#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3coo n SER 40 N 0.00 0.34 -2.83 3.14 3.41 -1.26 -4.96 113.62 111.46 3coo n SER 40 Ca 0.00 -1.06 -0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3coo n SER 40 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3coo n SER 40 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3coo n GLU 41 N -0.03 1.70 -0.53 4.33 0.28 -1.26 -5.11 120.64 120.03 3coo n GLU 41 Ca 0.00 -3.48 -0.29 0.00 -0.16 0.00 0.00 57.16 53.23 3coo n GLU 41 Cb 0.23 -1.58 0.26 0.00 1.43 0.00 0.00 31.44 31.78 3coo n GLU 41 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3coo s GLY 42 N -3.76 1.50 0.34 -1.84 0.00 -1.26 -4.89 107.32 97.41 3coo s GLY 42 Ca 0.27 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.31 3coo s GLY 42 CO -0.04 0.43 1.36 -1.72 0.00 0.00 0.00 173.10 173.13 3coo n TYR 43 N -5.14 2.48 -0.98 1.90 4.01 -1.26 -2.78 117.16 115.39 3coo n TYR 43 Ca 0.06 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 3coo n TYR 43 Cb 0.56 -2.46 0.00 0.00 -0.31 0.00 0.00 39.34 37.14 3coo n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3coo h SER 45 N 0.00 0.00 -0.59 0.00 4.64 -1.61 -1.02 113.55 114.98 3coo h SER 45 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3coo h SER 45 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3coo h SER 45 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3coo n ARG 46 N -3.01 3.71 -3.85 4.77 1.74 -1.26 -4.84 116.66 113.92 3coo n ARG 46 Ca -0.03 -2.85 -0.36 0.00 -0.77 0.00 0.00 57.85 53.84 3coo n ARG 46 Cb 0.15 -1.88 -0.13 0.00 -1.02 0.00 0.00 32.46 29.58 3coo n ARG 46 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3coo s ILE 47 N -1.95 3.40 0.16 0.55 -1.09 -0.38 -1.45 121.20 120.44 3coo s ILE 47 Ca 0.49 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3coo s ILE 47 Cb 0.32 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.35 3coo s ILE 47 CO 0.22 0.04 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.20 3coo s LEU 48 N 1.38 2.17 -0.12 2.97 1.43 -0.44 -2.59 118.68 123.49 3coo s LEU 48 Ca -0.00 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 51.82 3coo s LEU 48 Cb -0.18 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 3coo s LEU 48 CO -0.00 -0.55 0.32 -0.13 0.23 0.00 0.00 176.35 176.22 3coo s ARG 49 N -3.90 4.11 0.23 1.70 0.52 -1.24 -1.62 118.95 118.74 3coo s ARG 49 Ca 0.22 0.18 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 3coo s ARG 49 Cb 0.06 -3.36 -0.11 0.00 0.52 0.00 0.00 34.95 32.06 3coo s ARG 49 CO 0.02 0.39 1.58 0.00 0.02 0.00 0.00 175.30 177.31 3coo s ALA 50 N -0.01 3.77 -0.02 2.13 0.00 0.25 -4.78 121.76 123.11 3coo s ALA 50 Ca 0.19 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3coo s ALA 50 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3coo s ALA 50 CO 0.07 -0.86 0.02 -0.65 0.00 0.00 0.00 175.76 174.33 3coo s GLN 51 N 0.33 2.88 0.28 0.00 -0.21 -1.26 -4.74 119.66 116.94 3coo s GLN 51 Ca 0.67 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.50 3coo s GLN 51 Cb -0.46 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 30.82 3coo s GLN 51 CO 0.39 0.64 0.00 0.41 -2.12 0.00 0.00 175.29 174.61 3coo n GLY 52 N 1.49 -2.22 3.33 3.09 0.00 -1.26 -5.21 105.19 104.41 3coo n GLY 52 Ca -0.15 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3coo n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3coo s THR 53 N -2.55 1.82 0.00 2.61 -1.32 -1.26 -5.07 115.64 109.87 3coo s THR 53 Ca 0.00 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 3coo s THR 53 Cb 0.00 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 3coo s THR 53 CO 0.00 -0.32 0.00 0.00 -2.21 0.00 0.00 174.62 172.09 3coo n TYR 58 N 0.29 -0.64 -0.18 9.09 9.36 -1.26 -5.27 117.16 128.54 3coo n TYR 58 Ca -0.13 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.24 3coo n TYR 58 Cb 0.57 0.00 0.49 0.00 -0.63 0.00 0.00 39.34 39.77 3coo n TYR 58 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3coo h THR 59 N 0.95 0.79 0.00 2.97 1.03 -2.02 0.22 112.91 116.84 3coo h THR 59 Ca 0.00 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 66.21 3coo h THR 59 Cb 0.00 0.31 -0.00 0.00 -1.07 0.00 0.00 68.15 67.38 3coo h THR 59 CO 0.00 0.08 -0.15 -0.33 -0.01 0.00 0.00 175.52 175.11 3coo h GLU 60 N 0.45 0.00 -5.48 0.00 3.07 -1.95 -3.43 114.58 107.24 3coo h GLU 60 Ca 0.39 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.61 3coo h GLU 60 Cb 0.85 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.65 3coo h GLU 60 CO -0.13 0.15 -0.52 -0.06 -1.40 0.00 0.00 179.01 177.05 3coo s PHE 61 N -3.87 3.41 -0.00 4.33 0.08 0.76 -0.50 117.98 122.18 3coo s PHE 61 Ca -0.01 0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.39 3coo s PHE 61 Cb 0.11 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3coo s PHE 61 CO 0.60 0.43 -0.09 -1.12 -0.10 0.00 0.00 175.22 174.93 3coo s SER 62 N -0.25 1.10 -0.18 1.36 0.01 -0.33 -4.42 113.70 110.99 3coo s SER 62 Ca 0.10 -0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.13 3coo s SER 62 Cb -0.12 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3coo s SER 62 CO 0.01 0.11 -0.00 -0.22 0.41 0.00 0.00 173.24 173.54 3coo s LEU 63 N -0.27 3.36 0.03 2.44 2.96 0.17 -1.23 118.68 126.14 3coo s LEU 63 Ca 0.03 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3coo s LEU 63 Cb -0.04 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3coo s LEU 63 CO -0.00 0.12 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.95 3coo s ARG 64 N 0.64 0.53 -0.25 1.98 0.52 0.10 -4.76 118.95 117.70 3coo s ARG 64 Ca -0.00 -0.61 -0.09 0.00 -0.52 0.00 0.00 55.73 54.50 3coo s ARG 64 Cb -0.14 -0.37 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 3coo s ARG 64 CO 0.02 0.08 0.12 0.08 0.02 0.00 0.00 175.30 175.63 3coo s VAL 65 N -1.02 4.87 0.15 3.52 1.01 -1.26 -0.58 120.40 127.10 3coo s VAL 65 Ca -0.06 0.02 -0.34 0.00 0.00 0.00 0.00 61.98 61.59 3coo s VAL 65 Cb -0.08 -3.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.87 3coo s VAL 65 CO 0.00 0.32 1.41 1.21 0.00 0.00 0.00 175.10 178.04 3coo n GLU 66 N 4.72 1.64 -0.21 2.72 2.13 0.22 0.15 120.64 132.00 3coo n GLU 66 Ca -0.15 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3coo n GLU 66 Cb 0.52 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.97 3coo n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3coo n GLY 67 N 2.71 1.80 3.94 8.31 0.00 -1.26 -4.45 105.19 116.24 3coo n GLY 67 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3coo n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3coo n ASP 68 N 0.00 -4.55 -4.76 1.61 10.43 0.12 -4.86 116.55 114.54 3coo n ASP 68 Ca 0.00 -1.18 -0.38 0.00 2.57 0.00 0.00 54.79 55.80 3coo n ASP 68 Cb 0.00 -2.07 0.02 0.00 1.84 0.00 0.00 41.12 40.91 3coo n ASP 68 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3coo s PRO 69 N -6.73 3.45 -0.02 -0.24 0.04 -1.26 -4.94 135.00 125.30 3coo s PRO 69 Ca 0.42 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.27 3coo s PRO 69 Cb -0.21 -2.36 -0.20 0.00 0.04 0.00 0.00 34.50 31.77 3coo s PRO 69 CO 0.94 -0.89 1.27 -0.44 0.04 0.00 0.00 177.00 177.92 3coo h ASP 70 N 1.79 -0.04 -3.33 6.66 3.32 -1.95 -3.48 116.42 119.39 3coo h ASP 70 Ca -0.50 -0.43 -0.46 0.00 0.02 0.00 0.00 57.03 55.66 3coo h ASP 70 Cb 1.28 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 3coo h ASP 70 CO 0.59 0.42 -0.63 -0.36 -1.72 0.00 0.00 179.24 177.53 3coo s PHE 71 N -4.35 1.88 -0.04 4.55 0.08 -1.26 -4.33 117.98 114.51 3coo s PHE 71 Ca -0.15 -0.90 -0.01 0.00 0.12 0.00 0.00 56.93 55.98 3coo s PHE 71 Cb 0.02 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3coo s PHE 71 CO 0.65 0.05 0.05 1.52 -0.10 0.00 0.00 175.22 177.39 3coo s TYR 72 N -3.27 3.25 -0.25 0.36 1.13 -0.01 -4.88 117.35 113.67 3coo s TYR 72 Ca 0.34 0.22 -0.10 0.00 -1.41 0.00 0.00 57.07 56.11 3coo s TYR 72 Cb 0.07 -1.76 -0.04 0.00 -1.10 0.00 0.00 41.96 39.12 3coo s TYR 72 CO 0.13 0.53 0.15 0.15 -2.51 0.00 0.00 175.55 174.00 3coo s LYS 73 N -1.38 3.92 0.14 -3.49 1.02 -1.26 -3.24 119.74 115.45 3coo s LYS 73 Ca 0.19 -0.34 -0.35 0.00 0.02 0.00 0.00 55.97 55.49 3coo s LYS 73 Cb -0.12 -3.52 -0.15 0.00 -0.52 0.00 0.00 37.83 33.53 3coo s LYS 73 CO 0.09 -0.08 1.51 -2.30 -0.92 0.00 0.00 175.35 173.65 3coo n PRO 74 N 4.70 1.89 0.00 -1.68 -0.02 -1.26 -1.40 135.00 137.23 3coo n PRO 74 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3coo n PRO 74 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3coo n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3coo n GLY 75 N 3.18 2.67 3.77 -1.23 0.00 -0.04 -4.94 105.19 108.59 3coo n GLY 75 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3coo n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3coo s THR 76 N -2.54 3.57 -0.32 2.61 -1.32 -0.49 -4.65 115.64 112.49 3coo s THR 76 Ca 0.00 1.45 -0.22 0.00 -1.21 0.00 0.00 61.69 61.71 3coo s THR 76 Cb 0.00 -3.87 -0.00 0.00 -1.51 0.00 0.00 72.50 67.11 3coo s THR 76 CO 0.00 0.25 0.72 -0.55 -2.21 0.00 0.00 174.62 172.83 3coo s SER 77 N -1.10 6.56 -0.04 8.08 0.15 -1.26 -0.68 113.70 125.40 3coo s SER 77 Ca 0.49 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.60 3coo s SER 77 Cb -0.29 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 3coo s SER 77 CO 0.37 -0.59 0.03 -0.31 1.20 0.00 0.00 173.24 173.94 3coo s TYR 78 N 2.84 3.20 -0.22 3.44 2.02 0.11 -4.91 117.35 123.82 3coo s TYR 78 Ca 0.29 0.19 -0.18 0.00 -0.37 0.00 0.00 57.07 56.99 3coo s TYR 78 Cb -0.14 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 3coo s TYR 78 CO 0.13 0.50 0.51 0.50 -1.57 0.00 0.00 175.55 175.63 3coo s ARG 79 N -1.29 4.14 -0.17 -0.62 3.52 -1.26 -0.37 118.95 122.90 3coo s ARG 79 Ca 0.17 0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 56.14 3coo s ARG 79 Cb -0.12 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 3coo s ARG 79 CO 0.07 -0.22 -0.15 0.14 -0.81 0.00 0.00 175.30 174.34 3coo s VAL 80 N 1.86 2.61 -0.05 7.11 -7.23 0.08 -0.61 120.40 124.18 3coo s VAL 80 Ca 0.23 -0.77 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 3coo s VAL 80 Cb -0.15 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 3coo s VAL 80 CO 0.09 0.51 -0.24 0.28 -0.31 0.00 0.00 175.10 175.42 3coo s THR 81 N 1.06 1.99 -0.23 5.32 -1.32 0.26 -1.06 115.64 121.65 3coo s THR 81 Ca -0.01 -1.04 -0.09 0.00 -1.21 0.00 0.00 61.69 59.35 3coo s THR 81 Cb -0.14 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 3coo s THR 81 CO -0.04 0.56 0.12 -0.22 -2.21 0.00 0.00 174.62 172.82 3coo s LEU 82 N -0.23 3.84 0.08 9.08 2.96 -0.74 0.00 118.68 133.66 3coo s LEU 82 Ca -0.01 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 3coo s LEU 82 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3coo s LEU 82 CO 0.03 0.05 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.07 3coo s SER 83 N 1.16 1.22 -0.16 3.68 1.04 -0.37 -1.26 113.70 119.01 3coo s SER 83 Ca 0.06 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 3coo s SER 83 Cb -0.14 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3coo s SER 83 CO 0.04 -0.28 -0.00 0.00 0.98 0.00 0.00 173.24 173.98 3coo s ALA 84 N -2.36 3.15 0.11 5.32 0.00 0.46 -1.18 121.76 127.26 3coo s ALA 84 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 3coo s ALA 84 Cb -0.03 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 3coo s ALA 84 CO -0.01 0.22 1.03 0.00 0.00 0.00 0.00 175.76 177.00 3coo s ALA 85 N 0.32 3.29 0.46 0.00 0.00 0.34 -4.79 121.76 121.37 3coo s ALA 85 Ca -0.01 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 3coo s ALA 85 Cb -0.13 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 3coo s ALA 85 CO 0.02 -0.15 1.19 -2.30 0.00 0.00 0.00 175.76 174.52 3coo n PRO 86 N 2.89 1.66 -0.72 0.00 -0.02 -1.26 -1.14 135.00 136.41 3coo n PRO 86 Ca 0.03 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 3coo n PRO 86 Cb 0.48 -2.31 0.24 0.00 -0.02 0.00 0.00 33.50 31.90 3coo n PRO 86 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3coo n PRO 87 N -0.18 3.24 -1.18 0.52 -0.04 -1.26 -5.12 135.00 130.98 3coo n PRO 87 Ca 0.08 -2.24 -0.30 0.00 -0.04 0.00 0.00 63.50 61.00 3coo n PRO 87 Cb 0.41 -1.99 0.13 0.00 -0.04 0.00 0.00 33.50 32.00 3coo n PRO 87 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3coo s SER 88 N -0.59 3.68 0.15 3.54 0.01 -0.29 -5.10 113.70 115.11 3coo s SER 88 Ca 0.40 1.61 -0.18 0.00 1.31 0.00 0.00 55.95 59.09 3coo s SER 88 Cb 0.31 -2.29 0.04 0.00 0.21 0.00 0.00 66.02 64.30 3coo s SER 88 CO 0.10 -2.52 0.47 -0.72 0.41 0.00 0.00 173.24 170.98 3coo s TYR 89 N -2.90 -0.24 0.16 2.43 -0.85 -1.26 -4.69 117.35 109.98 3coo s TYR 89 Ca 0.63 -0.06 0.05 0.00 -0.52 0.00 0.00 57.07 57.17 3coo s TYR 89 Cb -0.18 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 3coo s TYR 89 CO 0.57 -0.78 -0.11 -0.59 -1.52 0.00 0.00 175.55 173.11 3coo s PHE 90 N -3.81 1.35 0.00 -3.49 -0.71 -0.48 -4.94 117.98 105.90 3coo s PHE 90 Ca 0.04 -0.71 0.00 0.00 -1.04 0.00 0.00 56.93 55.22 3coo s PHE 90 Cb 0.01 -0.68 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 3coo s PHE 90 CO -0.10 0.14 0.00 0.54 -1.34 0.00 0.00 175.22 174.46 3coo n ARG 91 N -0.17 0.00 -2.31 1.99 1.74 -1.26 -0.78 116.66 115.87 3coo n ARG 91 Ca -0.10 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.72 3coo n ARG 91 Cb 0.60 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.09 3coo n ARG 91 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3coo s GLY 92 N -0.84 1.66 0.17 -0.13 0.00 -1.26 -4.77 107.32 102.15 3coo s GLY 92 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 3coo s GLY 92 CO 0.00 -0.50 0.64 -0.11 0.00 0.00 0.00 173.10 173.13 3coo s PHE 93 N -3.11 -0.46 -0.04 1.90 -0.71 -1.26 -4.77 117.98 109.54 3coo s PHE 93 Ca 0.57 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.69 3coo s PHE 93 Cb -0.11 0.59 0.01 0.00 -1.21 0.00 0.00 43.02 42.30 3coo s PHE 93 CO 0.45 -0.90 -0.08 0.99 -1.34 0.00 0.00 175.22 174.33 3coo s THR 94 N -3.74 0.75 -0.07 -4.49 2.01 -0.47 -3.38 115.64 106.26 3coo s THR 94 Ca 0.03 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3coo s THR 94 Cb -0.02 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 3coo s THR 94 CO -0.09 0.25 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.10 3coo s LEU 95 N 0.46 2.15 0.18 4.42 1.02 0.51 -0.56 118.68 126.87 3coo s LEU 95 Ca -0.07 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.59 3coo s LEU 95 Cb -0.11 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 3coo s LEU 95 CO 0.01 0.23 0.06 0.27 0.02 0.00 0.00 176.35 176.94 3coo s ILE 96 N -0.07 0.36 -0.08 -0.59 -4.36 -0.08 -0.88 121.20 115.50 3coo s ILE 96 Ca -0.06 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.35 3coo s ILE 96 Cb -0.14 -2.25 0.03 0.00 1.25 0.00 0.00 42.46 41.34 3coo s ILE 96 CO 0.05 -0.31 -0.01 0.00 0.24 0.00 0.00 174.94 174.91 3coo s ALA 97 N -3.88 0.81 0.09 2.27 0.00 -1.26 -0.98 121.76 118.80 3coo s ALA 97 Ca 0.29 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.10 3coo s ALA 97 Cb 0.07 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3coo s ALA 97 CO 0.06 -0.48 -0.12 -0.51 0.00 0.00 0.00 175.76 174.71 3coo s LEU 98 N 1.93 2.95 0.37 0.00 1.43 0.21 -0.35 118.68 125.22 3coo s LEU 98 Ca 0.05 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 3coo s LEU 98 Cb -0.12 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 3coo s LEU 98 CO -0.06 0.20 1.37 -0.13 0.23 0.00 0.00 176.35 177.96 3coo s ARG 99 N -2.02 4.14 0.62 1.70 0.52 -0.41 0.23 118.95 123.73 3coo s ARG 99 Ca 0.20 2.32 -0.19 0.00 -0.52 0.00 0.00 55.73 57.54 3coo s ARG 99 Cb -0.11 -2.93 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 3coo s ARG 99 CO 0.11 -0.41 1.30 -2.00 0.02 0.00 0.00 175.30 174.32 3coo s GLU 100 N -2.04 2.71 -1.13 3.54 2.12 -0.59 -2.63 118.70 120.67 3coo s GLU 100 Ca 0.53 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.93 3coo s GLU 100 Cb -0.42 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.05 3coo s GLU 100 CO 0.55 -1.48 0.00 0.09 -0.54 0.00 0.00 175.26 173.88 3coo n ASN 101 N -1.71 -4.85 -4.76 -1.70 5.03 -1.26 -5.01 115.26 101.00 3coo n ASN 101 Ca 0.15 0.26 -0.28 0.00 0.87 0.00 0.00 54.58 55.58 3coo n ASN 101 Cb 0.48 -3.29 -0.06 0.00 -1.02 0.00 0.00 39.78 35.88 3coo n ASN 101 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3coo s ARG 102 N -2.74 2.79 0.06 3.52 1.81 -1.08 -5.06 118.95 118.25 3coo s ARG 102 Ca 0.00 -0.82 -0.15 0.00 -1.72 0.00 0.00 55.73 53.04 3coo s ARG 102 Cb 0.00 -2.63 -0.23 0.00 -0.45 0.00 0.00 34.95 31.64 3coo s ARG 102 CO 0.00 0.52 1.18 1.49 -0.68 0.00 0.00 175.30 177.81 3coo h GLU 103 N 2.92 0.64 0.00 3.54 4.57 -1.93 -3.48 114.58 120.85 3coo h GLU 103 Ca -0.47 -0.67 0.00 0.00 -1.18 0.00 0.00 59.36 57.04 3coo h GLU 103 Cb 1.18 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 3coo h GLU 103 CO 0.63 1.27 0.00 0.41 -1.18 0.00 0.00 179.01 180.14 3coo n GLY 104 N 1.04 0.80 0.83 1.92 0.00 -1.26 -3.70 105.19 104.82 3coo n GLY 104 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3coo n GLY 104 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3coo n ASP 105 N 0.00 2.41 -4.03 1.61 5.75 -1.07 -4.69 116.55 116.52 3coo n ASP 105 Ca 0.00 -2.05 -0.20 0.00 -0.01 0.00 0.00 54.79 52.54 3coo n ASP 105 Cb 0.00 -0.31 -0.15 0.00 -1.03 0.00 0.00 41.12 39.63 3coo n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3coo s LYS 106 N -1.48 0.87 0.32 0.11 -0.14 -1.26 -3.77 119.74 114.39 3coo s LYS 106 Ca 0.29 -0.35 0.05 0.00 -1.36 0.00 0.00 55.97 54.60 3coo s LYS 106 Cb 0.16 -0.83 0.69 0.00 -1.68 0.00 0.00 37.83 36.17 3coo s LYS 106 CO 0.18 0.20 1.85 1.49 -0.76 0.00 0.00 175.35 178.31 3coo h GLU 107 N 6.01 0.81 0.00 1.68 4.81 -1.84 0.22 114.58 126.27 3coo h GLU 107 Ca -0.32 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3coo h GLU 107 Cb 1.17 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3coo h GLU 107 CO 0.49 0.54 0.00 0.93 -0.73 0.00 0.00 179.01 180.24 3coo h GLU 108 N 0.84 0.00 0.00 1.92 3.07 -1.96 -0.98 114.58 117.47 3coo h GLU 108 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 3coo h GLU 108 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3coo h GLU 108 CO -0.24 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.93 3coo h ASP 109 N 0.00 0.00 -2.99 1.42 3.32 -1.30 -3.46 116.42 113.41 3coo h ASP 109 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3coo h ASP 109 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3coo h ASP 109 CO 0.00 0.00 -0.27 -1.00 -1.72 0.00 0.00 179.24 176.25 3coo s HIS 110 N -3.46 3.48 0.03 4.55 3.76 -0.37 -1.29 115.29 121.99 3coo s HIS 110 Ca 0.03 0.46 0.02 0.00 -0.15 0.00 0.00 55.06 55.42 3coo s HIS 110 Cb 0.09 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 3coo s HIS 110 CO 0.46 0.31 -0.07 0.00 -0.85 0.00 0.00 174.74 174.60 3coo s ALA 111 N -1.92 0.56 0.01 -1.40 0.00 0.52 -4.70 121.76 114.83 3coo s ALA 111 Ca 0.40 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3coo s ALA 111 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3coo s ALA 111 CO 0.29 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3coo n GLY 112 N 2.04 -1.57 2.81 0.00 0.00 -1.26 -4.68 105.19 102.52 3coo n GLY 112 Ca -0.19 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 3coo n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3coo s THR 113 N -0.06 0.72 0.50 2.61 2.01 -0.61 -4.95 115.64 115.85 3coo s THR 113 Ca 0.00 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 3coo s THR 113 Cb 0.00 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 3coo s THR 113 CO 0.00 0.09 1.17 -0.36 -0.69 0.00 0.00 174.62 174.83 3coo s PHE 114 N 1.80 2.76 -0.03 4.92 0.08 -1.26 -0.27 117.98 125.97 3coo s PHE 114 Ca 0.02 