13 0.13 1.34 -4.36 -0.17 -4.32 121.20 113.25 3g3g s ILE 100 Ca 0.00 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.42 3g3g s ILE 100 Cb 0.00 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3g3g s ILE 100 CO 0.00 -0.05 0.16 -1.81 0.24 0.00 0.00 174.94 173.48 3g3g s ASP 101 N -3.45 5.76 0.02 4.36 1.01 -0.38 -4.32 116.67 119.68 3g3g s ASP 101 Ca 0.35 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.66 3g3g s ASP 101 Cb 0.08 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 3g3g s ASP 101 CO 0.14 0.10 -0.15 -0.36 0.21 0.00 0.00 175.17 175.11 3g3g s PHE 102 N -1.65 1.30 1.05 4.23 0.08 -1.26 -0.94 117.98 120.79 3g3g s PHE 102 Ca 0.32 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 3g3g s PHE 102 Cb -0.11 -0.80 0.22 0.00 -0.57 0.00 0.00 43.02 41.76 3g3g s PHE 102 CO 0.25 0.01 1.07 -1.54 -0.10 0.00 0.00 175.22 174.91 3g3g s SER 103 N -0.77 1.92 0.91 1.36 1.04 -0.00 -4.94 113.70 113.22 3g3g s SER 103 Ca 0.04 1.71 -0.11 0.00 0.48 0.00 0.00 55.95 58.07 3g3g s SER 103 Cb -0.07 -2.36 0.14 0.00 0.10 0.00 0.00 66.02 63.83 3g3g s SER 103 CO 0.00 -3.65 1.11 -0.54 0.98 0.00 0.00 173.24 171.14 3g3g s LYS 104 N -4.59 1.07 0.40 4.02 1.02 -1.26 -4.47 119.74 115.93 3g3g s LYS 104 Ca 0.67 1.21 -0.25 0.00 0.02 0.00 0.00 55.97 57.62 3g3g s LYS 104 Cb -0.23 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 3g3g s LYS 104 CO 0.61 -2.48 1.19 -2.14 -0.92 0.00 0.00 175.35 171.61 3g3g s PRO 105 N -4.74 4.05 0.00 -1.68 0.02 -1.26 -4.60 135.00 126.80 3g3g s PRO 105 Ca 0.65 1.89 0.22 0.00 0.02 0.00 0.00 61.00 63.78 3g3g s PRO 105 Cb -0.21 -2.70 -0.00 0.00 0.02 0.00 0.00 34.50 31.61 3g3g s PRO 105 CO 0.58 -0.33 1.04 1.97 -0.33 0.00 0.00 177.00 179.93 3g3g n PHE 106 N 0.11 0.02 -3.58 6.54 1.16 -0.18 -4.96 117.46 116.57 3g3g n PHE 106 Ca 0.04 0.01 -0.16 0.00 -1.87 0.00 0.00 57.45 55.47 3g3g n PHE 106 Cb 0.46 -0.12 -0.06 0.00 -1.61 0.00 0.00 39.48 38.15 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 -3.03 0.98 0.09 3.97 0.00 -1.25 -5.01 119.30 115.05 3g3g s MET 107 Ca 0.08 0.03 0.10 0.00 0.00 0.00 0.00 55.69 55.90 3g3g s MET 107 Cb 0.16 0.45 -0.03 0.00 0.00 0.00 0.00 34.83 35.41 3g3g s MET 107 CO 0.82 -0.31 -0.26 -0.08 0.00 0.00 0.00 175.02 175.18 3g3g s THR 108 N -1.57 2.17 0.27 10.11 -1.32 -1.26 -1.23 115.64 122.81 3g3g s THR 108 Ca -0.10 -1.58 -0.15 0.00 -1.21 0.00 0.00 61.69 58.65 3g3g s THR 108 Cb -0.01 -1.89 0.06 0.00 -1.51 0.00 0.00 72.50 69.14 3g3g s THR 108 CO 0.06 0.20 0.75 0.00 -2.21 0.00 0.00 174.62 173.42 3g3g n LEU 109 N 1.31 0.00 -3.77 9.08 -0.00 -0.09 -4.88 117.00 118.63 3g3g n LEU 109 Ca -0.18 -1.86 -0.09 0.00 -0.00 0.00 0.00 56.01 53.88 3g3g n LEU 109 Cb 0.53 2.97 -0.04 0.00 -0.00 0.00 0.00 43.42 46.88 3g3g n LEU 109 CO 0.23 -0.62 0.30 -0.83 -0.00 0.00 0.00 177.39 176.47 3g3g s GLY 110 N -2.94 -0.04 0.30 1.47 0.00 -1.26 -1.03 107.32 103.82 3g3g s GLY 110 Ca 0.16 -0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.31 3g3g s GLY 110 CO 0.08 -0.25 1.25 -0.42 0.00 0.00 0.00 173.10 173.76 3g3g s ILE 111 N -3.89 2.97 0.00 0.90 1.01 -1.26 -0.50 121.20 120.43 3g3g s ILE 111 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.71 3g3g s ILE 111 Cb -0.02 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3g3g s ILE 111 CO -0.00 0.22 0.00 -0.24 0.00 0.00 0.00 174.94 174.92 3g3g n SER 112 N 1.11 0.00 -4.21 3.58 2.88 0.12 -0.50 113.62 116.60 3g3g n SER 112 Ca 0.00 -0.59 -0.31 0.00 -1.33 0.00 0.00 58.87 56.64 3g3g n SER 112 Cb 0.43 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.99 1.99 -0.20 2.46 1.01 -1.24 -1.45 121.20 121.79 3g3g s ILE 113 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 3g3g s ILE 113 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3g3g s ILE 113 CO 0.00 0.55 0.09 -0.22 0.00 0.00 0.00 174.94 175.35 3g3g s LEU 114 N 0.33 3.89 0.28 2.97 2.96 0.36 -0.67 118.68 128.80 3g3g s LEU 114 Ca -0.18 0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 3g3g s LEU 114 Cb -0.18 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.52 3g3g s LEU 114 CO 0.08 0.15 0.52 -0.47 -1.32 0.00 0.00 176.35 175.31 3g3g s TYR 115 N 0.54 0.42 0.42 5.38 5.04 -0.66 -0.95 117.35 127.53 3g3g s TYR 115 Ca 0.05 -0.79 -0.24 0.00 -2.44 0.00 0.00 57.07 53.64 3g3g s TYR 115 Cb -0.12 0.24 -0.08 0.00 0.35 0.00 0.00 41.96 42.34 3g3g s TYR 115 CO 0.01 -1.09 1.13 1.03 -1.34 0.00 0.00 175.55 175.29 3g3g s ARG 116 N -3.70 3.98 0.77 4.97 0.52 -1.26 -1.08 118.95 123.14 3g3g s ARG 116 Ca 0.22 1.70 -0.15 0.00 -0.52 0.00 0.00 55.73 56.99 3g3g s ARG 116 Cb -0.01 -2.53 0.04 0.00 0.52 0.00 0.00 34.95 32.97 3g3g s ARG 116 CO 0.11 -0.35 1.07 1.63 0.02 0.00 0.00 175.30 177.78 3g3g n LYS 117 N -0.19 0.36 -1.10 3.54 5.02 -0.48 -4.61 118.16 120.70 3g3g n LYS 117 Ca 0.06 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3g3g n LYS 117 Cb 0.48 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 3g3g n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3g n GLY 118 N 0.85 -0.04 3.35 0.72 0.00 -1.26 -5.05 105.19 103.77 3g3g n GLY 118 Ca 0.13 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3g3g n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g3g s THR 119 N -2.54 0.04 -1.61 2.61 -1.32 -1.26 -5.01 115.64 106.55 3g3g s THR 119 Ca 0.00 -0.32 0.28 0.00 -1.21 0.00 0.00 61.69 60.44 3g3g s THR 119 Cb 0.00 -0.83 0.38 0.00 -1.51 0.00 0.00 72.50 70.54 3g3g s THR 119 CO 0.00 -0.18 1.77 -0.81 -2.21 0.00 0.00 174.62 173.19 3g3g n PRO 120 N 0.93 0.65 -2.07 7.08 -0.04 -1.26 -4.86 135.00 135.44 3g3g n PRO 120 Ca -0.20 -0.27 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 3g3g n PRO 120 Cb 0.57 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 3g3g n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g3g s ILE 121 N -2.53 3.42 0.00 0.52 -1.09 -1.26 -4.88 121.20 115.38 3g3g s ILE 121 Ca 0.26 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 3g3g s ILE 121 Cb 0.20 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3g3g s ILE 121 CO 0.50 -0.01 0.25 -0.67 -1.23 0.00 0.00 174.94 173.77 3g3g n ASP 122 N 5.76 0.50 -3.70 3.58 2.03 -1.26 -4.85 116.55 118.60 3g3g n ASP 122 Ca 0.15 -0.75 -0.04 0.00 0.52 0.00 0.00 54.79 54.67 3g3g n ASP 122 Cb 0.42 0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 41.23 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 -0.42 -0.20 0.29 1.67 1.04 -1.26 -3.13 113.70 111.69 3g3g s SER 123 Ca 0.00 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 3g3g s SER 123 Cb 0.00 0.45 0.40 0.00 0.10 0.00 0.00 66.02 66.97 3g3g s SER 123 CO 0.00 -0.81 1.96 0.00 0.98 0.00 0.00 173.24 175.36 3g3g h ALA 124 N 2.00 1.37 -0.70 5.32 0.00 -1.97 -2.28 119.26 123.00 3g3g h ALA 124 Ca -0.24 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3g3g h ALA 124 Cb 1.23 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3g3g h ALA 124 CO 0.26 0.57 0.36 0.22 0.00 0.00 0.00 179.25 180.67 3g3g h ASP 125 N 1.16 0.49 -0.64 0.00 3.58 -1.95 0.86 116.42 119.92 3g3g h ASP 125 Ca 0.31 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.74 3g3g h ASP 125 Cb -0.12 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 3g3g h ASP 125 CO -0.07 0.29 0.10 0.44 -2.88 0.00 0.00 179.24 177.13 3g3g h ASP 126 N 0.63 1.03 -0.52 2.28 3.32 -1.82 -2.37 116.42 118.98 3g3g h ASP 126 Ca 0.34 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3g3g h ASP 126 Cb 0.32 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3g3g h ASP 126 CO -0.25 1.02 0.19 -0.07 -1.72 0.00 0.00 179.24 178.42 3g3g h LEU 127 N 1.01 0.73 -1.60 1.55 3.38 -0.90 -3.15 115.31 116.32 3g3g h LEU 127 Ca 0.20 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3g3g h LEU 127 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3g3g h LEU 127 CO 0.01 0.71 -0.22 0.00 0.09 0.00 0.00 178.44 179.04 3g3g h ALA 128 N 1.04 1.53 0.00 1.53 0.00 -0.55 -2.52 119.26 120.29 3g3g h ALA 128 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g3g h ALA 128 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g3g h ALA 128 CO -0.01 0.27 0.00 1.63 0.00 0.00 0.00 179.25 181.14 3g3g n LYS 129 N -4.11 0.50 -4.25 0.00 5.02 -0.92 -4.86 118.16 109.53 3g3g n LYS 129 Ca -0.02 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 3g3g n LYS 129 Cb 0.28 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3g3g n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g3g s GLN 130 N -2.42 1.29 0.00 1.97 1.03 -0.95 -5.07 119.66 115.51 3g3g s GLN 130 Ca 0.29 -1.69 0.00 0.00 0.04 0.00 0.00 55.36 54.00 3g3g s GLN 130 Cb 0.18 0.02 0.00 0.00 0.03 0.00 0.00 33.01 33.24 3g3g s GLN 130 CO 0.38 -0.34 0.09 0.25 -2.54 0.00 0.00 175.29 173.13 3g3g n THR 131 N -0.36 0.00 -0.17 3.63 -2.24 -1.26 -4.84 114.28 109.05 3g3g n THR 131 Ca 0.01 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 3g3g n THR 131 Cb 0.66 1.48 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 3g3g n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g3g h LYS 132 N 0.00 0.77 -5.56 -0.78 3.64 -1.97 -3.37 116.57 109.29 3g3g h LYS 132 Ca 0.00 -0.18 -0.62 0.00 -1.27 0.00 0.00 60.65 58.58 3g3g h LYS 132 Cb 0.24 -0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 3g3g h LYS 132 CO 0.00 0.75 0.20 0.42 -2.27 0.00 0.00 179.45 178.55 3g3g s ILE 133 N -5.32 4.87 0.70 2.00 1.01 -1.26 -4.95 121.20 118.26 3g3g s ILE 133 Ca -0.13 0.77 -0.11 0.00 0.00 0.00 0.00 60.65 61.18 3g3g s ILE 133 Cb 0.11 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3g3g s ILE 133 CO 0.79 -0.27 1.07 -1.61 0.00 0.00 0.00 174.94 174.91 3g3g s GLU 134 N 2.76 2.91 0.06 2.79 2.02 -0.80 -4.87 118.70 123.57 3g3g s GLU 134 Ca 0.26 0.78 -0.17 0.00 0.02 0.00 0.00 54.97 55.86 3g3g s GLU 134 Cb -0.14 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.12 3g3g s GLU 134 CO 0.14 -1.07 0.39 1.52 0.02 0.00 0.00 175.26 176.25 3g3g s TYR 135 N -3.14 -0.21 0.00 1.61 1.13 -1.26 -0.79 117.35 114.69 3g3g s TYR 135 Ca 0.58 0.09 0.00 0.00 -1.41 0.00 0.00 57.07 56.33 3g3g s TYR 135 Cb -0.13 0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 3g3g s TYR 135 CO 0.54 -0.59 0.00 0.41 -2.51 0.00 0.00 175.55 173.41 3g3g n GLY 136 N 0.35 1.57 3.83 5.49 0.00 -1.11 -4.73 105.19 110.60 3g3g n GLY 136 Ca -0.18 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.10 0.08 4.61 0.00 -1.18 -0.80 121.76 122.36 3g3g s ALA 137 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 3g3g s ALA 137 Cb 0.00 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 23.90 3g3g s ALA 137 CO 0.00 -1.02 1.49 0.08 0.00 0.00 0.00 175.76 176.31 3g3g s VAL 138 N -3.82 3.25 0.27 0.00 1.01 -1.26 -1.69 120.40 118.16 3g3g s VAL 138 Ca 0.12 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3g3g s VAL 