#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvi s ILE 2 N 0.00 5.28 -0.08 2.02 1.09 -1.26 -3.61 121.20 124.64 1tvi s ILE 2 Ca 0.00 -0.73 0.02 0.00 -1.10 0.00 0.00 60.65 58.84 1tvi s ILE 2 Cb 0.00 -3.78 0.02 0.00 -1.06 0.00 0.00 42.46 37.63 1tvi s ILE 2 CO 0.00 -0.19 -0.11 -0.60 -0.10 0.00 0.00 174.94 173.93 1tvi s ARG 3 N -3.51 1.72 -0.13 2.79 3.52 0.10 -4.84 118.95 118.59 1tvi s ARG 3 Ca 0.35 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.52 1tvi s ARG 3 Cb -0.10 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 1tvi s ARG 3 CO 0.29 -0.06 0.04 0.42 -0.81 0.00 0.00 175.30 175.18 1tvi s ILE 4 N 0.96 4.58 0.11 4.11 1.01 -1.26 -0.73 121.20 129.98 1tvi s ILE 4 Ca -0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 1tvi s ILE 4 Cb -0.15 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.34 1tvi s ILE 4 CO 0.00 0.55 0.25 -1.48 0.00 0.00 0.00 174.94 174.26 1tvi s LEU 5 N -0.40 1.13 0.00 2.97 2.34 0.11 -4.89 118.68 119.94 1tvi s LEU 5 Ca 0.08 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.68 1tvi s LEU 5 Cb -0.12 1.25 0.00 0.00 -0.56 0.00 0.00 46.19 46.76 1tvi s LEU 5 CO 0.02 -0.78 0.00 0.61 -1.06 0.00 0.00 176.35 175.14 1tvi n GLY 6 N -0.12 -1.65 2.95 -3.48 0.00 -1.26 -1.29 105.19 100.35 1tvi n GLY 6 Ca -0.14 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 1tvi n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 7 N 0.00 0.13 0.00 1.61 2.02 -0.49 -4.74 118.70 117.23 1tvi s GLU 7 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1tvi s GLU 7 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.29 1tvi s GLU 7 CO 0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.67 1tvi n GLY 8 N 2.79 4.54 3.31 -1.39 0.00 -1.26 -3.25 105.19 109.93 1tvi n GLY 8 Ca -0.14 -0.70 -0.55 0.00 0.00 0.00 0.00 46.02 44.63 1tvi n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 9 N -1.23 0.02 0.00 1.61 4.81 -1.26 -3.12 118.16 118.99 1tvi n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tvi n LYS 9 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1tvi n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tvi n GLY 10 N 7.25 0.46 0.26 3.14 0.00 -1.26 -4.72 105.19 110.31 1tvi n GLY 10 Ca 0.57 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 1tvi n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tvi h SER 11 N 0.00 -0.63 -0.18 1.61 4.64 -1.95 0.29 113.55 117.33 1tvi h SER 11 Ca 0.00 0.08 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 1tvi h SER 11 Cb 0.00 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1tvi h SER 11 CO 0.00 -0.30 -0.43 0.07 -0.87 0.00 0.00 176.83 175.31 1tvi h LYS 12 N -0.39 0.61 -0.83 4.77 2.10 -1.95 -2.03 116.57 118.86 1tvi h LYS 12 Ca 0.04 -0.41 0.22 0.00 -2.00 0.00 0.00 60.65 58.50 1tvi h LYS 12 Cb 0.43 0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.78 1tvi h LYS 12 CO -0.15 1.03 0.58 1.25 -2.00 0.00 0.00 179.45 180.15 1tvi h LEU 13 N 0.28 0.11 0.03 7.07 5.85 -1.86 0.83 115.31 127.61 1tvi h LEU 13 Ca -0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1tvi h LEU 13 Cb 1.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1tvi h LEU 13 CO 0.09 0.04 -0.02 0.25 -0.34 0.00 0.00 178.44 178.47 1tvi h LEU 14 N 0.11 -0.04 -1.85 2.25 7.12 -0.19 -3.18 115.31 119.52 1tvi h LEU 14 Ca 0.40 -0.64 0.01 0.00 0.13 0.00 0.00 57.88 57.78 1tvi h LEU 14 Cb 1.43 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1tvi h LEU 14 CO -0.05 0.74 0.39 -0.33 -0.13 0.00 0.00 178.44 179.05 1tvi h GLU 15 N -0.92 0.00 -0.25 1.25 5.08 -0.35 0.85 114.58 120.22 1tvi h GLU 15 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1tvi h GLU 15 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1tvi h GLU 15 CO 0.01 0.00 -0.61 -0.91 -1.00 0.00 0.00 179.01 176.50 1tvi h ASN 16 N 0.00 0.98 -0.49 1.42 4.21 -0.90 -3.25 115.58 117.54 1tvi h ASN 16 Ca 0.01 -0.56 -0.36 0.00 1.21 0.00 0.00 56.30 56.60 1tvi h ASN 16 Cb 0.79 -0.28 -0.29 0.00 -1.12 0.00 0.00 38.32 37.42 1tvi h ASN 16 CO -0.00 1.36 -0.73 0.00 -1.29 0.00 0.00 177.43 176.77 1tvi n LEU 17 N -3.99 4.06 0.29 1.61 -0.00 0.22 -4.79 117.00 114.40 1tvi n LEU 17 Ca -0.05 -4.39 -0.15 0.00 -0.00 0.00 0.00 56.01 51.42 1tvi n LEU 17 Cb 0.66 -0.37 -0.08 0.00 -0.00 0.00 0.00 43.42 43.64 1tvi n LEU 17 CO 0.51 1.83 0.49 0.50 -0.00 0.00 0.00 177.39 180.72 1tvi h LYS 18 N 1.80 -0.72 -0.00 1.47 3.64 0.31 -2.66 116.57 120.41 1tvi h LYS 18 Ca 0.23 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1tvi h LYS 18 Cb 1.37 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1tvi h LYS 18 CO 0.49 -0.41 -0.14 0.93 -2.27 0.00 0.00 179.45 178.05 1tvi h GLU 19 N -1.01 0.01 -0.80 1.90 5.08 -1.85 -1.33 114.58 116.57 1tvi h GLU 19 Ca -0.08 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 19 Cb 0.64 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 19 CO 0.12 0.15 0.52 -0.22 -1.00 0.00 0.00 179.01 178.59 1tvi h LYS 20 N 0.01 0.81 0.01 2.33 1.63 -1.85 0.19 116.57 119.71 1tvi h LYS 20 Ca 0.00 -0.05 -0.23 0.00 -0.85 0.00 0.00 60.65 59.53 1tvi h LYS 20 Cb 0.26 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1tvi h