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.62 3coo s PHE 114 Cb -0.15 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 38.93 3coo s PHE 114 CO -0.07 -1.63 -0.09 -1.14 -0.10 0.00 0.00 175.22 172.19 3coo s GLN 115 N -2.92 1.04 0.23 0.44 2.00 0.68 -4.92 119.66 116.23 3coo s GLN 115 Ca 0.67 -0.30 -0.30 0.00 -2.00 0.00 0.00 55.36 53.44 3coo s GLN 115 Cb -0.28 -0.96 -0.09 0.00 0.80 0.00 0.00 33.01 32.48 3coo s GLN 115 CO 0.33 0.08 1.00 0.42 -0.50 0.00 0.00 175.29 176.62 3coo s ILE 116 N 0.34 3.94 -0.20 -2.34 -1.09 -1.26 -1.94 121.20 118.65 3coo s ILE 116 Ca -0.06 1.90 -0.14 0.00 -2.23 0.00 0.00 60.65 60.12 3coo s ILE 116 Cb -0.10 -4.21 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 3coo s ILE 116 CO 0.01 0.43 -0.32 -0.38 -1.23 0.00 0.00 174.94 173.45 3coo n ILE 117 N 1.59 1.42 -3.38 2.92 5.41 -1.26 -4.86 119.36 121.20 3coo n ILE 117 Ca -0.01 -0.10 -0.45 0.00 1.00 0.00 0.00 62.75 63.19 3coo n ILE 117 Cb 0.47 -2.04 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 3coo n ILE 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3coo s ASP 118 N -6.62 6.08 0.17 4.38 2.15 -1.26 -4.89 116.67 116.69 3coo s ASP 118 Ca -0.31 -1.88 0.25 0.00 0.43 0.00 0.00 52.55 51.05 3coo s ASP 118 Cb 0.09 -2.16 0.91 0.00 -0.30 0.00 0.00 42.92 41.46 3coo s ASP 118 CO 0.41 -0.80 1.77 -0.62 -0.17 0.00 0.00 175.17 175.76 3coo n GLU 119 N 5.08 0.19 -0.08 4.34 -0.58 -1.26 -2.00 120.64 126.32 3coo n GLU 119 Ca -0.11 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 3coo n GLU 119 Cb 0.41 -1.75 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 3coo n GLU 119 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3coo h GLU 120 N 0.00 0.47 0.00 3.49 4.39 -2.02 -3.38 114.58 117.52 3coo h GLU 120 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3coo h GLU 120 Cb 0.59 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3coo h GLU 120 CO 0.00 0.69 0.00 0.39 -1.16 0.00 0.00 179.01 178.93 3coo n GLU 121 N -4.57 0.47 -4.36 2.33 1.02 -1.23 -4.83 120.64 109.47 3coo n GLU 121 Ca -0.04 -0.57 -0.25 0.00 -0.02 0.00 0.00 57.16 56.28 3coo n GLU 121 Cb 0.29 -0.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.95 3coo n GLU 121 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3coo s THR 122 N -0.20 2.92 0.25 2.62 -4.23 -0.85 0.10 115.64 116.26 3coo s THR 122 Ca 0.00 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.32 3coo s THR 122 Cb 0.00 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3coo s THR 122 CO 0.00 -0.25 0.72 0.00 -0.54 0.00 0.00 174.62 174.55 3coo s GLN 123 N -3.17 1.65 0.40 3.99 -2.07 -0.31 -4.46 119.66 115.69 3coo s GLN 123 Ca 0.27 -0.87 -0.23 0.00 -1.82 0.00 0.00 55.36 52.71 3coo s GLN 123 Cb -0.07 0.59 -0.09 0.00 -1.09 0.00 0.00 33.01 32.34 3coo s GLN 123 CO 0.15 -0.75 1.01 -0.06 -1.32 0.00 0.00 175.29 174.32 3coo s PHE 124 N -3.83 3.31 0.01 9.60 0.08 -1.26 -0.73 117.98 125.15 3coo s PHE 124 Ca 0.09 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.49 3coo s PHE 124 Cb -0.05 -3.03 -0.06 0.00 -0.57 0.00 0.00 43.02 39.32 3coo s PHE 124 CO 0.03 -0.42 1.35 1.41 -0.10 0.00 0.00 175.22 177.49 3coo s MET 125 N -2.66 4.31 0.40 0.44 -2.45 -0.55 -4.78 119.30 114.02 3coo s MET 125 Ca 0.59 1.92 0.17 0.00 -1.25 0.00 0.00 55.69 57.11 3coo s MET 125 Cb -0.18 -3.50 0.85 0.00 1.25 0.00 0.00 34.83 33.24 3coo s MET 125 CO 0.23 -0.51 1.85 0.66 1.05 0.00 0.00 175.02 178.31 3coo h SER 126 N 7.54 0.00 0.63 1.11 4.64 -1.94 -1.51 113.55 124.01 3coo h SER 126 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3coo h SER 126 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3coo h SER 126 CO 0.88 0.32 -0.19 0.59 -0.87 0.00 0.00 176.83 177.57 3coo n ASN 127 N -3.90 0.32 -2.97 4.97 3.02 -1.26 -4.53 115.26 110.91 3coo n ASN 127 Ca -0.02 -0.10 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 3coo n ASN 127 Cb 0.39 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3coo n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3coo n PRO 129 N 3.22 0.02 0.00 0.00 -0.02 -1.02 -0.96 135.00 136.23 3coo n PRO 129 Ca 0.18 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3coo n PRO 129 Cb 0.54 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.94 3coo n PRO 129 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3coo n VAL 130 N -1.47 0.00 -3.99 -1.45 0.24 -1.26 -4.60 118.33 105.80 3coo n VAL 130 Ca 0.02 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 3coo n VAL 130 Cb 0.08 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.67 3coo n VAL 130 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3coo s ALA 131 N -2.56 3.86 -0.05 2.33 0.00 -0.14 -4.72 121.76 120.47 3coo s ALA 131 Ca 0.24 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 51.07 3coo s ALA 131 Cb 0.19 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3coo s ALA 131 CO 0.53 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.60 