138 Cb -0.05 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 3g3g s VAL 138 CO 0.08 0.03 1.46 -0.70 0.00 0.00 0.00 175.10 175.96 3g3g s GLU 139 N 1.90 4.23 -1.24 2.72 2.12 0.66 -3.31 118.70 125.79 3g3g s GLU 139 Ca 0.68 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.38 3g3g s GLU 139 Cb -0.37 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3g3g s GLU 139 CO 0.30 -0.45 0.00 -0.25 -0.54 0.00 0.00 175.26 174.32 3g3g n ASP 140 N 2.03 -4.32 -3.01 -1.70 8.00 -1.26 -4.81 116.55 111.47 3g3g n ASP 140 Ca 0.06 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.52 3g3g n ASP 140 Cb 0.40 -3.38 -0.02 0.00 -0.02 0.00 0.00 41.12 38.10 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 -1.09 3.66 0.23 0.44 0.00 -1.21 -1.43 105.19 105.79 3g3g n GLY 141 Ca -0.16 -2.25 -0.05 0.00 0.00 0.00 0.00 46.02 43.56 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 0.98 1.01 -0.13 4.61 0.00 -1.88 -1.74 119.26 122.12 3g3g h ALA 142 Ca -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3g3g h ALA 142 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3g3g h ALA 142 CO 0.24 0.59 -0.03 1.15 0.00 0.00 0.00 179.25 181.20 3g3g h THR 143 N 0.42 1.29 -0.30 0.00 2.02 -1.95 -0.05 112.91 114.33 3g3g h THR 143 Ca 0.05 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.30 3g3g h THR 143 Cb 0.76 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3g3g h THR 143 CO 0.06 0.28 0.02 -0.03 0.37 0.00 0.00 175.52 176.23 3g3g h MET 144 N -0.06 0.12 -0.84 6.66 -1.53 -1.71 -2.07 114.93 115.50 3g3g h MET 144 Ca 0.03 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 3g3g h MET 144 Cb 0.46 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.44 3g3g h MET 144 CO 0.01 0.08 0.40 1.15 0.14 0.00 0.00 176.91 178.69 3g3g h THR 145 N 0.12 1.26 -0.23 -0.77 2.02 -1.10 -0.36 112.91 113.84 3g3g h THR 145 Ca 0.14 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.63 3g3g h THR 145 Cb 0.18 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 3g3g h THR 145 CO -0.22 0.32 -0.05 0.15 0.37 0.00 0.00 175.52 176.08 3g3g h PHE 146 N 1.20 -0.12 -0.60 3.16 3.57 -0.50 -0.89 116.94 122.77 3g3g h PHE 146 Ca 0.29 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 3g3g h PHE 146 Cb 0.13 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3g3g h PHE 146 CO 0.02 -0.10 -0.00 0.74 -2.23 0.00 0.00 178.31 176.74 3g3g h PHE 147 N 0.00 1.16 -0.42 0.41 0.04 -1.00 -1.76 116.94 115.37 3g3g h PHE 147 Ca 0.11 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 3g3g h PHE 147 Cb 0.17 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3g3g h PHE 147 CO -0.24 1.02 0.06 -0.22 -0.60 0.00 0.00 178.31 178.33 3g3g h LYS 148 N 0.96 0.64 0.00 1.51 3.64 -0.77 -2.65 116.57 119.90 3g3g h LYS 148 Ca 0.17 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3g3g h LYS 148 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3g3g h LYS 148 CO 0.03 0.62 -0.58 0.54 -2.27 0.00 0.00 179.45 177.80 3g3g n ARG 149 N -4.28 0.25 -2.53 1.90 1.74 -0.37 -4.97 116.66 108.40 3g3g n ARG 149 Ca 0.02 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 3g3g n ARG 149 Cb 0.23 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 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 -4.06 7.32 0.00 0.55 0.15 -0.67 -4.92 113.70 112.07 3g3g s SER 150 Ca 0.07 2.14 0.22 0.00 0.70 0.00 0.00 55.95 59.08 3g3g s SER 150 Cb 0.14 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 62.01 3g3g s SER 150 CO 0.71 -0.14 1.20 0.29 1.20 0.00 0.00 173.24 176.50 3g3g n LYS 151 N 1.82 2.07 -2.34 5.44 5.02 -1.26 -4.23 118.16 124.67 3g3g n LYS 151 Ca 0.01 -1.82 -0.42 0.00 -2.02 0.00 0.00 58.31 54.06 3g3g n LYS 151 Cb 0.46 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.83 3.67 0.13 -0.18 1.01 -1.26 -4.88 121.20 117.85 3g3g s ILE 152 Ca 0.26 1.28 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 3g3g s ILE 152 Cb 0.18 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3g3g s ILE 152 CO 0.28 0.15 1.67 -1.28 0.00 0.00 0.00 174.94 175.75 3g3g h SER 153 N 6.09 -0.46 -0.44 3.58 0.87 -1.99 0.22 113.55 121.42 3g3g h SER 153 Ca -0.43 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3g3g h SER 153 Cb 1.21 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 3g3g h SER 153 CO 0.79 -0.19 0.15 0.74 -0.53 0.00 0.00 176.83 177.79 3g3g h THR 154 N -0.19 0.85 -0.08 2.23 2.02 -1.99 -1.67 112.91 114.09 3g3g h THR 154 Ca 0.09 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 66.98 3g3g h THR 154 Cb 0.32 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3g3g h THR 154 CO -0.23 0.06 -0.73 1.88 0.37 0.00 0.00 175.52 176.86 3g3g h TYR 155 N 0.31 0.55 -0.25 3.16 0.05 -1.70 -1.82 116.97 117.28 3g3g h TYR 155 Ca 0.21 -0.25 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 3g3g h TYR 155 Cb 0.21 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 3g3g h TYR 155 CO -0.16 1.00 -0.22 0.38 -1.05 0.00 0.00 178.16 178.12 3g3g h ASP 156 N 0.28 0.45 -0.36 3.88 3.04 -0.84 -0.38 116.42 122.49 3g3g h ASP 156 Ca -0.03 -0.14 -0.03 0.00 -3.24 0.00 0.00 57.03 53.59 3g3g h ASP 156 Cb 1.31 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 39.46 3g3g h ASP 156 CO 0.13 0.68 0.12 0.50 -2.04 0.00 0.00 179.24 178.62 3g3g h LYS 157 N 0.41 0.56 -0.56 4.15 3.64 -1.16 -1.55 116.57 122.06 3g3g h LYS 157 Ca 0.07 