LYS 20 CO 0.02 0.54 -1.11 -0.07 -3.45 0.00 0.00 179.45 175.38 1tvi h LEU 21 N 0.84 0.03 -2.78 5.20 3.38 -0.93 -3.17 115.31 117.88 1tvi h LEU 21 Ca 0.35 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1tvi h LEU 21 Cb 0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1tvi h LEU 21 CO -0.13 1.03 -0.00 -0.33 0.09 0.00 0.00 178.44 179.10 1tvi h GLU 22 N 0.01 0.00 0.01 1.13 5.08 -0.13 -0.79 114.58 119.88 1tvi h GLU 22 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tvi h GLU 22 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 1tvi h GLU 22 CO 0.13 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 179.07 1tvi h GLU 23 N 0.00 -0.01 -0.55 2.33 5.08 -1.32 0.40 114.58 120.51 1tvi h GLU 23 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 23 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1tvi h GLU 23 CO 0.00 0.59 0.14 -0.84 -1.00 0.00 0.00 179.01 177.91 1tvi h ILE 24 N -0.61 1.24 -0.11 3.13 3.07 -1.50 1.57 117.51 124.30 1tvi h ILE 24 Ca -0.00 -0.86 -0.02 0.00 1.55 0.00 0.00 64.86 65.53 1tvi h ILE 24 Cb 0.60 0.75 -0.00 0.00 -0.27 0.00 0.00 36.82 37.89 1tvi h ILE 24 CO 0.00 0.32 0.01 1.62 -1.05 0.00 0.00 178.15 179.05 1tvi h VAL 25 N 0.78 1.24 -0.18 0.16 3.04 -1.21 -0.74 116.25 119.33 1tvi h VAL 25 Ca 0.18 -0.76 -0.09 0.00 -1.01 0.00 0.00 66.70 65.02 1tvi h VAL 25 Cb 0.33 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1tvi h VAL 25 CO 0.00 0.22 -0.29 0.50 -1.01 0.00 0.00 177.57 176.99 1tvi h LYS 26 N -0.07 0.35 -0.57 4.17 3.64 -0.01 -2.35 116.57 121.73 1tvi h LYS 26 Ca 0.03 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1tvi h LYS 26 Cb 0.33 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1tvi h LYS 26 CO 0.00 0.61 0.31 -0.22 -2.27 0.00 0.00 179.45 177.89 1tvi h LYS 27 N 0.31 0.79 0.00 1.90 3.64 0.25 0.14 116.57 123.60 1tvi h LYS 27 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1tvi h LYS 27 Cb 0.67 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1tvi h LYS 27 CO 0.05 0.61 0.00 -1.91 -2.27 0.00 0.00 179.45 175.93 1tvi n GLU 28 N -4.60 0.92 -4.05 1.90 4.07 -0.31 -4.88 120.64 113.69 1tvi n GLU 28 Ca 0.03 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.83 1tvi n GLU 28 Cb 0.09 -1.41 -0.03 0.00 -0.06 0.00 0.00 31.44 30.03 1tvi n GLU 28 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1tvi n ILE 29 N -0.91 -2.72 -3.80 6.31 0.13 0.03 -4.92 119.36 113.49 1tvi n ILE 29 Ca 0.18 -0.57 -0.30 0.00 -1.10 0.00 0.00 62.75 60.97 1tvi n ILE 29 Cb 0.08 -2.31 -0.13 0.00 -0.84 0.00 0.00 39.64 36.44 1tvi n ILE 29 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1tvi s GLY 30 N -4.17 1.97 -0.66 4.50 0.00 -1.00 -5.05 107.32 102.91 1tvi s GLY 30 Ca 0.12 -2.87 -0.26 0.00 0.00 0.00 0.00 44.72 41.71 1tvi s GLY 30 CO 0.93 1.35 1.97 -0.35 0.00 0.00 0.00 173.10 176.99 1tvi s ASP 31 N 0.07 5.09 0.00 1.64 -1.08 -1.26 -4.82 116.67 116.31 1tvi s ASP 31 Ca 0.18 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1tvi s ASP 31 Cb -0.24 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 1tvi s ASP 31 CO -0.01 -2.57 0.00 1.33 0.52 0.00 0.00 175.17 174.44 1tvi n VAL 32 N 7.50 0.00 -3.66 1.11 0.24 -1.26 -5.15 118.33 117.11 1tvi n VAL 32 Ca 0.27 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.47 1tvi n VAL 32 Cb 0.51 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1tvi s HIS 33 N -1.14 -0.68 -0.35 6.34 3.76 -1.26 -4.76 115.29 117.21 1tvi s HIS 33 Ca 0.00 1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 56.16 1tvi s HIS 33 Cb 0.00 0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.92 1tvi s HIS 33 CO 0.00 -0.44 0.17 0.08 -0.85 0.00 0.00 174.74 173.70 1tvi s VAL 34 N 2.49 4.36 -0.46 -0.90 1.01 -1.24 -3.86 120.40 121.81 1tvi s VAL 34 Ca -0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1tvi s VAL 34 Cb -0.12 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1tvi s VAL 34 CO -0.11 -0.17 0.67 0.20 0.00 0.00 0.00 175.10 175.69 1tvi s ASN 35 N 1.52 6.31 -0.17 3.32 0.01 -0.57 0.01 114.94 125.38 1tvi s ASN 35 Ca 0.01 -0.42 -0.11 0.00 -0.71 0.00 0.00 52.86 51.64 1tvi s ASN 35 Cb -0.19 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1tvi s ASN 35 CO 0.05 -0.84 0.19 -0.69 -1.51 0.00 0.00 177.10 174.30 1tvi s VAL 36 N 2.91 5.38 -0.35 1.60 1.01 0.09 0.15 120.40 131.20 1tvi s VAL 36 Ca 0.22 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 1tvi s VAL 36 Cb -0.15 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1tvi s VAL 36 CO 0.18 0.46 0.11 -0.63 0.00 0.00 0.00 175.10 175.22 1tvi s ILE 37 N 0.11 3.63 -0.18 2.22 1.09 0.16 0.04 121.20 128.27 1tvi s ILE 37 Ca 0.12 -1.30 -0.29 0.00 -1.10 0.00 0.00 60.65 58.08 1tvi s ILE 37 Cb -0.12 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.16 1tvi s ILE 37 CO 0.01 -0.25 1.05 -0.76 -0.10 0.00 0.00 174.94 174.89 1tvi s LEU 38 N 1.35 4.15 -0.12 2.97 1.43 -0.41 -0.80 118.68 127.26 1tvi s LEU 38 Ca -0.01 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 1tvi s LEU 38 Cb -0.20 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1tvi s LEU 38 CO 0.01 -0.61 0.34 0.68 0.23 0.00 0.00 176.35 177.01 