#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 5.16 -0.13 3.17 1.09 -1.26 -4.79 121.20 124.44 1tvi s ILE 2 Ca 0.00 -0.47 -0.03 0.00 -1.10 0.00 0.00 60.65 59.05 1tvi s ILE 2 Cb 0.00 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.56 1tvi s ILE 2 CO 0.00 -0.36 -0.01 -0.13 -0.10 0.00 0.00 174.94 174.33 1tvi s ARG 3 N -3.84 3.44 -0.17 2.79 0.52 -0.73 -4.99 118.95 115.97 1tvi s ARG 3 Ca 0.39 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 1tvi s ARG 3 Cb -0.10 -2.90 0.05 0.00 0.52 0.00 0.00 34.95 32.52 1tvi s ARG 3 CO 0.32 0.42 -0.04 0.42 0.02 0.00 0.00 175.30 176.44 1tvi s ILE 4 N -0.11 1.07 0.30 1.52 1.01 -1.26 -1.41 121.20 122.32 1tvi s ILE 4 Ca 0.03 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.10 1tvi s ILE 4 Cb -0.13 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1tvi s ILE 4 CO 0.02 0.06 0.10 -1.48 0.00 0.00 0.00 174.94 173.64 1tvi s LEU 5 N 1.64 3.32 0.00 2.97 2.34 0.41 -4.92 118.68 124.44 1tvi s LEU 5 Ca -0.00 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 53.54 1tvi s LEU 5 Cb -0.16 -1.83 0.00 0.00 -0.56 0.00 0.00 46.19 43.65 1tvi s LEU 5 CO -0.07 -0.15 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 1tvi n GLY 6 N -1.07 -0.45 3.55 -3.48 0.00 -1.26 -1.51 105.19 100.97 1tvi n GLY 6 Ca -0.05 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1tvi n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 7 N 0.00 0.91 0.00 1.61 1.03 0.04 -4.80 118.70 117.49 1tvi s GLU 7 Ca 0.00 0.31 0.00 0.00 0.03 0.00 0.00 54.97 55.31 1tvi s GLU 7 Cb 0.00 0.43 0.00 0.00 -0.80 0.00 0.00 34.13 33.76 1tvi s GLU 7 CO 0.00 -0.26 0.00 0.41 -1.33 0.00 0.00 175.26 174.08 1tvi n GLY 8 N 1.07 4.63 3.34 -3.83 0.00 -1.26 -3.50 105.19 105.64 1tvi n GLY 8 Ca -0.16 -1.04 -0.48 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.86 0.00 0.00 1.61 4.81 -1.26 -2.63 118.16 118.83 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 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.57 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 6.82 1.20 0.23 3.14 0.00 -1.26 -4.69 105.19 110.62 1tvi n GLY 10 Ca 0.60 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.54 -0.15 1.61 4.64 -1.92 0.31 113.55 117.50 1tvi h SER 11 Ca 0.00 0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 1tvi h SER 11 Cb 0.00 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1tvi h SER 11 CO 0.00 -0.25 -0.43 0.07 -0.87 0.00 0.00 176.83 175.35 1tvi h LYS 12 N -0.30 0.56 -0.97 4.77 2.10 -1.95 -2.24 116.57 118.54 1tvi h LYS 12 Ca 0.06 -0.40 0.23 0.00 -2.00 0.00 0.00 60.65 58.54 1tvi h LYS 12 Cb 0.37 0.07 -0.08 0.00 -0.90 0.00 0.00 32.23 31.69 1tvi h LYS 12 CO -0.17 1.02 0.64 1.25 -2.00 0.00 0.00 179.45 180.18 1tvi h LEU 13 N 0.19 0.43 0.10 7.07 5.85 -1.86 0.94 115.31 128.03 1tvi h LEU 13 Ca -0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1tvi h LEU 13 Cb 1.05 