3coo s VAL 132 N -1.87 2.81 0.40 0.00 1.01 -0.06 -1.49 120.40 121.21 3coo s VAL 132 Ca 0.34 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3coo s VAL 132 Cb -0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 3coo s VAL 132 CO 0.28 0.58 0.17 0.42 0.00 0.00 0.00 175.10 176.55 3coo s THR 133 N -0.54 0.41 0.74 3.92 -4.23 0.09 -0.36 115.64 115.67 3coo s THR 133 Ca 0.07 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.48 3coo s THR 133 Cb -0.11 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3coo s THR 133 CO 0.01 0.00 1.08 -1.83 -0.54 0.00 0.00 174.62 173.34 3coo s GLU 134 N -3.62 2.51 -0.00 3.99 1.03 -1.22 -1.17 118.70 120.22 3coo s GLU 134 Ca 0.27 1.10 0.19 0.00 0.03 0.00 0.00 54.97 56.55 3coo s GLU 134 Cb 0.02 -1.93 -0.22 0.00 -0.80 0.00 0.00 34.13 31.20 3coo s GLU 134 CO 0.18 -1.44 0.75 -1.13 -1.33 0.00 0.00 175.26 172.28 3coo n SER 135 N -3.35 0.84 -4.10 0.83 3.41 0.29 -4.54 113.62 107.00 3coo n SER 135 Ca 0.09 -0.82 -0.07 0.00 -0.26 0.00 0.00 58.87 57.81 3coo n SER 135 Cb 0.53 1.12 -0.10 0.00 -0.26 0.00 0.00 64.21 65.50 3coo n SER 135 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3coo s THR 136 N -2.85 0.26 -0.25 6.66 -4.23 -1.26 -5.04 115.64 108.93 3coo s THR 136 Ca 0.05 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3coo s THR 136 Cb 0.14 -1.54 0.28 0.00 1.34 0.00 0.00 72.50 72.72 3coo s THR 136 CO 0.78 -0.98 1.65 -0.81 -0.54 0.00 0.00 174.62 174.72 3coo n PRO 137 N 0.10 1.68 -1.71 3.99 -0.04 -1.26 -4.75 135.00 133.00 3coo n PRO 137 Ca -0.14 -1.49 -0.42 0.00 -0.04 0.00 0.00 63.50 61.41 3coo n PRO 137 Cb 0.61 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 3coo n PRO 137 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3coo n ARG 138 N -0.06 2.27 -1.93 0.54 0.63 -1.26 -4.77 116.66 112.08 3coo n ARG 138 Ca 0.29 0.80 -0.42 0.00 -0.92 0.00 0.00 57.85 57.60 3coo n ARG 138 Cb 0.89 -2.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.34 3coo n ARG 138 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3coo s ARG 139 N -1.63 4.21 0.05 -0.14 0.52 -1.26 -4.40 118.95 116.30 3coo s ARG 139 Ca 0.57 2.38 0.01 0.00 -0.52 0.00 0.00 55.73 58.17 3coo s ARG 139 Cb -0.56 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.76 3coo s ARG 139 CO 0.60 -0.57 -0.06 1.03 0.02 0.00 0.00 175.30 176.32 3coo s ARG 140 N 0.59 0.55 -0.00 3.54 0.52 0.04 -4.98 118.95 119.21 3coo s ARG 140 Ca 0.67 -0.88 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 3coo s ARG 140 Cb -0.44 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 34.79 3coo s ARG 140 CO 0.36 0.00 0.29 0.25 0.02 0.00 0.00 175.30 176.22 3coo n THR 141 N 1.08 0.00 -3.59 0.02 -2.24 -1.26 -1.38 114.28 106.91 3coo n THR 141 Ca -0.20 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 3coo n THR 141 Cb 0.56 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 3coo n THR 141 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3coo s ARG 142 N -1.89 0.92 0.07 -0.78 3.52 -1.26 -0.40 118.95 119.12 3coo s ARG 142 Ca 0.02 0.74 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 3coo s ARG 142 Cb 0.06 0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 3coo s ARG 142 CO 0.32 -0.18 -0.07 0.96 -0.81 0.00 0.00 175.30 175.51 3coo s ILE 143 N -0.17 0.61 0.01 4.11 -5.25 -0.39 -5.01 121.20 115.10 3coo s ILE 143 Ca -0.04 -1.53 -0.02 0.00 -0.99 0.00 0.00 60.65 58.08 3coo s ILE 143 Cb -0.03 -1.17 -0.01 0.00 2.95 0.00 0.00 42.46 44.20 3coo s ILE 143 CO 0.04 -0.64 0.02 -1.10 -1.79 0.00 0.00 174.94 171.47 3coo s GLN 144 N -2.77 0.26 0.33 0.37 -0.21 -1.26 -1.79 119.66 114.58 3coo s GLN 144 Ca 0.01 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.06 3coo s GLN 144 Cb -0.02 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.05 3coo s GLN 144 CO -0.02 -0.05 0.14 0.14 -2.12 0.00 0.00 175.29 173.38 3coo s VAL 145 N -0.99 0.48 0.10 1.09 -7.23 -0.23 -4.42 120.40 109.21 3coo s VAL 145 Ca -0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 3coo s VAL 145 Cb -0.07 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3coo s VAL 145 CO -0.00 0.00 0.20 -0.36 -0.31 0.00 0.00 175.10 174.63 3coo s PHE 146 N -3.49 3.41 -0.08 2.82 0.08 -0.82 -0.74 117.98 119.17 3coo s PHE 146 Ca 0.33 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 3coo s PHE 146 Cb 0.05 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 3coo s PHE 146 CO 0.17 0.55 0.01 -0.46 -0.10 0.00 0.00 175.22 175.38 3coo s TRP 147 N -1.59 0.65 -0.23 0.36 -0.00 0.51 -0.23 118.94 118.41 3coo s TRP 147 Ca 0.33 -0.17 -0.19 0.00 -0.00 0.00 0.00 56.10 56.07 3coo s TRP 147 Cb -0.12 -0.79 -0.03 0.00 -0.00 0.00 0.00 33.47 32.53 3coo s TRP 147 CO 0.27 -0.33 0.56 0.42 -0.00 0.00 0.00 176.95 177.86 3coo s ILE 148 N 1.98 5.06 0.51 5.86 1.01 0.62 -0.71 121.20 135.53 3coo s ILE 148 Ca 0.05 1.00 -0.22 0.00 0.00 0.00 0.00 60.65 61.48 3coo s ILE 148 Cb -0.12 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3coo