1tvi s VAL 39 N 2.83 0.01 0.00 -1.59 -7.23 -0.62 -1.39 120.40 112.41 1tvi s VAL 39 Ca 0.46 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1tvi s VAL 39 Cb -0.17 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1tvi s VAL 39 CO 0.10 -0.03 0.00 -1.54 -0.31 0.00 0.00 175.10 173.32 1tvi n SER 40 N 2.70 -0.08 0.01 4.85 3.41 -1.26 -3.79 113.62 119.46 1tvi n SER 40 Ca -0.14 -0.45 -0.16 0.00 -0.26 0.00 0.00 58.87 57.86 1tvi n SER 40 Cb 0.57 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1tvi h GLU 41 N 0.00 0.65 -0.04 4.33 4.81 -1.94 0.15 114.58 122.55 1tvi h GLU 41 Ca 0.00 -0.57 -0.24 0.00 -0.13 0.00 0.00 59.36 58.42 1tvi h GLU 41 Cb 0.00 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1tvi h GLU 41 CO 0.00 1.19 -0.93 0.22 -0.73 0.00 0.00 179.01 178.76 1tvi h ASP 42 N 0.43 0.77 -0.26 1.04 1.82 -1.98 0.27 116.42 118.51 1tvi h ASP 42 Ca -0.06 -0.58 -0.16 0.00 -0.39 0.00 0.00 57.03 55.83 1tvi h ASP 42 Cb 1.45 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 41.22 1tvi h ASP 42 CO 0.16 1.38 -0.45 -0.33 -1.61 0.00 0.00 179.24 178.39 1tvi h GLU 43 N 0.37 0.83 0.01 0.28 5.08 -1.90 -3.01 114.58 116.23 1tvi h GLU 43 Ca -0.09 -0.47 -0.20 0.00 -1.00 0.00 0.00 59.36 57.60 1tvi h GLU 43 Cb 1.56 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 1tvi h GLU 43 CO 0.18 1.10 -0.89 0.97 -1.00 0.00 0.00 179.01 179.37 1tvi h ILE 44 N 0.66 1.51 -0.63 3.13 2.10 -0.70 -1.39 117.51 122.19 1tvi h ILE 44 Ca 0.04 -2.67 0.13 0.00 1.08 0.00 0.00 64.86 63.43 1tvi h ILE 44 Cb 1.03 2.50 -0.10 0.00 -1.09 0.00 0.00 36.82 39.17 1tvi h ILE 44 CO 0.10 0.78 0.09 0.50 -1.08 0.00 0.00 178.15 178.54 1tvi h LYS 45 N 0.10 0.20 0.01 2.19 3.11 -0.33 0.53 116.57 122.38 1tvi h LYS 45 Ca -0.04 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1tvi h LYS 45 Cb 1.53 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 1tvi h LYS 45 CO 0.14 0.13 -0.10 0.93 -2.81 0.00 0.00 179.45 177.74 1tvi h GLU 46 N 0.21 0.04 -0.98 1.90 5.08 -1.54 -3.18 114.58 116.10 1tvi h GLU 46 Ca 0.33 -0.06 0.29 0.00 -1.00 0.00 0.00 59.36 58.93 1tvi h GLU 46 Cb 0.53 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.66 1tvi h GLU 46 CO -0.46 1.00 0.52 1.25 -1.00 0.00 0.00 179.01 180.32 1tvi h LEU 47 N -0.90 0.47 -0.51 1.33 7.12 -0.80 1.55 115.31 123.58 1tvi h LEU 47 Ca -0.02 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 1tvi h LEU 47 Cb 1.05 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.29 1tvi h LEU 47 CO 0.02 -0.09 0.25 -1.13 -0.13 0.00 0.00 178.44 177.36 1tvi h ASN 48 N 0.35 0.66 1.13 1.25 -0.73 -0.02 -1.84 115.58 116.38 1tvi h ASN 48 Ca 0.69 -0.12 -0.06 0.00 1.87 0.00 0.00 56.30 58.68 1tvi h ASN 48 Cb 1.50 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 1tvi h ASN 48 CO -0.59 0.59 -0.27 1.56 -0.37 0.00 0.00 177.43 178.35 1tvi h GLN 49 N 0.68 0.00 0.00 6.67 4.20 0.12 1.63 115.11 128.41 1tvi h GLN 49 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1tvi h GLN 49 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1tvi h GLN 49 CO -0.02 0.27 -0.00 1.96 -0.67 0.00 0.00 178.83 180.37 1tvi h GLN 50 N 0.00 0.00 0.00 1.46 4.20 0.25 -1.09 115.11 119.94 1tvi h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tvi h GLN 50 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1tvi h GLN 50 CO 0.04 0.00 -0.26 1.19 -0.67 0.00 0.00 178.83 179.13 1tvi n PHE 51 N -3.09 -0.64 0.22 2.96 3.72 -1.06 -4.81 117.46 114.77 1tvi n PHE 51 Ca -0.02 0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1tvi n PHE 51 Cb 0.13 0.29 0.39 0.00 -0.94 0.00 0.00 39.48 39.34 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tvi h ARG 52 N 0.00 0.00 -0.17 -1.08 2.47 0.22 -3.46 114.38 112.36 1tvi h ARG 52 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1tvi h ARG 52 Cb 0.26 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1tvi h ARG 52 CO 0.00 0.15 -0.07 0.41 0.56 0.00 0.00 179.97 181.02 1tvi n GLY 53 N 0.51 0.40 3.64 0.04 0.00 -0.41 -4.88 105.19 104.49 1tvi n GLY 53 Ca 0.01 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1tvi n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvi s GLN 54 N -2.11 3.28 -0.76 1.61 -0.21 -1.26 -4.83 119.66 115.39 1tvi s GLN 54 Ca 0.00 -0.42 -0.20 0.00 0.02 0.00 0.00 55.36 54.77 1tvi s GLN 54 Cb 0.00 -2.89 0.11 0.00 1.00 0.00 0.00 33.01 31.23 1tvi s GLN 54 CO 0.00 0.54 0.96 0.34 -2.12 0.00 0.00 175.29 175.01 1tvi s ASP 55 N -0.44 6.39 -0.30 5.90 -1.08 -1.26 -3.52 116.67 122.36 1tvi s ASP 55 Ca 0.08 -1.61 -0.16 0.00 -0.52 0.00 0.00 52.55 50.34 1tvi s ASP 55 Cb -0.12 -2.37 0.18 0.00 -1.46 0.00 0.00 42.92 39.15 1tvi s ASP 55 CO 0.02 -1.17 1.14 0.00 0.52 0.00 0.00 175.17 175.68 1tvi s ARG 56 N 2.98 0.19 0.91 4.34 1.70 -1.26 -5.13 118.95 122.67 1tvi s ARG 56 Ca 0.24 0.34 -0.12 0.00 -0.47 0.00 0.00 55.73 55.72 1tvi s ARG 56 Cb -0.13 0.07 0.14 0.00 -0.57 0.00 0.00 34.95 34.45 1tvi s ARG 56 CO 0.00 -0.04 1.14 -1.25 -1.08 0.00 0.00 175.30 174.07 1tvi s PRO 57 N 1.35 1.16 0.28 3.89 0.04 -1.26 -4.88 135.00 135.58 1tvi s PRO 57 Ca -0.07 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 1tvi s PRO 57 Cb -0.03 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1tvi s PRO 57 CO -0.13 -2.18 0.59 -0.08 0.04 0.00 0.00 177.00 175.24 1tvi s THR 58 N -3.28 0.00 -0.04 1.26 -1.32 -1.26 -5.07 115.64 105.93 1tvi s THR 58 Ca 0.64 -1.