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1tvi h LEU 13 CO 0.09 0.14 -0.05 0.25 -0.34 0.00 0.00 178.44 178.53 1tvi h LEU 14 N 0.41 -0.11 -1.79 2.25 7.12 -0.24 -3.00 115.31 119.95 1tvi h LEU 14 Ca 0.53 -0.47 0.01 0.00 0.13 0.00 0.00 57.88 58.08 1tvi h LEU 14 Cb 1.32 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.48 1tvi h LEU 14 CO -0.23 0.49 0.42 -0.33 -0.13 0.00 0.00 178.44 178.66 1tvi h GLU 15 N -0.79 0.00 -0.01 1.25 5.08 -0.42 0.78 114.58 120.47 1tvi h GLU 15 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1tvi h GLU 15 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1tvi h GLU 15 CO 0.02 0.00 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.04 1tvi h ASN 16 N 0.00 0.09 -0.84 1.42 4.21 -0.77 -3.30 115.58 116.39 1tvi h ASN 16 Ca 0.02 -0.72 -0.58 0.00 1.21 0.00 0.00 56.30 56.22 1tvi h ASN 16 Cb 0.85 -0.03 -0.34 0.00 -1.12 0.00 0.00 38.32 37.68 1tvi h ASN 16 CO -0.00 0.80 0.05 0.00 -1.29 0.00 0.00 177.43 176.99 1tvi n LEU 17 N -4.66 6.20 0.04 1.61 -0.00 0.96 -4.66 117.00 116.48 1tvi n LEU 17 Ca -0.09 -4.45 -0.12 0.00 -0.00 0.00 0.00 56.01 51.35 1tvi n LEU 17 Cb 0.40 -0.67 -0.09 0.00 -0.00 0.00 0.00 43.42 43.07 1tvi n LEU 17 CO 0.36 1.73 0.52 0.50 -0.00 0.00 0.00 177.39 180.50 1tvi h LYS 18 N 1.99 -0.15 0.00 1.47 3.64 0.29 -2.95 116.57 120.85 1tvi h LYS 18 Ca 0.48 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1tvi h LYS 18 Cb 1.24 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1tvi h LYS 18 CO 1.13 0.31 -0.02 1.05 -2.27 0.00 0.00 179.45 179.64 1tvi h GLU 19 N -0.70 0.00 -0.67 1.90 4.11 -1.85 0.04 114.58 117.41 1tvi h GLU 19 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.35 1tvi h GLU 19 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1tvi h GLU 19 CO 0.03 0.02 0.16 -0.22 0.07 0.00 0.00 179.01 179.07 1tvi h LYS 20 N 0.00 1.07 0.00 1.06 1.63 -1.85 -2.38 116.57 116.11 1tvi h LYS 20 Ca -0.00 -0.26 -0.16 0.00 -0.85 0.00 0.00 60.65 59.38 1tvi h LYS 20 Cb 0.06 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1tvi h LYS 20 CO 0.00 0.96 -0.79 -0.07 -3.45 0.00 0.00 179.45 176.11 1tvi h LEU 21 N 1.00 0.00 -1.78 5.20 3.38 -1.00 -3.08 115.31 119.04 1tvi h LEU 21 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1tvi h LEU 21 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1tvi h LEU 21 CO 0.00 0.79 0.00 -0.33 0.09 0.00 0.00 178.44 178.99 1tvi h GLU 22 N 0.00 0.00 0.01 1.13 5.08 -0.55 -2.34 114.58 117.91 1tvi h GLU 22 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 22 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1tvi h GLU 22 CO 0.10 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 179.04 1tvi h GLU 23 N 0.00 -0.02 -0.53 2.33 5.08 -1.37 -2.33 114.58 117.74 1tvi h GLU 23 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1tvi h GLU 23 Cb 0.