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3g3g h LYS 157 Cb 0.61 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3g3g h LYS 157 CO 0.04 0.58 0.34 0.52 -2.27 0.00 0.00 179.45 178.66 3g3g h MET 158 N 0.44 0.77 -0.61 1.90 2.86 -1.05 -2.54 114.93 116.69 3g3g h MET 158 Ca 0.12 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3g3g h MET 158 Cb 0.25 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3g3g h MET 158 CO -0.00 0.56 0.22 2.35 1.06 0.00 0.00 176.91 181.09 3g3g h TRP 159 N 0.76 0.96 -0.86 -0.22 2.91 -0.87 -0.69 115.95 117.94 3g3g h TRP 159 Ca 0.20 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 60.22 3g3g h TRP 159 Cb -0.01 -0.28 -0.07 0.00 -0.51 0.00 0.00 29.16 28.29 3g3g h TRP 159 CO -0.02 0.78 0.51 0.00 -1.03 0.00 0.00 178.44 178.68 3g3g h ALA 160 N 1.08 1.21 -0.10 2.65 0.00 -0.98 0.15 119.26 123.27 3g3g h ALA 160 Ca 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3g3g h ALA 160 Cb 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3g3g h ALA 160 CO -0.01 0.18 0.00 0.35 0.00 0.00 0.00 179.25 179.77 3g3g h PHE 161 N 0.88 0.19 -0.63 0.00 3.57 -1.09 -1.80 116.94 118.06 3g3g h PHE 161 Ca 0.40 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 3g3g h PHE 161 Cb 0.30 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3g3g h PHE 161 CO -0.04 0.43 0.39 0.52 -2.23 0.00 0.00 178.31 177.37 3g3g h MET 162 N -0.10 0.84 -0.36 1.11 2.86 -0.70 -1.19 114.93 117.40 3g3g h MET 162 Ca 0.03 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3g3g h MET 162 Cb 0.35 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3g3g h MET 162 CO 0.01 0.59 0.15 0.66 1.06 0.00 0.00 176.91 179.38 3g3g h SER 163 N 0.85 0.48 -0.77 1.22 4.64 -0.72 0.62 113.55 119.87 3g3g h SER 163 Ca 0.23 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3g3g h SER 163 Cb -0.05 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 3g3g h SER 163 CO -0.04 0.50 0.49 0.77 -0.87 0.00 0.00 176.83 177.67 3g3g h SER 164 N 0.43 0.91 -0.53 4.97 4.64 -1.04 -2.80 113.55 120.13 3g3g h SER 164 Ca 0.12 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3g3g h SER 164 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3g3g h SER 164 CO -0.01 0.69 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 3g3g n ARG 165 N -4.51 3.95 0.25 4.77 1.74 -0.47 -4.75 116.66 117.64 3g3g n ARG 165 Ca 0.07 -2.64 0.10 0.00 -0.77 0.00 0.00 57.85 54.62 3g3g n ARG 165 Cb 0.04 -2.01 0.70 0.00 -1.02 0.00 0.00 32.46 30.16 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 3.54 0.00 0.00 5.56 0.11 -0.59 -0.46 114.38 122.53 3g3g h ARG 166 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3g3g h ARG 166 Cb 1.57 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.65 3g3g h ARG 166 CO 0.33 0.00 -0.12 1.96 0.10 0.00 0.00 179.97 182.24 3g3g h GLN 167 N 0.00 0.00 0.03 0.08 1.08 -1.86 -1.99 115.11 112.45 3g3g h GLN 167 Ca 0.02 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.84 3g3g h GLN 167 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 3g3g h GLN 167 CO -0.00 0.12 -2.32 0.45 -0.95 0.00 0.00 178.83 176.12 3g3g n SER 168 N -3.28 1.80 -0.01 1.46 2.88 -0.31 -4.74 113.62 111.43 3g3g n SER 168 Ca 0.00 -0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.63 3g3g n SER 168 Cb 0.36 -0.38 -0.15 0.00 -0.75 0.00 0.00 64.21 63.29 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 -3.26 0.00 -3.31 2.46 0.24 -0.47 -4.85 118.33 109.14 3g3g n VAL 169 Ca -0.40 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.34 61.20 3g3g n VAL 169 Cb 1.02 0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 33.71 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 4.36 0.38 1.34 1.43 -0.76 -3.13 118.68 118.39 3g3g s LEU 170 Ca -0.02 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.10 3g3g s LEU 170 Cb 0.14 -2.76 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 3g3g s LEU 170 CO 0.86 0.09 0.02 0.68 0.23 0.00 0.00 176.35 178.24 3g3g s VAL 171 N 0.03 1.75 -0.97 -1.59 -7.23 -0.68 -4.83 120.40 106.88 3g3g s VAL 171 Ca 0.27 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.68 3g3g s VAL 171 Cb -0.16 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 3g3g s VAL 171 CO 0.13 -0.00 1.18 0.29 -0.31 0.00 0.00 175.10 176.40 3g3g n LYS 172 N -0.88 0.02 -3.65 4.82 4.76 -1.26 -0.24 118.16 121.73 3g3g n LYS 172 Ca -0.04 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.30 3g3g n LYS 172 Cb 0.67 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3g3g n LYS 172 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3g3g s SER 173 N -3.07 -0.34 0.23 4.39 1.04 -1.26 -4.84 113.70 109.86 3g3g s SER 173 Ca 0.09 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 3g3g s SER 173 Cb 0.17 0.58 0.22 0.00 0.10 0.00 0.00 66.02 67.08 3g3g s SER 173 CO 0.77 -1.02 1.88 0.78 0.98 0.00 0.00 173.24 176.64 3g3g h ASN 174 N 2.16 1.10 -0.69 7.02 2.35 -1.94 -2.12 115.58 123.46 3g3g h ASN 174 Ca -0.30 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 3g3g h ASN 174 Cb 1.27 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 3g3g h ASN 174 CO 0.38 0.85 0.44 -0.08 -1.65 0.00 0.00 177.43 177.37 3g3g h GLU 175 N 1.27 0.92 -0.38 0.81 4.57 -1.97 -0.21 114.58 119.59 3g3g h GLU 175 Ca 0.33 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.33 3g3g h GLU 175 Cb -0.06 