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.64 1tvi s THR 58 Cb -0.15 -2.23 -0.18 0.00 -1.51 0.00 0.00 72.50 68.43 1tvi s THR 58 CO 0.53 0.00 1.04 -0.78 -2.21 0.00 0.00 174.62 173.20 1tvi h ASP 59 N 2.13 -0.14 -3.51 8.08 3.58 -1.94 -3.45 116.42 121.18 1tvi h ASP 59 Ca -0.24 -0.41 -0.15 0.00 0.42 0.00 0.00 57.03 56.65 1tvi h ASP 59 Cb 1.25 0.04 -0.27 0.00 1.72 0.00 0.00 39.33 42.07 1tvi h ASP 59 CO 0.32 0.40 -0.36 0.54 -2.88 0.00 0.00 179.24 177.26 1tvi s VAL 60 N -3.78 -0.02 -0.16 2.25 0.11 -1.26 -3.90 120.40 113.64 1tvi s VAL 60 Ca -0.14 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 1tvi s VAL 60 Cb 0.01 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1tvi s VAL 60 CO 0.56 0.03 0.36 -0.76 -3.33 0.00 0.00 175.10 171.95 1tvi s LEU 61 N 0.88 4.23 -0.04 2.54 1.02 0.12 -5.02 118.68 122.41 1tvi s LEU 61 Ca -0.06 0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.69 1tvi s LEU 61 Cb -0.06 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 1tvi s LEU 61 CO -0.06 0.04 -0.08 -0.89 0.02 0.00 0.00 176.35 175.37 1tvi s THR 62 N 0.69 3.58 0.16 5.49 2.01 -1.26 -0.80 115.64 125.51 1tvi s THR 62 Ca 0.19 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.33 1tvi s THR 62 Cb -0.14 -2.49 -0.08 0.00 0.01 0.00 0.00 72.50 69.81 1tvi s THR 62 CO 0.06 0.53 0.75 -0.36 -0.69 0.00 0.00 174.62 174.91 1tvi s PHE 63 N -0.86 3.89 -0.47 4.92 0.40 -1.26 -4.96 117.98 119.64 1tvi s PHE 63 Ca 0.14 1.58 -0.28 0.00 -0.60 0.00 0.00 56.93 57.76 1tvi s PHE 63 Cb -0.11 -2.73 0.01 0.00 0.51 0.00 0.00 43.02 40.70 1tvi s PHE 63 CO 0.03 0.52 1.44 -1.25 0.70 0.00 0.00 175.22 176.66 1tvi s PRO 64 N -1.18 3.44 -0.30 0.24 0.04 -1.26 -4.91 135.00 131.07 1tvi s PRO 64 Ca 0.35 0.78 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1tvi s PRO 64 Cb -0.22 -4.08 0.17 0.00 0.04 0.00 0.00 34.50 30.41 1tvi s PRO 64 CO 0.25 -1.74 0.97 -0.48 0.04 0.00 0.00 177.00 176.05 1tvi s LEU 65 N 5.81 -0.61 -0.85 -3.56 2.34 -1.26 -5.10 118.68 115.44 1tvi s LEU 65 Ca 0.59 0.58 -0.11 0.00 0.06 0.00 0.00 54.13 55.25 1tvi s LEU 65 Cb -0.13 1.59 0.22 0.00 -0.56 0.00 0.00 46.19 47.32 1tvi s LEU 65 CO 0.30 -0.12 0.77 -0.32 -1.06 0.00 0.00 176.35 175.93 1tvi s MET 66 N 2.70 3.52 0.22 1.48 1.75 -1.26 -4.86 119.30 122.85 1tvi s MET 66 Ca 0.01 -2.66 0.01 0.00 -1.25 0.00 0.00 55.69 51.80 1tvi s MET 66 Cb -0.09 -4.31 -0.00 0.00 2.84 0.00 0.00 34.83 33.27 1tvi s MET 66 CO -0.15 -1.26 0.03 0.39 -0.65 0.00 0.00 175.02 173.38 1tvi n GLU 67 N 3.57 1.10 -0.37 4.11 -0.58 -1.26 -5.03 120.64 122.17 1tvi n GLU 67 Ca 0.15 -1.73 -0.04 0.00 -0.42 0.00 0.00 57.16 55.12 1tvi n GLU 67 Cb 0.44 0.68 0.00 0.00 -0.57 0.00 0.00 31.44 31.99 1tvi n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1tvi n GLU 68 N -0.53 -0.28 0.00 3.49 1.02 -1.26 -4.48 120.64 118.60 1tvi n GLU 68 Ca -0.07 1.45 0.00 0.00 -0.02 0.00 0.00 57.16 58.53 1tvi n GLU 68 Cb 0.30 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1tvi n ASP 69 N -5.34 0.00 0.08 1.62 5.75 -1.26 -4.75 116.55 112.65 1tvi n ASP 69 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1tvi n ASP 69 Cb 0.34 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1tvi n VAL 70 N -2.01 0.00 -2.30 2.12 3.14 -1.26 -4.71 118.33 113.31 1tvi n VAL 70 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1tvi n VAL 70 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tvi n TYR 71 N -2.84 -1.81 -2.29 1.45 9.36 -1.26 -4.81 117.16 114.97 1tvi n TYR 71 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1tvi n TYR 71 Cb 0.00 -0.91 0.00 0.00 -0.63 0.00 0.00 39.34 37.80 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tvi n GLY 72 N -0.45 5.47 3.07 2.98 0.00 -1.25 -4.86 105.19 110.15 1tvi n GLY 72 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 1tvi n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 73 N 1.93 2.65 -0.03 1.61 2.02 -1.26 -1.52 118.70 124.10 1tvi s GLU 73 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1tvi s GLU 73 Cb 0.00 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1tvi s GLU 73 CO 0.00 -0.25 0.01 0.96 0.02 0.00 0.00 175.26 176.00 1tvi s ILE 74 N 1.36 4.28 -0.20 -1.63 -4.36 0.41 -4.13 121.20 116.93 1tvi s ILE 74 Ca 0.04 -0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 59.90 1tvi s ILE 74 Cb -0.13 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 1tvi s ILE 74 CO -0.11 0.46 0.07 -0.31 0.24 0.00 0.00 174.94 175.29 1tvi s TYR 75 N -1.03 3.24 0.10 1.37 1.51 0.02 0.39 117.35 122.95 1tvi s TYR 75 Ca 0.18 0.04 0.09 0.00 -1.01 0.00 0.00 57.07 56.36 1tvi s TYR 75 Cb -0.11 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1tvi s TYR 75 CO 0.08 0.09 -0.23 0.08 -1.11 0.00 0.00 175.55 174.45 1tvi s VAL 76 N 0.59 1.92 -0.25 0.71 1.01 0.02 0.13 120.40 124.53 1tvi s VAL 76 Ca 0.04 -1.58 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1tvi s VAL 76 Cb -0.13 -1.71 0.08 0.00 0.00 0.00 0.00 36.38 34.62 1tvi s VAL 76 CO 0.01 0.03 0.10 0.00 0.00 0.00 0.00 175.10 175.25 1tvi n PRO 78 N 5.19 0.75 0.05 0.00 -0.04 -1.26 -2.82 135.00 136.86 1tvi n PRO 78 Ca -0.06 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.33 1tvi n PRO 78 Cb 0.45 -1.42 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1tvi n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tvi h LEU 79 N 0.00 -0.19 -0.73 1.53 7.12 -1.92 -0.79 115.31 120.33 1tvi h LEU 79 Ca 0.00 -0.20 -0.13 0.00 0.13 0.00 0.00 57.88 57.68 1tvi h LEU 79 Cb 0.00 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1tvi h LEU 79 CO 0.00 0.35 -0.53 0.40 -0.13 0.00 0.00 178.44 178.54 1tvi h ILE 80 N -1.00 1.35 0.06 4.05 5.03 -1.85 0.56 117.51 125.70 1tvi h ILE 80 Ca -0.02 -1.79 -0.00 0.00 -0.12 0.00 0.00 64.86 62.92 1tvi h ILE 80 Cb 0.38 1.85 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1tvi h ILE 80 CO 0.04 0.54 -0.03 0.58 -0.68 0.00 0.00 178.15 178.60 1tvi h VAL 81 N 0.23 1.08 -0.49 1.67 2.07 -1.62 -2.03 116.25 117.15 1tvi h VAL 81 Ca 0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1tvi h VAL 81 Cb 1.00 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1tvi h VAL 81 CO 0.08 0.11 0.07 -0.33 0.02 0.00 0.00 177.57 177.53 1tvi h GLU 82 N -0.27 0.83 -0.89 1.57 5.08 -1.07 -0.43 114.58 119.40 1tvi h GLU 82 Ca -0.01 -0.23 0.19 0.00 -1.00 0.00 0.00 59.36 58.32 1tvi h GLU 82 Cb 0.24 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1tvi h GLU 82 CO 0.01 0.83 0.59 1.49 -1.00 0.00 0.00 179.01 180.93 1tvi h GLU 83 N 0.70 0.43 0.01 2.33 4.81 -0.76 1.29 114.58 123.40 1tvi h GLU 83 Ca 0.15 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1tvi h GLU 83 Cb 0.41 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1tvi h GLU 83 CO 0.01 0.29 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.66 1tvi h ASN 84 N 0.45 -0.01 -0.28 1.04 2.35 -0.91 -3.22 115.58 114.98 1tvi h ASN 84 Ca 0.46 -0.73 0.08 0.00 -0.55 0.00 0.00 56.30 55.57 1tvi h ASN 84 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1tvi h ASN 84 CO -0.18 0.83 0.23 0.00 -1.65 0.00 0.00 177.43 176.65 1tvi h ALA 85 N -0.19 2.13 -0.47 -0.83 0.00 -0.13 0.35 119.26 120.12 1tvi h ALA 85 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tvi h ALA 85 Cb 0.74 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1tvi h ALA 85 CO 0.00 -0.38 0.27 0.00 0.00 0.00 0.00 179.25 179.15 1tvi h ARG 86 N 0.00 0.64 0.00 0.00 3.08 0.16 1.81 114.38 120.07 1tvi h ARG 86 Ca 0.13 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1tvi h ARG 86 Cb 0.60 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1tvi h ARG 86 CO -0.00 0.48 -0.55 1.05 -1.07 0.00 0.00 179.97 179.89 1tvi h GLU 87 N 0.62 0.00 -0.69 0.04 4.11 -1.02 -3.21 114.58 114.43 1tvi h GLU 87 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1tvi h GLU 87 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1tvi h GLU 87 CO -0.03 0.17 0.00 1.19 0.07 0.00 0.00 179.01 180.41 1tvi n PHE 88 N -3.01 1.04 -2.47 2.06 3.72 0.10 -4.92 117.46 113.98 1tvi n PHE 88 Ca 0.01 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 1tvi n PHE 88 Cb 0.63 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1tvi n ASN 89 N 1.46 -0.99 -4.86 4.37 4.05 0.58 -4.84 115.26 115.04 1tvi n ASN 89 Ca 0.24 0.49 -0.31 0.00 0.45 0.00 0.00 54.58 55.45 1tvi n ASN 89 Cb 0.66 -0.99 -0.02 0.00 1.23 0.00 0.00 39.78 40.66 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1tvi s ASN 90 N -1.98 6.48 -0.74 1.20 2.47 0.67 -4.96 114.94 118.07 1tvi s ASN 90 Ca 0.00 1.40 -0.26 0.00 0.42 0.00 0.00 52.86 54.42 1tvi s ASN 90 Cb 0.00 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1tvi s ASN 90 CO 0.00 -0.62 1.61 0.42 -3.72 0.00 0.00 177.10 174.78 1tvi s THR 91 N -2.73 3.57 0.58 -5.21 -4.23 -1.26 -4.67 115.64 101.69 1tvi s THR 91 Ca 0.56 0.10 0.31 0.00 -1.18 0.00 0.00 61.69 61.47 1tvi s THR 91 Cb -0.10 -4.44 0.44 0.00 1.34 0.00 0.00 72.50 69.73 1tvi s THR 91 CO 0.38 -1.39 1.73 0.15 -0.54 0.00 0.00 174.62 174.96 1tvi h PHE 92 N 12.08 0.00 -0.28 3.99 3.57 -1.93 0.64 116.94 135.02 1tvi h PHE 92 Ca -0.17 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.24 1tvi h PHE 92 Cb 1.08 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1tvi h PHE 92 CO 1.12 0.00 -0.19 1.05 -2.23 0.00 0.00 178.31 178.06 1tvi h GLU 93 N 0.00 0.62 0.08 1.11 4.11 -1.94 -0.91 114.58 117.65 1tvi h GLU 93 Ca 0.38 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 1tvi h GLU 93 Cb 1.91 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1tvi h GLU 93 CO -0.00 0.89 -0.04 -0.22 0.07 0.00 0.00 179.01 179.70 1tvi h LYS 94 N 0.35 -0.10 -0.87 1.06 3.11 -0.18 0.68 116.57 120.62 1tvi h LYS 94 Ca 0.05 0.01 0.16 0.00 -2.81 0.00 0.00 60.65 58.06 1tvi h LYS 94 Cb 0.73 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.92 1tvi h LYS 94 CO 0.05 0.31 0.57 1.49 -2.81 0.00 0.00 179.45 179.06 1tvi h GLU 95 N -0.54 0.55 0.14 1.90 4.22 -1.16 0.21 114.58 119.90 1tvi h GLU 95 Ca -0.01 -0.03 -0.29 0.00 0.08 0.00 0.00 59.36 59.11 1tvi h GLU 95 Cb 0.46 