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 1tvi h GLU 23 CO 0.00 0.53 0.05 -0.84 -1.00 0.00 0.00 179.01 177.74 1tvi h ILE 24 N -0.99 0.62 -0.28 3.13 3.07 -1.57 0.40 117.51 121.89 1tvi h ILE 24 Ca -0.00 -0.06 -0.03 0.00 1.55 0.00 0.00 64.86 66.32 1tvi h ILE 24 Cb 0.55 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 37.53 1tvi h ILE 24 CO 0.00 0.03 0.03 -0.37 -1.05 0.00 0.00 178.15 176.79 1tvi h VAL 25 N 0.17 1.15 -0.15 0.16 -1.51 -1.56 -1.19 116.25 113.32 1tvi h VAL 25 Ca 0.27 -0.58 0.03 0.00 -1.23 0.00 0.00 66.70 65.19 1tvi h VAL 25 Cb 0.41 0.91 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1tvi h VAL 25 CO -0.41 0.20 -0.03 0.50 -1.23 0.00 0.00 177.57 176.60 1tvi h LYS 26 N 0.40 0.00 -0.50 5.19 1.63 0.33 1.55 116.57 125.18 1tvi h LYS 26 Ca 0.09 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1tvi h LYS 26 Cb 0.22 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1tvi h LYS 26 CO 0.00 0.00 0.05 -0.22 -3.45 0.00 0.00 179.45 175.84 1tvi h LYS 27 N 0.00 0.80 0.55 1.90 3.64 -0.71 -3.19 116.57 119.57 1tvi h LYS 27 Ca 0.07 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1tvi h LYS 27 Cb 0.11 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1tvi h LYS 27 CO -0.15 0.77 -0.26 1.49 -2.27 0.00 0.00 179.45 179.03 1tvi h GLU 28 N 0.76 -0.71 0.00 1.90 4.57 -0.14 -3.47 114.58 117.48 1tvi h GLU 28 Ca 0.16 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1tvi h GLU 28 Cb 0.38 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1tvi h GLU 28 CO 0.01 -0.48 0.00 1.51 -1.18 0.00 0.00 179.01 178.88 1tvi n ILE 29 N -4.85 0.00 0.00 2.32 3.06 0.49 -5.07 119.36 115.31 1tvi n ILE 29 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1tvi n ILE 29 Cb 0.29 -0.26 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1tvi n GLY 30 N 0.16 0.98 3.54 4.50 0.00 0.11 -4.76 105.19 109.74 1tvi n GLY 30 Ca 0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1tvi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tvi s ASP 31 N -4.00 6.24 0.00 1.61 -1.08 -1.26 -4.48 116.67 113.70 1tvi s ASP 31 Ca 0.00 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.31 1tvi s ASP 31 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1tvi s ASP 31 CO 0.00 -1.73 0.00 1.33 0.52 0.00 0.00 175.17 175.29 1tvi n VAL 32 N 6.44 0.00 -3.33 1.11 0.24 -1.26 -5.13 118.33 116.39 1tvi n VAL 32 Ca 0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.27 1tvi n VAL 32 Cb 0.49 -0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 32.24 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 0.24 -0.80 -0.33 6.34 3.76 -1.26 -4.93 115.29 118.31 1tvi s HIS 33 Ca 0.00 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1tvi s HIS 33 Cb 0.00 -0.26 0.08 0.00 1.11 0.00 0.00 32.58 33.52 1tvi s HIS 33 CO 0.00 -0.97 0.04 0.08 -0.85 0.00 0.00 174.74 173.03 1tvi s VAL 34 N 2.36 2.59 -0.47 -0.90 1.01 -1.26 -3.80 120.40 119.93 1tvi s VAL 34 Ca 0.10 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.94 1tvi s VAL 34 Cb -0.13 