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.32 3g3g h GLU 175 CO -0.06 0.63 -0.21 1.49 -1.18 0.00 0.00 179.01 179.68 3g3g h GLU 176 N 0.95 0.75 -0.59 1.92 4.81 -1.83 -1.49 114.58 119.09 3g3g h GLU 176 Ca 0.25 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3g3g h GLU 176 Cb -0.07 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3g3g h GLU 176 CO -0.05 0.89 0.12 0.78 -0.73 0.00 0.00 179.01 180.02 3g3g h GLY 177 N 0.97 1.04 0.98 1.92 0.00 -0.67 -1.35 103.07 105.96 3g3g h GLY 177 Ca 0.10 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3g3g h GLY 177 CO 0.05 0.63 0.26 -2.22 0.00 0.00 0.00 176.54 175.26 3g3g h ILE 178 N 0.87 1.17 -0.37 2.60 2.04 -0.75 -1.10 117.51 121.97 3g3g h ILE 178 Ca 0.18 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3g3g h ILE 178 Cb 0.39 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3g3g h ILE 178 CO 0.01 0.19 0.03 1.56 0.00 0.00 0.00 178.15 179.94 3g3g h GLN 179 N 0.64 0.57 -0.37 2.37 1.08 -0.98 -1.16 115.11 117.27 3g3g h GLN 179 Ca 0.17 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.14 3g3g h GLN 179 Cb 0.07 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3g3g h GLN 179 CO -0.03 0.57 -0.24 -0.09 -0.95 0.00 0.00 178.83 178.10 3g3g h ARG 180 N 0.55 0.73 -0.85 1.46 9.65 -0.66 -1.34 114.38 123.92 3g3g h ARG 180 Ca 0.12 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 3g3g h ARG 180 Cb 0.30 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 3g3g h ARG 180 CO 0.01 0.90 0.48 0.28 2.80 0.00 0.00 179.97 184.43 3g3g h VAL 181 N 0.64 1.24 0.00 0.20 2.07 -0.54 -1.91 116.25 117.95 3g3g h VAL 181 Ca 0.09 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3g3g h VAL 181 Cb 0.74 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3g3g h VAL 181 CO 0.06 0.27 -0.27 -0.07 0.02 0.00 0.00 177.57 177.58 3g3g h LEU 182 N 1.19 0.00 -1.76 2.57 3.38 -0.83 -3.35 115.31 116.50 3g3g h LEU 182 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3g3g h LEU 182 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3g3g h LEU 182 CO -0.05 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.08 3g3g n THR 183 N -3.16 0.35 -3.89 0.22 -2.24 -0.54 -5.05 114.28 99.97 3g3g n THR 183 Ca 0.03 -0.68 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3g3g n THR 183 Cb 0.64 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.47 -0.13 -1.11 3.42 1.04 -0.74 -5.04 113.70 110.67 3g3g s SER 184 Ca 0.03 -0.81 -0.18 0.00 0.48 0.00 0.00 55.95 55.48 3g3g s SER 184 Cb 0.02 0.72 0.12 0.00 0.10 0.00 0.00 66.02 66.98 3g3g s SER 184 CO 0.03 -1.37 1.41 -0.62 0.98 0.00 0.00 173.24 173.66 3g3g s ASP 185 N -2.98 6.80 -0.11 7.02 2.15 -1.26 -4.59 116.67 123.70 3g3g s ASP 185 Ca 0.15 -2.34 -0.08 0.00 0.43 0.00 0.00 52.55 50.71 3g3g s ASP 185 Cb -0.05 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 3g3g s ASP 185 CO 0.09 -1.05 0.28 -0.47 -0.17 0.00 0.00 175.17 173.84 3g3g s TYR 186 N 3.01 -0.35 -0.08 -5.34 6.14 -1.26 -1.91 117.35 117.57 3g3g s TYR 186 Ca 0.42 0.82 0.01 0.00 0.64 0.00 0.00 57.07 58.96 3g3g s TYR 186 Cb -0.02 0.10 -0.03 0.00 0.42 0.00 0.00 41.96 42.44 3g3g s TYR 186 CO -0.03 -0.20 -0.09 0.00 0.64 0.00 0.00 175.55 175.87 3g3g s ALA 187 N 0.69 2.87 -0.16 3.97 0.00 0.03 -4.37 121.76 124.79 3g3g s ALA 187 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3g3g s ALA 187 Cb -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3g3g s ALA 187 CO -0.04 0.50 -0.05 0.12 0.00 0.00 0.00 175.76 176.28 3g3g s PHE 188 N -0.55 2.98 -0.35 0.00 5.36 -0.13 -2.73 117.98 122.55 3g3g s PHE 188 Ca 0.08 -0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 55.37 3g3g s PHE 188 Cb -0.12 -1.95 0.01 0.00 -0.34 0.00 0.00 43.02 40.62 3g3g s PHE 188 CO 0.02 -0.12 0.94 -0.51 -1.46 0.00 0.00 175.22 174.09 3g3g s LEU 189 N 0.47 3.99 0.07 6.12 2.01 0.02 -0.48 118.68 130.88 3g3g s LEU 189 Ca -0.05 0.66 -0.12 0.00 0.01 0.00 0.00 54.13 54.64 3g3g s LEU 189 Cb -0.15 -3.29 0.01 0.00 0.01 0.00 0.00 46.19 42.78 3g3g s LEU 189 CO 0.03 -0.84 0.27 -0.32 1.01 0.00 0.00 176.35 176.50 3g3g s MET 190 N 3.45 0.84 0.30 1.70 -2.45 -0.53 -4.55 119.30 118.06 3g3g s MET 190 Ca 0.39 -0.69 -0.29 0.00 -1.25 0.00 0.00 55.69 53.85 3g3g s MET 190 Cb -0.12 0.35 -0.10 0.00 1.25 0.00 0.00 34.83 36.22 3g3g s MET 190 CO 0.18 -0.27 1.13 -1.21 1.05 0.00 0.00 175.02 175.90 3g3g s GLU 191 N -3.11 4.56 0.34 4.11 2.02 -1.26 -0.70 118.70 124.65 3g3g s GLU 191 Ca -0.01 1.86 0.02 0.00 0.02 0.00 0.00 54.97 56.86 3g3g s GLU 191 Cb 0.01 -3.13 0.61 0.00 0.10 0.00 0.00 34.13 31.72 3g3g s GLU 191 CO -0.07 0.12 1.98 0.66 0.02 0.00 0.00 175.26 177.97 3g3g h SER 192 N 3.66 0.78 -0.28 -0.19 4.64 -1.12 -1.36 113.55 119.67 3g3g h SER 192 Ca -0.47 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 3g3g h SER 192 Cb 1.21 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 3g3g h SER 192 CO 0.66 0.55 -0.00 0.71 -0.87 0.00 0.00 176.83 177.88 3g3g h THR 193 N 0.91 1.22 -0.14 2.95 1.35 -1.90 -0.88 112.91 116.42 3g3g h THR 193 Ca 0.28 -0.87 -0.23 0.00 -0.55 0.00 0.00 66.41 65.04 3g3g h THR 193 Cb -0.01 0.93 0.01 0.00 -1.73 0.00 0.00 68.15 67.35 3g3g h THR 193 CO -0.07 0.30 -0.81 0.74 -0.25 0.00 0.00 175.52 175.43 3g3g h THR 194 N 0.58 1.28 -0.72 6.82 2.02 -1.72 -2.86 112.91 118.31 3g3g h THR 194 Ca 0.12 -2.00 0.06 0.00 0.77 0.00 0.00 66.41 