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tvi h GLU 95 CO 0.02 0.36 -1.33 1.25 -2.18 0.00 0.00 179.01 177.13 1tvi h LEU 96 N 0.56 0.47 -1.73 1.64 7.12 -1.01 -3.22 115.31 119.14 1tvi h LEU 96 Ca 0.44 -0.53 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1tvi h LEU 96 Cb 0.87 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 1tvi h LEU 96 CO -0.19 1.42 0.18 -0.07 -0.13 0.00 0.00 178.44 179.66 1tvi h LEU 97 N 0.08 0.31 0.47 2.25 4.07 0.29 -2.07 115.31 120.72 1tvi h LEU 97 Ca -0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 1tvi h LEU 97 Cb 2.01 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1tvi h LEU 97 CO 0.21 0.23 -0.23 -0.33 -1.08 0.00 0.00 178.44 177.24 1tvi h GLU 98 N 0.37 -0.61 -0.25 1.13 5.08 -0.73 0.21 114.58 119.78 1tvi h GLU 98 Ca 0.10 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1tvi h GLU 98 Cb -0.03 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1tvi h GLU 98 CO -0.02 -0.35 0.28 -0.39 -1.00 0.00 0.00 179.01 177.53 1tvi h VAL 99 N -0.75 0.43 0.15 3.13 -1.51 -1.49 1.53 116.25 117.74 1tvi h VAL 99 Ca -0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1tvi h VAL 99 Cb 0.54 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1tvi h VAL 99 CO 0.11 0.00 -0.07 0.58 -1.23 0.00 0.00 177.57 176.95 1tvi h VAL 100 N 0.00 0.41 0.00 7.19 2.07 -0.68 -3.23 116.25 122.01 1tvi h VAL 100 Ca 0.12 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1tvi h VAL 100 Cb 0.68 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1tvi h VAL 100 CO -0.00 0.12 0.00 0.16 0.02 0.00 0.00 177.57 177.87 1tvi h ILE 101 N -1.01 0.00 -0.99 4.57 3.07 0.41 -2.62 117.51 120.94 1tvi h ILE 101 Ca -0.02 -0.23 0.18 0.00 1.55 0.00 0.00 64.86 66.34 1tvi h ILE 101 Cb 0.35 1.01 -0.10 0.00 -0.27 0.00 0.00 36.82 37.82 1tvi h ILE 101 CO 0.03 0.00 0.61 -0.74 -1.05 0.00 0.00 178.15 177.01 1tvi h HIS 102 N 0.00 0.98 -0.23 0.16 2.76 0.21 3.32 115.15 122.36 1tvi h HIS 102 Ca 0.00 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 1tvi h HIS 102 Cb 0.29 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 1tvi h HIS 102 CO 0.00 0.25 -0.57 0.78 -1.30 0.00 0.00 177.93 177.10 1tvi h GLY 103 N 0.73 0.78 2.00 5.26 0.00 -1.60 -3.01 103.07 107.24 1tvi h GLY 103 Ca 0.55 -0.93 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1tvi h GLY 103 CO -0.33 0.83 -0.60 -2.22 0.00 0.00 0.00 176.54 174.23 1tvi h ILE 104 N 0.54 1.02 -0.63 2.60 2.04 -0.82 -3.25 117.51 119.01 1tvi h ILE 104 Ca 0.01 -2.44 0.08 0.00 1.00 0.00 0.00 64.86 63.50 1tvi h ILE 104 Cb 1.15 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 39.67 1tvi h ILE 104 CO 0.12 0.58 0.30 0.17 0.00 0.00 0.00 178.15 179.31 1tvi h LEU 105 N 0.00 0.39 0.81 1.44 8.10 0.61 1.08 115.31 127.74 1tvi h LEU 105 Ca -0.01 0.05 -0.04 0.00 0.11 0.00 0.00 57.88 58.00 1tvi h LEU 105 Cb 1.46 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 41.67 1tvi h LEU 105 CO 0.08 0.24 -0.47 0.45 -4.11 0.00 0.00 178.44 174.63 1tvi h HIS 106 N 0.54 -1.24 -0.04 0.17 -0.00 -1.57 -1.49 115.15 111.51 1tvi h HIS 106 Ca 0.30 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1tvi h HIS 106 Cb 0.29 0.44 -0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1tvi h HIS 106 CO -0.12 -0.71 0.06 1.25 -0.00 0.00 0.00 177.93 178.41 1tvi h LEU 107 N -1.19 0.00 -1.95 2.43 5.85 -1.55 1.00 115.31 119.90 1tvi h LEU 107 Ca -0.11 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1tvi h LEU 107 Cb 0.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1tvi h LEU 107 CO 0.13 0.00 0.23 0.00 -0.34 0.00 0.00 178.44 178.46 1tvi h ALA 108 N 1.92 2.24 0.00 1.25 0.00 0.23 -3.47 119.26 121.43 1tvi h ALA 108 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1tvi h ALA 108 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tvi h ALA 108 CO -0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1tvi n GLY 109 N -1.59 -2.10 1.08 0.00 0.00 0.34 -5.05 105.19 97.88 1tvi n GLY 109 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N 2.55 -2.98 -2.81 1.61 0.18 -1.26 -4.56 117.16 109.89 1tvi n TYR 110 Ca 0.00 1.58 -0.09 0.00 1.88 0.00 0.00 57.90 61.27 1tvi n TYR 110 Cb 0.00 -2.72 0.03 0.00 -0.38 0.00 0.00 39.34 36.27 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1tvi n ASP 111 N -0.84 -2.63 0.04 9.48 8.00 -1.26 -4.85 116.55 124.49 1tvi n ASP 111 Ca 0.00 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.33 1tvi n ASP 111 Cb 0.00 1.