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.57 1tvi s VAL 34 CO -0.28 -0.40 0.59 0.20 0.00 0.00 0.00 175.10 175.22 1tvi s ASN 35 N 1.20 6.25 -0.10 3.32 0.01 -0.77 -1.77 114.94 123.08 1tvi s ASN 35 Ca 0.03 -0.68 -0.10 0.00 -0.71 0.00 0.00 52.86 51.41 1tvi s ASN 35 Cb -0.20 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1tvi s ASN 35 CO -0.05 -0.79 0.22 -0.69 -1.51 0.00 0.00 177.10 174.27 1tvi s VAL 36 N 2.59 5.37 -0.30 1.60 1.01 -0.50 -0.67 120.40 129.50 1tvi s VAL 36 Ca 0.17 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.52 1tvi s VAL 36 Cb -0.17 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1tvi s VAL 36 CO 0.15 0.57 0.01 -0.63 0.00 0.00 0.00 175.10 175.20 1tvi s ILE 37 N -0.79 3.07 -0.26 2.22 1.09 -0.50 0.16 121.20 126.19 1tvi s ILE 37 Ca 0.17 -1.32 -0.21 0.00 -1.10 0.00 0.00 60.65 58.19 1tvi s ILE 37 Cb -0.13 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.51 1tvi s ILE 37 CO 0.06 -0.09 0.65 -0.76 -0.10 0.00 0.00 174.94 174.70 1tvi s LEU 38 N 1.28 4.07 -0.08 2.97 1.43 -0.57 0.14 118.68 127.92 1tvi s LEU 38 Ca -0.04 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1tvi s LEU 38 Cb -0.19 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.16 1tvi s LEU 38 CO -0.01 -0.39 0.20 0.68 0.23 0.00 0.00 176.35 177.06 1tvi s VAL 39 N 2.55 -0.00 0.00 -1.59 -7.23 -0.65 -0.78 120.40 112.69 1tvi s VAL 39 Ca 0.27 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1tvi s VAL 39 Cb -0.15 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1tvi s VAL 39 CO 0.08 0.01 0.00 -1.20 -0.31 0.00 0.00 175.10 173.68 1tvi n SER 40 N 3.08 -0.56 -0.03 4.85 7.64 -1.26 -3.92 113.62 123.42 1tvi n SER 40 Ca -0.14 -0.46 -0.14 0.00 1.01 0.00 0.00 58.87 59.15 1tvi n SER 40 Cb 0.58 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.67 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tvi h GLU 41 N 0.00 0.07 0.00 1.43 4.81 -1.94 0.45 114.58 119.40 1tvi h GLU 41 Ca 0.00 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1tvi h GLU 41 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1tvi h GLU 41 CO 0.00 0.73 -0.42 0.22 -0.73 0.00 0.00 179.01 178.81 1tvi h ASP 42 N -0.56 0.00 0.15 1.04 1.82 -1.98 0.47 116.42 117.35 1tvi h ASP 42 Ca -0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.36 1tvi h ASP 42 Cb 0.74 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.78 1tvi h ASP 42 CO 0.01 0.42 -1.15 -0.33 -1.61 0.00 0.00 179.24 176.59 1tvi h GLU 43 N 0.00 0.52 -0.03 0.28 5.08 -1.90 -3.27 114.58 115.26 1tvi h GLU 43 Ca -0.00 -0.75 -0.18 0.00 -1.00 0.00 0.00 59.36 57.42 1tvi h GLU 43 Cb 0.87 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1tvi h GLU 43 CO 0.05 1.34 -0.79 0.97 -1.00 0.00 0.00 179.01 179.59 1tvi h ILE 44 N 0.07 1.44 -0.83 3.13 2.10 0.03 -2.24 117.51 121.21 1tvi h ILE 44 Ca -0.18 -2.37 0.18 0.00 1.08 0.00 0.00 64.86 63.57 1tvi h ILE 44 Cb 1.86 2.29 -0.11 