65.36 3g3g h THR 194 Cb 0.38 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 3g3g h THR 194 CO 0.01 0.63 0.41 0.40 0.37 0.00 0.00 175.52 177.35 3g3g h ILE 195 N 0.53 0.97 -0.60 3.11 2.04 -1.00 -1.03 117.51 121.53 3g3g h ILE 195 Ca -0.06 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3g3g h ILE 195 Cb 1.44 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3g3g h ILE 195 CO 0.17 0.14 0.38 -0.08 0.00 0.00 0.00 178.15 178.75 3g3g h GLU 196 N 0.75 0.73 0.09 2.37 4.81 -1.04 -0.19 114.58 122.09 3g3g h GLU 196 Ca 0.32 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3g3g h GLU 196 Cb 0.20 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3g3g h GLU 196 CO -0.19 0.48 -0.04 0.35 -0.73 0.00 0.00 179.01 178.88 3g3g h PHE 197 N 0.75 -0.11 -0.52 0.92 3.57 -1.18 -2.70 116.94 117.67 3g3g h PHE 197 Ca 0.23 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 3g3g h PHE 197 Cb -0.02 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3g3g h PHE 197 CO -0.05 -0.06 -0.04 0.28 -2.23 0.00 0.00 178.31 176.22 3g3g h VAL 198 N -0.13 1.27 0.00 1.41 2.07 -0.68 -2.90 116.25 117.28 3g3g h VAL 198 Ca -0.01 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 3g3g h VAL 198 Cb 0.10 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3g3g h VAL 198 CO 0.02 0.41 -0.21 0.71 0.02 0.00 0.00 177.57 178.51 3g3g h THR 199 N 0.81 0.41 0.00 2.57 1.35 -1.08 -0.72 112.91 116.24 3g3g h THR 199 Ca 0.14 -1.35 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 3g3g h THR 199 Cb 0.58 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3g3g h THR 199 CO 0.03 0.21 -0.13 1.56 -0.25 0.00 0.00 175.52 176.95 3g3g h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.28 -3.29 115.11 119.47 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 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3g3g h GLN 200 CO 0.03 0.13 -0.96 0.54 -0.67 0.00 0.00 178.83 177.89 3g3g n ARG 201 N -3.23 1.54 -3.89 1.46 1.74 -0.98 -3.85 116.66 109.46 3g3g n ARG 201 Ca 0.01 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 3g3g n ARG 201 Cb 0.42 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 3g3g n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3g3g s ASN 202 N -2.78 3.91 0.00 0.55 3.84 -0.31 -4.99 114.94 115.15 3g3g s ASN 202 Ca 0.03 -1.37 0.28 0.00 0.21 0.00 0.00 52.86 52.01 3g3g s ASN 202 Cb 0.11 -1.11 1.50 0.00 -0.55 0.00 0.00 41.25 41.21 3g3g s ASN 202 CO 0.65 -0.30 1.97 0.00 -2.79 0.00 0.00 177.10 176.63 3g3g n ASN 204 N -1.16 0.44 -4.74 0.00 3.02 -1.26 -4.91 115.26 106.65 3g3g n ASN 204 Ca 0.16 0.43 -0.23 0.00 -0.03 0.00 0.00 54.58 54.92 3g3g n ASN 204 Cb 0.17 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 3g3g n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g3g s LEU 205 N -3.74 3.54 0.06 3.41 1.43 -0.89 -1.38 118.68 121.11 3g3g s LEU 205 Ca 0.12 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3g3g s LEU 205 Cb 0.16 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3g3g s LEU 205 CO 0.59 -0.00 0.31 0.28 0.23 0.00 0.00 176.35 177.75 3g3g s THR 206 N -2.14 0.09 0.29 5.49 -1.32 -0.24 -4.75 115.64 113.06 3g3g s THR 206 Ca 0.32 -0.73 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 3g3g s THR 206 Cb -0.08 -1.04 -0.09 0.00 -1.51 0.00 0.00 72.50 69.77 3g3g s THR 206 CO 0.22 -0.40 1.09 -1.58 -2.21 0.00 0.00 174.62 171.74 3g3g s GLN 207 N -2.98 4.62 -0.14 7.08 0.74 -1.26 -1.66 119.66 126.06 3g3g s GLN 207 Ca -0.02 1.78 -0.00 0.00 0.05 0.00 0.00 55.36 57.16 3g3g s GLN 207 Cb 0.01 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.95 3g3g s GLN 207 CO -0.06 0.20 -0.13 0.42 -0.55 0.00 0.00 175.29 175.17 3g3g s ILE 208 N -1.19 2.95 0.00 -2.34 -1.09 0.15 -4.94 121.20 114.75 3g3g s ILE 208 Ca 0.45 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3g3g s ILE 208 Cb -0.31 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 3g3g s ILE 208 CO 0.40 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.23 3g3g n GLY 209 N 3.80 -1.49 0.00 6.18 0.00 -1.18 -3.61 105.19 108.89 3g3g n GLY 209 Ca -0.18 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 2.18 3.75 -0.02 0.00 -1.26 -4.89 105.19 104.95 3g3g n GLY 210 Ca 0.00 -1.96 -0.39 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 4.38 0.20 0.99 1.02 -1.26 -4.56 118.68 119.45 3g3g s LEU 211 Ca 0.00 1.09 0.12 0.00 0.02 0.00 0.00 54.13 55.36 3g3g s LEU 211 Cb 0.00 -2.89 -0.06 0.00 0.02 0.00 0.00 46.19 43.26 3g3g s LEU 211 CO 0.00 0.06 1.34 0.40 0.02 0.00 0.00 176.35 178.18 3g3g h ILE 212 N 4.31 1.20 -2.60 -0.59 2.04 -1.12 -3.48 117.51 117.26 3g3g h ILE 212 Ca -0.44 -2.71 -0.07 0.00 1.00 0.00 0.00 64.86 62.64 3g3g h ILE 212 Cb 1.20 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.85 3g3g h ILE 212 CO 0.71 0.68 -0.00 -0.90 0.00 0.00 0.00 178.15 178.64 3g3g n ASP 213 N -3.26 -0.60 -3.79 1.72 5.68 -1.26 -4.96 116.55 110.08 3g3g n ASP 213 Ca 0.00 -1.64 -0.16 0.00 -0.50 0.00 0.00 54.79 52.49 3g3g n ASP 213 Cb 0.83 1.07 -0.16 0.00 -1.14 0.00 0.00 41.12 41.71 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 -1.77 0.20 0.23 -1.12 0.15 -1.26 -4.23 113.70 105.91 3g3g s SER 214 Ca 0.09 0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 3g3g s SER 214 Cb -0.01 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3g3g s SER 214 CO 0.06 -0.11 0.51 -1.59 1.20 