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1tvi n ASP 111 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1tvi n HIS 112 N 1.84 -2.21 0.00 1.24 -0.00 -1.26 -5.12 115.22 109.71 1tvi n HIS 112 Ca 0.12 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1tvi n HIS 112 Cb 0.61 0.95 0.00 0.00 -0.12 0.00 0.00 29.99 31.43 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1tvi n GLU 113 N -2.64 0.00 -0.41 1.57 2.13 -1.26 -5.04 120.64 114.99 1tvi n GLU 113 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1tvi n GLU 113 Cb 0.00 0.00 0.19 0.00 0.27 0.00 0.00 31.44 31.90 1tvi n GLU 113 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1tvi n PHE 114 N 0.00 0.43 0.01 4.31 -1.74 -1.26 -4.66 117.46 114.55 1tvi n PHE 114 Ca 0.00 -1.20 -0.00 0.00 -0.56 0.00 0.00 57.45 55.69 1tvi n PHE 114 Cb 0.00 -0.28 -0.00 0.00 1.52 0.00 0.00 39.48 40.72 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1tvi n GLU 115 N -1.10 0.01 -1.46 3.97 4.07 -1.26 -4.47 120.64 120.40 1tvi n GLU 115 Ca 0.21 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.88 1tvi n GLU 115 Cb 0.79 -0.51 -0.01 0.00 -0.06 0.00 0.00 31.44 31.65 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1tvi n ASP 116 N -3.10 -0.65 0.00 4.31 9.92 -1.26 -3.01 116.55 122.77 1tvi n ASP 116 Ca -0.00 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1tvi n ASP 116 Cb 0.42 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 1tvi n ASP 116 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1tvi n LYS 117 N 0.78 0.00 -3.62 -1.24 4.01 -1.26 -4.69 118.16 112.14 1tvi n LYS 117 Ca 0.13 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.91 1tvi n LYS 117 Cb 0.34 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.85 1tvi n LYS 117 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1tvi s ASN 118 N -4.00 -0.12 -0.41 4.39 4.22 -1.16 -5.11 114.94 112.75 1tvi s ASN 118 Ca 0.00 -0.11 0.06 0.00 -2.14 0.00 0.00 52.86 50.67 1tvi s ASN 118 Cb 0.00 0.20 0.20 0.00 1.28 0.00 0.00 41.25 42.93 1tvi s ASN 118 CO 0.00 -0.36 0.45 -0.24 -2.04 0.00 0.00 177.10 174.91 1tvi n SER 119 N -0.34 -0.58 0.11 3.54 2.88 -1.26 -4.70 113.62 113.27 1tvi n SER 119 Ca -0.05 -2.55 -0.23 0.00 -1.33 0.00 0.00 58.87 54.71 1tvi n SER 119 Cb 0.61 -0.33 -0.15 0.00 -0.75 0.00 0.00 64.21 63.59 1tvi n SER 119 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1tvi h LYS 120 N 4.99 0.51 -0.24 -1.46 3.64 -1.99 -2.99 116.57 119.04 1tvi h LYS 120 Ca 0.17 -0.81 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 1tvi h LYS 120 Cb 0.92 0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1tvi h LYS 120 CO 0.37 1.38 -0.16 1.49 -2.27 0.00 0.00 179.45 180.26 1tvi h GLU 121 N 0.06 0.40 -0.38 1.90 4.81 -2.00 -2.56 114.58 116.82 1tvi h GLU 121 Ca -0.21 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 1tvi h GLU 121 Cb 1.97 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.29 1tvi h GLU 121 CO 0.24 0.56 -0.18 1.98 -0.73 0.00 0.00 179.01 180.88 1tvi h MET 122 N 0.37 0.71 -0.77 1.92 4.05 -1.95 -2.63 114.93 116.63 1tvi h MET 122 Ca 0.07 -0.26 0.21 0.00 -0.28 0.00 0.00 59.70 59.44 1tvi h MET 122 Cb 0.51 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1tvi h MET 122 CO 0.03 0.84 0.55 0.35 0.23 0.00 0.00 176.91 178.92 1tvi h PHE 123 N 0.63 0.09 0.04 1.39 3.04 -1.29 0.19 116.94 121.02 1tvi h PHE 123 Ca 0.10 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.81 1tvi h PHE 123 Cb 0.65 -0.03 0.02 0.00 2.56 0.00 0.00 35.95 39.16 1tvi h PHE 123 CO 0.03 0.03 -0.98 0.93 -2.02 0.00 0.00 178.31 176.30 1tvi h GLU 124 N 0.07 0.59 0.00 1.11 5.08 -1.53 -1.40 114.58 118.50 1tvi h GLU 124 Ca 0.37 -0.69 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1tvi h GLU 124 Cb 1.38 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1tvi h GLU 124 CO -0.03 1.29 -0.20 0.87 -1.00 0.00 0.00 179.01 179.93 1tvi h LYS 125 N 0.20 0.00 0.09 2.33 1.57 -0.69 0.19 116.57 120.26 1tvi h LYS 125 Ca -0.13 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.39 1tvi h LYS 125 Cb 1.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1tvi h LYS 125 CO 0.19 0.20 -1.17 0.37 -0.57 0.00 0.00 179.45 178.47 1tvi h GLN 126 N 0.00 0.19 0.00 3.15 4.15 -0.81 -3.11 115.11 118.69 1tvi h GLN 126 Ca -0.00 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1tvi h GLN 126 Cb 0.36 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1tvi h GLN 126 CO 0.03 1.16 0.00 0.87 -1.93 0.00 0.00 178.83 178.95 1tvi h LYS 127 N 0.05 0.00 0.22 1.69 1.57 -0.46 -1.46 116.57 118.18 1tvi h LYS 127 Ca -0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1tvi h LYS 127 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1tvi h LYS 127 CO 0.18 0.00 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.74 1tvi h LYS 128 N 0.00 -0.29 0.00 3.15 3.64 -0.61 -2.45 116.57 120.01 1tvi h LYS 128 Ca 0.00 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1tvi h LYS 128 Cb 0.78 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1tvi h LYS 128 CO 0.00 0.08 -0.48 1.88 -2.27 0.00 0.00 179.45 178.66 1tvi h TYR 129 N -0.92 0.00 0.52 1.91 0.05 -1.58 -0.67 116.97 116.28 1tvi h TYR 129 Ca -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1tvi h TYR 129 Cb 0.49 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 1tvi h TYR 129 CO 0.06 0.48 -0.25 0.28 -1.05 0.00 0.00 178.16 177.68 1tvi h VAL 130 N 0.00 0.49 -0.22 -2.88 2.07 -1.31 0.78 116.25 115.18 1tvi h VAL 130 Ca -0.00 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1tvi h VAL 130 Cb 0.85 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1tvi h VAL 130 CO 0.06 0.00 -0.27 1.05 0.02 0.00 0.00 177.57 178.43 1tvi h GLU 131 N -0.71 0.43 -0.16 1.57 4.11 -1.39 1.69 114.58 120.12 1tvi h GLU 131 Ca -0.07 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 