0.00 -1.09 0.00 0.00 36.82 39.77 1tvi h ILE 44 CO 0.22 0.70 0.33 0.50 -1.08 0.00 0.00 178.15 178.81 1tvi h LYS 45 N 0.16 0.39 0.02 2.19 3.11 -0.13 0.17 116.57 122.48 1tvi h LYS 45 Ca -0.03 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1tvi h LYS 45 Cb 1.38 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.52 1tvi h LYS 45 CO 0.12 0.26 -0.17 0.93 -2.81 0.00 0.00 179.45 177.79 1tvi h GLU 46 N 0.40 0.08 -1.19 1.90 5.08 -1.59 -3.09 114.58 116.17 1tvi h GLU 46 Ca 0.49 -0.11 0.34 0.00 -1.00 0.00 0.00 59.36 59.08 1tvi h GLU 46 Cb 0.86 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1tvi h GLU 46 CO -0.49 0.98 0.95 1.25 -1.00 0.00 0.00 179.01 180.70 1tvi h LEU 47 N -0.77 0.00 0.08 1.33 7.12 -0.68 0.68 115.31 123.07 1tvi h LEU 47 Ca -0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 1tvi h LEU 47 Cb 1.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1tvi h LEU 47 CO 0.03 0.00 -0.04 -1.13 -0.13 0.00 0.00 178.44 177.17 1tvi h ASN 48 N 0.00 -0.09 0.05 1.25 -0.73 -0.70 -3.18 115.58 112.18 1tvi h ASN 48 Ca 0.56 -0.52 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1tvi h ASN 48 Cb 2.45 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 41.06 1tvi h ASN 48 CO -0.01 0.57 -0.01 1.56 -0.37 0.00 0.00 177.43 179.17 1tvi h GLN 49 N -0.84 0.00 -0.81 6.67 4.20 0.16 1.47 115.11 125.96 1tvi h GLN 49 Ca -0.01 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.89 1tvi h GLN 49 Cb 0.60 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1tvi h GLN 49 CO 0.02 0.01 0.55 1.96 -0.67 0.00 0.00 178.83 180.70 1tvi h GLN 50 N 0.00 0.26 0.00 1.46 4.20 0.01 -0.58 115.11 120.46 1tvi h GLN 50 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1tvi h GLN 50 Cb 0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1tvi h GLN 50 CO 0.00 0.17 -0.63 1.19 -0.67 0.00 0.00 178.83 178.90 1tvi n PHE 51 N -4.43 0.00 0.33 2.96 3.72 -0.52 -4.75 117.46 114.77 1tvi n PHE 51 Ca 0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.71 1tvi n PHE 51 Cb 0.70 0.18 0.58 0.00 -0.94 0.00 0.00 39.48 40.00 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 -0.90 -1.08 2.47 0.19 -3.45 114.38 111.60 1tvi h ARG 52 Ca 0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 1tvi h ARG 52 Cb 0.63 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.85 1tvi h ARG 52 CO 0.00 0.00 -0.21 0.41 0.56 0.00 0.00 179.97 180.73 1tvi n GLY 53 N 0.15 1.09 3.47 0.04 0.00 -0.22 -4.84 105.19 104.88 1tvi n GLY 53 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.84 2.31 -0.73 1.61 -0.21 -1.26 -4.83 119.66 113.71 1tvi s GLN 54 Ca 0.00 -0.83 -0.16 0.00 0.02 0.00 0.00 55.36 54.39 1tvi s GLN 54 Cb 0.00 -2.30 0.17 0.00 1.00 0.00 0.00 33.01 31.88 1tvi s GLN 54 CO 0.00 0.58 0.72 0.34 -2.12 0.00 0.00 175.29 174.82 1tvi s ASP 55 N -1.11 6.51 -0.30 5.90 2.15 -1.26 -3.00 116.67 125.57 1tvi s ASP 55 Ca 0.13 -2.20 -0.16 0.00 0.43 0.00 0.00 