s ILE 148 CO -0.05 0.11 1.24 0.00 0.00 0.00 0.00 174.94 176.24 3coo s ALA 149 N 2.04 2.86 0.79 9.38 0.00 0.14 -1.57 121.76 135.40 3coo s ALA 149 Ca 0.24 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 3coo s ALA 149 Cb -0.16 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.57 3coo s ALA 149 CO 0.09 -1.00 1.14 -1.25 0.00 0.00 0.00 175.76 174.74 3coo s PRO 150 N -2.87 2.14 0.86 0.00 0.04 -1.26 -0.86 135.00 133.05 3coo s PRO 150 Ca 0.69 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.93 3coo s PRO 150 Cb -0.33 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.36 3coo s PRO 150 CO 0.39 -1.51 1.12 -2.30 0.04 0.00 0.00 177.00 174.74 3coo n PRO 151 N -3.30 -0.09 -1.53 0.56 -0.02 -1.26 -4.20 135.00 125.16 3coo n PRO 151 Ca 0.07 0.05 -0.44 0.00 -2.02 0.00 0.00 63.50 61.16 3coo n PRO 151 Cb 0.59 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 3coo n PRO 151 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3coo n ALA 152 N -3.66 -0.85 0.00 3.55 0.00 -1.26 -2.04 120.51 116.25 3coo n ALA 152 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3coo n ALA 152 Cb 0.51 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3coo n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3coo n GLY 153 N 1.46 0.82 0.28 0.00 0.00 -1.26 -4.94 105.19 101.55 3coo n GLY 153 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3coo n GLY 153 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3coo h THR 154 N 0.00 1.19 0.00 2.61 2.02 -1.74 -3.49 112.91 113.50 3coo h THR 154 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 3coo h THR 154 Cb 0.00 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3coo h THR 154 CO 0.00 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.76 3coo n GLY 155 N -0.92 -1.95 3.77 2.16 0.00 -1.26 -4.95 105.19 102.05 3coo n GLY 155 Ca 0.02 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 3coo n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3coo s VAL 157 N -1.25 2.29 -0.23 0.00 1.01 0.62 -1.54 120.40 121.31 3coo s VAL 157 Ca 0.55 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3coo s VAL 157 Cb -0.38 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3coo s VAL 157 CO 0.49 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 175.28 3coo s ILE 158 N -0.80 2.83 -0.03 2.22 -1.09 0.14 -0.68 121.20 123.78 3coo s ILE 158 Ca 0.12 -0.88 -0.23 0.00 -2.23 0.00 0.00 60.65 57.43 3coo s ILE 158 Cb -0.10 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3coo s ILE 158 CO 0.02 0.32 0.68 -0.76 -1.23 0.00 0.00 174.94 173.98 3coo s LEU 159 N 1.35 4.36 -0.01 2.97 1.02 -0.06 -0.62 118.68 127.70 3coo s LEU 159 Ca 0.02 1.22 0.00 0.00 0.02 0.00 0.00 54.13 55.40 3coo s LEU 159 Cb -0.15 -3.07 0.01 0.00 0.02 0.00 0.00 46.19 43.00 3coo s LEU 159 CO -0.06 -0.04 -0.01 -0.54 0.02 0.00 0.00 176.35 175.72 3coo s LYS 160 N 0.44 0.13 0.14 1.70 1.02 -0.15 -0.81 119.74 122.20 3coo s LYS 160 Ca 0.36 -0.02 0.11 0.00 0.02 0.00 0.00 55.97 56.45 3coo s LYS 160 Cb -0.18 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 36.90 3coo s LYS 160 CO 0.19 -0.01 -0.26 0.00 -0.92 0.00 0.00 175.35 174.34 3coo s ALA 161 N 0.21 2.41 -0.01 5.17 0.00 0.09 -0.90 121.76 128.73 3coo s ALA 161 Ca -0.02 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.49 3coo s ALA 161 Cb -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3coo s ALA 161 CO -0.01 0.52 -0.13 0.45 0.00 0.00 0.00 175.76 176.60 3coo s SER 162 N -2.16 1.53 0.00 0.00 0.15 0.27 -4.71 113.70 108.80 3coo s SER 162 Ca 0.15 -0.25 0.08 0.00 0.70 0.00 0.00 55.95 56.63 3coo s SER 162 Cb -0.10 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 3coo s SER 162 CO 0.07 0.15 0.63 -0.38 1.20 0.00 0.00 173.24 174.91 3coo n ILE 163 N 2.68 0.00 -3.17 6.45 -0.00 -1.26 -1.37 119.36 122.69 3coo n ILE 163 Ca -0.14 -0.45 -0.41 0.00 -0.00 0.00 0.00 62.75 61.75 3coo n ILE 163 Cb 0.55 1.12 -0.07 0.00 -0.00 0.00 0.00 39.64 41.25 3coo n ILE 163 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 3coo s VAL 164 N -1.01 5.00 -0.78 1.39 -7.23 -1.26 -4.89 120.40 111.61 3coo s VAL 164 Ca 0.08 0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 60.96 3coo s VAL 164 Cb 0.07 -3.93 0.21 0.00 0.56 0.00 0.00 36.38 33.29 3coo s VAL 164 CO 0.17 -0.05 0.70 -1.10 -0.31 0.00 0.00 175.10 174.51 3coo s GLN 165 N 2.47 3.42 0.28 4.82 -1.52 -1.26 -4.85 119.66 123.01 3coo s GLN 165 Ca 0.23 -2.43 0.02 0.00 -1.95 0.00 0.00 55.36 51.23 3coo s GLN 165 Cb -0.15 -4.32 -0.05 0.00 -0.22 0.00 0.00 33.01 28.26 3coo s GLN 165 CO 0.11 -1.28 0.09 0.15 -0.25 0.00 0.00 175.29 174.11 3coo s LYS 166 N 0.22 1.48 0.21 2.91 1.02 -1.26 -5.07 119.74 119.24 3coo s LYS 166 Ca 0.17 -1.81 -0.10 0.00 0.02 0.00 0.00 55.97 54.25 3coo s LYS 166 Cb -0.13 -0.41 0.15 0.00 -0.52 0.00 0.00 37.83 36.92 3coo s LYS 166 CO -0.07 -0.27 1.86 -0.09 -0.92 0.00 0.00 175.35 175.86 3coo h