1tvi h GLU 131 Cb 0.54 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1tvi h GLU 131 CO 0.12 0.67 0.03 0.93 0.07 0.00 0.00 179.01 180.82 1tvi h GLU 132 N 0.38 0.26 0.04 1.06 5.08 -0.79 1.45 114.58 122.05 1tvi h GLU 132 Ca 0.05 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 1tvi h GLU 132 Cb 0.68 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1tvi h GLU 132 CO 0.05 0.44 -1.06 0.28 -1.00 0.00 0.00 179.01 177.72 1tvi h VAL 133 N 0.04 1.65 0.00 3.13 2.07 0.73 -2.99 116.25 120.88 1tvi h VAL 133 Ca 0.05 -3.29 0.00 0.00 0.82 0.00 0.00 66.70 64.28 1tvi h VAL 133 Cb 0.30 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1tvi h VAL 133 CO 0.00 0.95 0.00 1.87 0.02 0.00 0.00 177.57 180.41 1tvi n TRP 134 N -3.42 0.56 -0.19 1.57 -0.00 0.57 -3.41 117.44 113.13 1tvi n TRP 134 Ca -0.03 0.17 0.30 0.00 -0.00 0.00 0.00 57.50 57.94 1tvi n TRP 134 Cb 0.96 -0.77 0.72 0.00 -0.00 0.00 0.00 31.31 32.22 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 4.59 0.00 0.00 5.87 0.00 0.22 1.57 103.07 115.32 1tvi h GLY 135 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1tvi h GLY 135 CO 0.00 0.00 -0.58 -2.09 0.00 0.00 0.00 176.54 173.87 1tvi h GLU 136 N 0.00 0.00 -0.01 4.80 4.81 -1.77 -3.34 114.58 119.08 1tvi h GLU 136 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1tvi h GLU 136 Cb 1.86 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 1tvi h GLU 136 CO -0.00 0.29 0.17 -1.49 -0.73 0.00 0.00 179.01 177.25 1tvi h TRP 137 N -1.00 0.00 -0.80 0.92 4.06 -1.53 0.29 115.95 117.88 1tvi h TRP 137 Ca -0.08 0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.10 1tvi h TRP 137 Cb 0.64 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.77 1tvi h TRP 137 CO -0.08 0.00 0.66 0.00 -3.56 0.00 0.00 178.44 175.46 1tvi h ARG 138 N 0.00 0.00 0.00 0.49 2.47 0.21 1.85 114.38 119.40 1tvi h ARG 138 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 138 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1tvi h ARG 138 CO -0.00 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.96 1tvi n SER 139 N -4.00 0.00 -3.40 7.04 7.64 0.09 -3.68 113.62 117.31 1tvi n SER 139 Ca 0.17 0.25 -0.27 0.00 1.01 0.00 0.00 58.87 60.03 1tvi n SER 139 Cb 0.95 -0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1tvi n SER 139 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1tvi n ASN 140 N -1.37 -0.36 0.00 6.43 3.02 0.63 -5.04 115.26 118.57 1tvi n ASN 140 Ca 0.05 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 1tvi n ASN 140 Cb 0.13 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tvi n PRO 141 N 2.76 0.00 -1.18 3.52 -0.04 -1.24 -4.86 135.00 133.95 1tvi n PRO 141 Ca 0.29 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 1tvi n PRO 141 Cb 0.48 -0.24 -0.02 0.00 -0.04 0.00 0.00 33.50 33.67 1tvi n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tvi n SER 142 N -0.12 -1.10 -0.01 3.54 3.41 -1.26 -4.88 113.62 113.20 1tvi n SER 142 Ca 0.00 0.95 0.04 0.00 -0.26 0.00 0.00 58.87 59.60 1tvi n SER 142 Cb 0.00 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.07 1tvi n SER 142 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1tvi n GLU 143 N 0.86 0.50 -0.05 4.33 0.28 -1.26 -4.71 120.64 120.59 1tvi n GLU 143 Ca 0.15 -0.08 -0.01 0.00 -0.16 0.00 0.00 57.16 57.06 1tvi n GLU 143 Cb 0.22 -1.23 -0.00 0.00 1.43 0.00 0.00 31.44 31.85 1tvi n GLU 143 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1tvi h ASP 144 N 0.00 0.00 -5.91 -1.84 5.19 -2.01 -3.51 116.42 108.34 1tvi h ASP 144 Ca -0.02 0.00 0.37 0.00 -0.62 0.00 0.00 57.03 56.76 1tvi h ASP 144 Cb 0.55 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.93 1tvi h ASP 144 CO 0.00 0.51 0.94 -0.44 -3.12 0.00 0.00 179.24 177.13 1tvi s SER 145 N -5.35 -0.02 0.00 6.45 0.01 -1.26 -5.19 113.70 108.34 1tvi s SER 145 Ca -0.04 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1tvi s SER 145 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1tvi s SER 145 CO 0.05 -0.12 0.00 -0.67 0.41 0.00 0.00 173.24 172.91 1tvi n ASP 146 N -0.57 0.00 -0.00 2.44 2.03 -1.26 -4.86 116.55 114.33 1tvi n ASP 146 Ca -0.07 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.06 1tvi n ASP 146 Cb 0.63 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.93 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tvi h PRO 147 N 0.00 0.49 0.00 -0.67 0.13 -2.04 -3.47 132.00 126.44 1tvi h PRO 147 Ca 0.00 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1tvi h PRO 147 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1tvi h PRO 147 CO 0.00 1.12 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 1tvi n GLY 148 N 0.94 -0.54 3.34 1.56 0.00 -1.26 -5.11 105.19 104.12 1tvi n GLY 148 Ca -0.10 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.48 1tvi n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tvi s LYS 149 N 0.00 3.29 0.00 1.61 2.47 -1.26 -5.31 119.74 120.54 1tvi s LYS 149 Ca 0.00 -1.96 0.00 0.00 -1.56 0.00 0.00 55.97 52.45 1tvi s LYS 149 Cb 0.00 -4.39 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 1tvi s LYS 149 CO 0.00 -1.38 0.39 0.54 0.16 0.00 0.00 175.35 175.06