52.55 50.75 1tvi s ASP 55 Cb -0.11 -2.24 0.19 0.00 -0.30 0.00 0.00 42.92 40.46 1tvi s ASP 55 CO 0.03 -0.78 1.15 0.00 -0.17 0.00 0.00 175.17 175.41 1tvi s ARG 56 N 1.17 0.17 0.77 4.34 1.04 -1.26 -5.12 118.95 120.05 1tvi s ARG 56 Ca 0.14 0.30 -0.11 0.00 -1.04 0.00 0.00 55.73 55.02 1tvi s ARG 56 Cb -0.17 0.03 0.05 0.00 -2.04 0.00 0.00 34.95 32.83 1tvi s ARG 56 CO -0.04 -0.04 1.09 -1.25 -0.04 0.00 0.00 175.30 175.02 1tvi s PRO 57 N 1.15 2.32 0.00 3.89 0.04 -1.26 -4.89 135.00 136.24 1tvi s PRO 57 Ca -0.08 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1tvi s PRO 57 Cb -0.03 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1tvi s PRO 57 CO -0.12 -1.48 0.45 -2.37 0.04 0.00 0.00 177.00 173.52 1tvi n THR 58 N -3.35 0.00 0.00 1.26 5.66 -1.26 -5.02 114.28 111.58 1tvi n THR 58 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1tvi n THR 58 Cb 0.56 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1tvi n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1tvi n ASP 59 N 0.00 0.00 -3.69 1.09 9.92 -1.26 -4.70 116.55 117.91 1tvi n ASP 59 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1tvi n ASP 59 Cb 0.51 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.85 1tvi n ASP 59 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1tvi s VAL 60 N 0.00 -0.24 -0.24 2.53 0.11 -1.26 -0.77 120.40 120.53 1tvi s VAL 60 Ca 0.00 0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 59.17 1tvi s VAL 60 Cb 0.00 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1tvi s VAL 60 CO 0.00 0.11 0.35 -0.76 -3.33 0.00 0.00 175.10 171.47 1tvi s LEU 61 N 1.98 4.10 -0.11 2.54 1.02 0.24 -4.96 118.68 123.49 1tvi s LEU 61 Ca -0.02 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.49 1tvi s LEU 61 Cb -0.12 -2.41 0.02 0.00 0.02 0.00 0.00 46.19 43.71 1tvi s LEU 61 CO -0.07 -0.09 -0.09 0.28 0.02 0.00 0.00 176.35 176.39 1tvi s THR 62 N 1.57 1.14 0.26 5.49 -1.32 -1.26 0.69 115.64 122.20 1tvi s THR 62 Ca 0.15 -0.38 0.03 0.00 -1.21 0.00 0.00 61.69 60.29 1tvi s THR 62 Cb -0.15 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.69 1tvi s THR 62 CO 0.08 0.38 0.41 0.72 -2.21 0.00 0.00 174.62 174.01 1tvi s PHE 63 N 1.52 3.47 -0.07 9.09 -0.12 -1.26 -5.05 117.98 125.56 1tvi s PHE 63 Ca 0.02 0.14 -0.30 0.00 -0.05 0.00 0.00 56.93 56.74 1tvi s PHE 63 Cb -0.13 -1.70 -0.03 0.00 -0.63 0.00 0.00 43.02 40.52 1tvi s PHE 63 CO -0.07 0.35 1.23 -1.25 -0.05 0.00 0.00 175.22 175.42 1tvi s PRO 64 N -3.94 4.33 -0.06 1.99 0.04 -1.26 -4.87 135.00 131.22 1tvi s PRO 64 Ca 0.36 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1tvi s PRO 64 Cb -0.10 -3.59 0.13 0.00 0.04 0.00 0.00 34.50 30.98 1tvi s PRO 64 CO 0.31 -0.50 1.02 1.47 0.04 0.00 0.00 177.00 179.34 1tvi n LEU 65 N 5.43 1.26 -2.91 -3.56 -0.00 -1.26 -5.04 117.00 110.92 1tvi n LEU 65 Ca 0.12 -1.94 -0.22 0.00 -0.00 0.00 0.00 56.01 53.96 1tvi n LEU 65 Cb 0.46 -0.19 -0.11 0.00 -0.00 