0.00 0.00 173.24 173.31 3g3g s LYS 215 N 1.02 1.52 0.21 5.44 -2.85 -0.19 -4.99 119.74 119.90 3g3g s LYS 215 Ca -0.09 -1.13 0.09 0.00 -1.00 0.00 0.00 55.97 53.84 3g3g s LYS 215 Cb -0.13 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 3g3g s LYS 215 CO -0.02 -0.64 -0.07 0.20 0.10 0.00 0.00 175.35 174.92 3g3g s GLY 216 N -2.97 1.71 -0.04 0.59 0.00 -1.26 -0.92 107.32 104.44 3g3g s GLY 216 Ca 0.18 -1.55 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 3g3g s GLY 216 CO 0.06 -1.59 0.54 -0.19 0.00 0.00 0.00 173.10 171.91 3g3g s TYR 217 N -1.96 3.64 0.16 1.90 2.02 -0.36 -0.76 117.35 121.99 3g3g s TYR 217 Ca 0.27 1.09 0.03 0.00 -0.37 0.00 0.00 57.07 58.09 3g3g s TYR 217 Cb -0.08 -2.56 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 3g3g s TYR 217 CO 0.17 0.33 -0.05 0.20 -1.57 0.00 0.00 175.55 174.62 3g3g s GLY 218 N -0.04 1.14 -0.06 0.71 0.00 -0.84 -1.01 107.32 107.22 3g3g s GLY 218 Ca 0.29 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 3g3g s GLY 218 CO 0.15 -1.57 1.30 0.14 0.00 0.00 0.00 173.10 173.11 3g3g s VAL 219 N -3.46 4.05 0.23 1.40 1.01 -1.26 -4.47 120.40 117.90 3g3g s VAL 219 Ca 0.20 1.38 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 3g3g s VAL 219 Cb 0.04 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 3g3g s VAL 219 CO 0.02 -0.03 0.74 -0.83 0.00 0.00 0.00 175.10 175.00 3g3g s GLY 220 N 1.79 2.62 0.09 4.51 0.00 -0.50 -0.82 107.32 115.00 3g3g s GLY 220 Ca 0.59 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.51 3g3g s GLY 220 CO 0.22 0.55 -0.04 -0.51 0.00 0.00 0.00 173.10 173.32 3g3g s THR 221 N -1.55 0.49 0.76 0.90 -4.23 -0.12 -0.63 115.64 111.26 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 0.05 0.00 1.34 0.00 0.00 72.50 72.06 3g3g s THR 221 CO 0.21 -0.88 1.22 -2.84 -0.54 0.00 0.00 174.62 171.79 3g3g s PRO 222 N -3.88 1.94 0.18 3.99 0.02 -1.26 -1.25 135.00 134.74 3g3g s PRO 222 Ca 0.11 1.82 -0.33 0.00 0.02 0.00 0.00 61.00 62.62 3g3g s PRO 222 Cb 0.06 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.64 3g3g s PRO 222 CO -0.06 -2.00 1.56 -0.12 -0.33 0.00 0.00 177.00 176.05 3g3g n MET 223 N -2.87 2.19 -0.17 5.54 0.00 -1.26 -1.72 117.12 118.82 3g3g n MET 223 Ca 0.14 0.79 0.00 0.00 -0.00 0.00 0.00 57.70 58.63 3g3g n MET 223 Cb 0.50 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 31.18 3g3g n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g3g n GLY 224 N 3.19 1.16 3.76 -5.12 0.00 -1.26 -4.95 105.19 101.98 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 -2.96 6.48 0.28 1.61 0.15 -0.70 -4.88 113.70 113.68 3g3g s SER 225 Ca 0.00 2.89 0.25 0.00 0.70 0.00 0.00 55.95 59.79 3g3g s SER 225 Cb 0.00 -2.65 0.99 0.00 -1.71 0.00 0.00 66.02 62.65 3g3g s SER 225 CO 0.00 -0.80 1.74 1.55 1.20 0.00 0.00 173.24 176.93 3g3g h PRO 226 N 4.01 0.00 0.00 5.44 0.13 -1.96 -2.84 132.00 136.79 3g3g h PRO 226 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.72 0.00 -0.18 1.88 -0.23 0.00 0.00 178.00 180.19 3g3g h TYR 227 N 0.00 0.00 0.19 1.56 0.05 -1.97 -3.33 116.97 113.47 3g3g h TYR 227 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3g3g h TYR 227 Cb 0.43 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3g3g h TYR 227 CO 0.00 0.18 -0.23 -0.09 -1.05 0.00 0.00 178.16 176.96 3g3g h ARG 228 N 0.00 -0.46 -0.00 4.88 2.43 -1.89 -0.20 114.38 119.15 3g3g h ARG 228 Ca -0.00 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 3g3g h ARG 228 Cb 0.78 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3g3g h ARG 228 CO 0.02 -0.31 -0.67 -0.44 -1.51 0.00 0.00 179.97 177.07 3g3g h ASP 229 N -0.48 0.01 -0.49 -3.80 3.32 -1.80 -1.04 116.42 112.14 3g3g h ASP 229 Ca 0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3g3g h ASP 229 Cb 0.46 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3g3g h ASP 229 CO -0.08 0.67 0.21 0.11 -1.72 0.00 0.00 179.24 178.42 3g3g h LYS 230 N 0.00 0.72 -0.37 3.56 1.57 -1.61 -2.13 116.57 118.31 3g3g h LYS 230 Ca -0.01 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3g3g h LYS 230 Cb 1.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3g3g h LYS 230 CO 0.09 0.63 -0.32 0.82 -0.57 0.00 0.00 179.45 180.10 3g3g h ILE 231 N 0.64 1.28 -0.41 1.86 2.04 -0.76 -1.80 117.51 120.36 3g3g h ILE 231 Ca 0.16 -1.47 0.07 0.00 1.00 0.00 0.00 64.86 64.62 3g3g h ILE 231 Cb 0.17 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3g3g h ILE 231 CO -0.02 0.49 0.04 0.74 0.00 0.00 0.00 178.15 179.40 3g3g h THR 232 N 0.68 0.74 -0.64 -0.27 2.02 -1.05 0.42 112.91 114.81 3g3g h THR 232 Ca 0.07 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3g3g h THR 232 Cb 0.86 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3g3g h THR 232 CO 0.08 0.03 0.28 0.40 0.37 0.00 0.00 175.52 176.68 3g3g h ILE 233 N 0.16 1.23 -0.80 3.11 2.04 -1.18 -1.01 117.51 121.06 3g3g h ILE 233 Ca 0.20 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3g3g h ILE 233 Cb 0.27 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3g3g h ILE 233 CO -0.30 0.27 0.34 0.00 0.00 0.00 0.00 178.15 178.46 3g3g h ALA 234 N 1.12 1.09 -0.51 1.87 0.00 -0.92 -1.12 119.26 120.79 3g3g h ALA 234 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3g3g h ALA 234 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3g3g h ALA 234 CO -0.02 0.66 0.16 0.82 0.00 0.00 0.00 179.25 180.86 3g3g h ILE 