ARG 167 N 2.31 1.00 -5.28 1.68 2.43 -1.98 -3.38 114.38 111.16 3coo h ARG 167 Ca -0.39 -0.08 -0.61 0.00 -0.81 0.00 0.00 59.98 58.10 3coo h ARG 167 Cb 1.25 -0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 30.44 3coo h ARG 167 CO 0.63 0.69 -0.52 0.42 -1.51 0.00 0.00 179.97 179.67 3coo s ILE 168 N -6.05 5.15 -0.37 1.20 -1.09 -1.26 -4.92 121.20 113.86 3coo s ILE 168 Ca -0.13 0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.28 3coo s ILE 168 Cb 0.15 -3.34 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 3coo s ILE 168 CO 0.78 0.45 0.19 -0.63 -1.23 0.00 0.00 174.94 174.51 3coo s ILE 169 N 0.34 4.51 -0.15 2.92 -1.09 -0.53 -5.01 121.20 122.20 3coo s ILE 169 Ca 0.06 -0.86 -0.08 0.00 -2.23 0.00 0.00 60.65 57.54 3coo s ILE 169 Cb -0.12 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3coo s ILE 169 CO -0.01 -0.21 0.12 -0.31 -1.23 0.00 0.00 174.94 173.30 3coo s TYR 170 N 1.54 3.49 0.08 3.97 1.51 -1.26 -1.33 117.35 125.35 3coo s TYR 170 Ca 0.02 0.41 0.08 0.00 -1.01 0.00 0.00 57.07 56.57 3coo s TYR 170 Cb -0.19 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 3coo s TYR 170 CO 0.06 0.53 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.80 3coo s PHE 171 N -0.45 2.56 0.12 2.71 0.40 -0.64 -4.81 117.98 117.87 3coo s PHE 171 Ca 0.12 -0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 3coo s PHE 171 Cb -0.12 -1.41 -0.07 0.00 0.51 0.00 0.00 43.02 41.93 3coo s PHE 171 CO 0.02 0.32 0.67 -0.65 0.70 0.00 0.00 175.22 176.28 3coo s GLN 172 N -1.80 4.36 0.31 0.44 -1.52 -1.26 -0.58 119.66 119.60 3coo s GLN 172 Ca 0.16 0.92 0.02 0.00 -1.95 0.00 0.00 55.36 54.51 3coo s GLN 172 Cb -0.11 -3.22 0.51 0.00 -0.22 0.00 0.00 33.01 29.98 3coo s GLN 172 CO 0.08 0.59 1.86 -0.44 -0.25 0.00 0.00 175.29 177.13 3coo h ASP 173 N 4.34 0.64 -5.07 5.90 3.32 -1.98 -3.46 116.42 120.12 3coo h ASP 173 Ca -0.48 -0.11 -0.41 0.00 0.02 0.00 0.00 57.03 56.05 3coo h ASP 173 Cb 1.21 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.45 3coo h ASP 173 CO 0.65 0.65 -0.55 -1.83 -1.72 0.00 0.00 179.24 176.44 3coo s GLU 174 N -5.14 1.58 0.00 3.56 4.04 -1.26 -4.97 118.70 116.51 3coo s GLU 174 Ca -0.09 -1.90 0.00 0.00 0.04 0.00 0.00 54.97 53.02 3coo s GLU 174 Cb 0.16 0.03 0.00 0.00 0.02 0.00 0.00 34.13 34.34 3coo s GLU 174 CO 0.78 -0.49 0.00 0.41 -1.84 0.00 0.00 175.26 174.12 3coo n GLY 175 N -0.56 -0.38 0.23 -3.83 0.00 -1.26 -4.74 105.19 94.65 3coo n GLY 175 Ca 0.02 -2.22 0.16 0.00 0.00 0.00 0.00 46.02 43.98 3coo n GLY 175 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3coo h SER 176 N 0.00 0.00 -0.63 1.61 4.64 -1.92 -2.67 113.55 114.58 3coo h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3coo h SER 176 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3coo h SER 176 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3coo n LEU 177 N -2.68 5.03 -4.03 5.97 4.77 -1.26 -0.66 117.00 124.13 3coo n LEU 177 Ca -0.00 -2.58 -0.15 0.00 -0.03 0.00 0.00 56.01 53.25 3coo n LEU 177 Cb 0.19 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.54 3coo n LEU 177 CO 0.20 0.77 -0.41 0.42 -1.33 0.00 0.00 177.39 177.04 3coo s THR 178 N -2.10 0.54 -0.02 -5.08 -4.23 -1.01 -0.73 115.64 103.01 3coo s THR 178 Ca 0.52 -0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3coo s THR 178 Cb 0.35 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.67 3coo s THR 178 CO 0.22 -0.17 0.03 -0.54 -0.54 0.00 0.00 174.62 173.62 3coo s LYS 179 N -1.03 0.03 -0.07 3.99 -0.14 0.01 -4.72 119.74 117.81 3coo s LYS 179 Ca -0.05 0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.58 3coo s LYS 179 Cb -0.07 -0.33 -0.05 0.00 -1.68 0.00 0.00 37.83 35.70 3coo s LYS 179 CO 0.00 -0.18 0.46 0.21 -0.76 0.00 0.00 175.35 175.08 3coo s LYS 180 N 1.20 4.21 -0.07 1.68 2.20 -1.26 -0.88 119.74 126.82 3coo s LYS 180 Ca -0.07 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.99 3coo s LYS 180 Cb -0.13 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 3coo s LYS 180 CO -0.03 0.35 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.75 3coo s LEU 181 N -0.01 1.17 0.37 5.43 1.43 0.15 -4.94 118.68 122.28 3coo s LEU 181 Ca 0.25 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3coo s LEU 181 Cb -0.16 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3coo s LEU 181 CO 0.12 -0.09 0.33 0.00 0.23 0.00 0.00 176.35 176.94 3coo s GLU 183 N -4.05 4.18 -1.27 0.00 2.02 -1.26 -0.83 118.70 117.49 3coo s GLU 183 Ca 0.44 2.46 -0.14 0.00 0.02 0.00 0.00 54.97 57.76 3coo s GLU 183 Cb -0.05 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 3coo s GLU 183 CO 0.27 -0.56 2.32 0.94 0.02 0.00 0.00 175.26 178.26 3coo n GLN 184 N 2.46 2.65 0.00 1.61 7.27 -1.20 -4.85 117.38 125.32 3coo n GLN 184 Ca 0.08 -2.16 0.00 0.00 0.07 0.00 0.00 57.00 54.99 3coo n GLN 184 Cb 0.38 -2.96 0.00 0.00 2.41 0.00 0.00 30.24 30.07 3coo n GLN 184 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88