235 N 1.16 1.23 -0.65 0.00 2.04 -0.58 -0.70 117.51 120.00 3g3g h ILE 235 Ca 0.27 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3g3g h ILE 235 Cb 0.18 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3g3g h ILE 235 CO -0.03 0.29 0.31 -0.07 0.00 0.00 0.00 178.15 178.65 3g3g h LEU 236 N 0.70 0.83 0.01 1.44 3.38 -0.91 0.50 115.31 121.25 3g3g h LEU 236 Ca 0.16 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g3g h LEU 236 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3g3g h LEU 236 CO -0.00 0.70 -0.00 -0.61 0.09 0.00 0.00 178.44 178.61 3g3g h GLN 237 N 0.92 -0.01 -0.88 1.13 4.15 -0.80 -1.34 115.11 118.27 3g3g h GLN 237 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.67 3g3g h GLN 237 Cb 0.09 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 3g3g h GLN 237 CO -0.03 0.13 0.58 -0.07 -1.93 0.00 0.00 178.83 177.51 3g3g h LEU 238 N -0.14 0.98 0.30 -2.39 3.38 -0.68 -1.64 115.31 115.13 3g3g h LEU 238 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3g3g h LEU 238 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3g3g h LEU 238 CO 0.00 0.69 -0.15 -0.61 0.09 0.00 0.00 178.44 178.47 3g3g h GLN 239 N 1.15 -0.39 -0.68 1.13 -0.00 -0.75 -0.59 115.11 114.98 3g3g h GLN 239 Ca 0.34 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 59.14 3g3g h GLN 239 Cb -0.06 0.09 -0.09 0.00 0.00 0.00 0.00 27.48 27.42 3g3g h GLN 239 CO -0.09 -0.18 0.21 1.49 0.00 0.00 0.00 178.83 180.26 3g3g h GLU 240 N -0.53 0.33 0.00 1.69 4.81 -0.82 -0.30 114.58 119.76 3g3g h GLU 240 Ca -0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g3g h GLU 240 Cb 0.39 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3g3g h GLU 240 CO 0.07 0.22 0.00 0.39 -0.73 0.00 0.00 179.01 178.96 3g3g n GLU 241 N -5.07 0.05 -0.41 1.92 1.02 -0.65 -4.88 120.64 112.62 3g3g n GLU 241 Ca 0.12 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3g3g n GLU 241 Cb 0.37 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.74 0.74 0.16 0.62 0.00 -0.12 -4.97 105.19 102.36 3g3g n GLY 242 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 3.70 0.39 -0.56 1.61 1.57 -1.30 -1.86 116.57 120.12 3g3g h LYS 243 Ca 0.00 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 3g3g h LYS 243 Cb 0.00 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3g3g h LYS 243 CO 0.00 1.03 0.03 -0.07 -0.57 0.00 0.00 179.45 179.88 3g3g h LEU 244 N 0.24 0.89 -0.44 2.94 3.38 -1.81 -0.81 115.31 119.71 3g3g h LEU 244 Ca -0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3g3g h LEU 244 Cb 1.44 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3g3g h LEU 244 CO 0.14 0.94 0.11 -0.74 0.09 0.00 0.00 178.44 178.98 3g3g h HIS 245 N 0.87 0.74 -0.75 1.13 2.76 -1.84 -0.91 115.15 117.14 3g3g h HIS 245 Ca 0.17 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3g3g h HIS 245 Cb 0.46 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 3g3g h HIS 245 CO 0.03 0.68 0.41 0.52 -1.30 0.00 0.00 177.93 178.27 3g3g h MET 246 N 0.59 1.05 -0.70 5.26 2.86 -1.07 -0.99 114.93 121.93 3g3g h MET 246 Ca 0.14 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3g3g h MET 246 Cb 0.31 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3g3g h MET 246 CO 0.00 0.79 0.27 0.52 1.06 0.00 0.00 176.91 179.55 3g3g h MET 247 N 1.04 1.05 -0.45 1.72 2.07 -0.84 -0.93 114.93 118.59 3g3g h MET 247 Ca 0.26 -0.20 -0.03 0.00 -2.07 0.00 0.00 59.70 57.67 3g3g h MET 247 Cb 0.04 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.59 3g3g h MET 247 CO -0.04 0.88 0.17 -0.22 1.07 0.00 0.00 176.91 178.76 3g3g h LYS 248 N 1.00 0.68 -0.74 1.72 1.63 -0.86 -2.08 116.57 117.93 3g3g h LYS 248 Ca 0.23 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3g3g h LYS 248 Cb 0.23 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 3g3g h LYS 248 CO -0.02 0.63 0.32 0.93 -3.45 0.00 0.00 179.45 177.87 3g3g h GLU 249 N 0.59 1.07 -0.37 1.90 4.39 -0.93 0.21 114.58 121.45 3g3g h GLU 249 Ca 0.15 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3g3g h GLU 249 Cb 0.21 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3g3g h GLU 249 CO -0.01 0.85 0.16 -0.22 -1.16 0.00 0.00 179.01 178.63 3g3g h LYS 250 N 1.06 0.54 0.00 2.33 3.64 -0.85 -1.72 116.57 121.57 3g3g h LYS 250 Ca 0.25 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 3g3g h LYS 250 Cb 0.16 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3g3g h LYS 250 CO -0.03 0.50 -1.00 -1.49 -2.27 0.00 0.00 179.45 175.16 3g3g h TRP 251 N 0.45 0.00 -0.01 1.91 4.06 -1.03 -3.32 115.95 118.02 3g3g h TRP 251 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3g3g h TRP 251 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3g3g h TRP 251 CO -0.01 0.11 -0.61 0.91 -3.56 0.00 0.00 178.44 175.28 3g3g n TRP 252 N -2.75 0.00 -1.90 0.49 8.01 0.03 -4.84 117.44 116.48 3g3g n TRP 252 Ca -0.01 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.75 3g3g n TRP 252 Cb 0.60 -0.04 -0.03 0.00 -2.01 0.00 0.00 31.31 29.84 3g3g n TRP 252 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.69 175.70 3g3g s ARG 253 N -2.69 3.41 0.00 -0.99 1.70 -0.65 -4.99 118.95 114.74 3g3g s ARG 253 Ca 0.15 1.69 0.00 0.00 -0.47 0.00 0.00 55.73 57.10 3g3g s ARG 253 Cb 0.18 -4.21 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 3g3g s ARG 253 CO 0.67 -1.77 0.00 0.00 -1.08 0.00 0.00 175.30 173.11