0.00 0.00 43.42 43.57 1tvi n LEU 65 CO 0.56 0.46 1.41 0.23 -0.00 0.00 0.00 177.39 180.05 1tvi n MET 66 N -0.69 0.00 -2.76 1.47 2.81 -1.26 -4.65 117.12 112.04 1tvi n MET 66 Ca 0.07 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.89 1tvi n MET 66 Cb 0.61 -0.86 -0.03 0.00 -0.71 0.00 0.00 33.22 32.23 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1tvi n GLU 67 N 4.85 0.19 -0.30 0.03 -0.58 -1.26 -5.02 120.64 118.55 1tvi n GLU 67 Ca 0.43 -1.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.05 1tvi n GLU 67 Cb 0.04 0.90 0.07 0.00 -0.57 0.00 0.00 31.44 31.88 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 -0.22 -0.14 -3.08 3.49 1.02 -1.26 -3.81 120.64 116.63 1tvi n GLU 68 Ca 0.02 1.25 -0.03 0.00 -0.02 0.00 0.00 57.16 58.39 1tvi n GLU 68 Cb 0.20 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 29.75 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tvi s ASP 69 N -5.26 -1.22 0.00 1.62 1.01 -1.26 -5.08 116.67 106.48 1tvi s ASP 69 Ca -0.12 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 51.92 1tvi s ASP 69 Cb 0.19 1.77 0.00 0.00 1.01 0.00 0.00 42.92 45.89 1tvi s ASP 69 CO 0.60 -0.14 0.00 0.55 0.21 0.00 0.00 175.17 176.39 1tvi n VAL 70 N 3.87 0.00 -4.10 -1.27 3.14 -1.25 -4.68 118.33 114.05 1tvi n VAL 70 Ca 0.14 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.22 1tvi n VAL 70 Cb 0.55 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.30 1tvi n VAL 70 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1tvi n TYR 71 N 0.00 -1.62 0.00 1.45 4.02 -1.26 -4.66 117.16 115.09 1tvi n TYR 71 Ca 0.00 0.74 0.00 0.00 -0.01 0.00 0.00 57.90 58.63 1tvi n TYR 71 Cb 0.00 -3.34 0.00 0.00 -0.02 0.00 0.00 39.34 35.98 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1tvi n GLY 72 N -1.88 2.95 3.10 2.72 0.00 -1.25 -4.93 105.19 105.92 1tvi n GLY 72 Ca -0.19 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 4.38 0.65 -0.13 1.61 2.02 -1.26 -1.84 118.70 124.14 1tvi s GLU 73 Ca 0.00 -1.22 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 1tvi s GLU 73 Cb 0.00 0.22 0.06 0.00 0.10 0.00 0.00 34.13 34.51 1tvi s GLU 73 CO 0.00 -0.14 0.27 -1.50 0.02 0.00 0.00 175.26 173.92 1tvi s ILE 74 N -3.93 -0.29 -0.04 -1.63 2.07 0.15 -4.52 121.20 113.02 1tvi s ILE 74 Ca 0.08 0.22 -0.26 0.00 -1.41 0.00 0.00 60.65 59.28 1tvi s ILE 74 Cb 0.08 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 1tvi s ILE 74 CO -0.09 0.09 0.83 -0.31 -1.91 0.00 0.00 174.94 173.55 1tvi s TYR 75 N 2.01 3.61 0.13 3.50 1.51 0.22 -1.40 117.35 126.91 1tvi s TYR 75 Ca -0.03 1.44 0.09 0.00 -1.01 0.00 0.00 57.07 57.57 1tvi s TYR 75 Cb -0.11 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1tvi s TYR 75 CO -0.09 0.03 -0.22 0.08 -1.11 0.00 0.00 175.55 174.24 1tvi s VAL 76 N 0.94 1.92 -0.29 0.71 1.01 0.12 0.83 120.40 125.65 1tvi s VAL 76 Ca 0.44 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 1tvi s VAL 76 Cb -0.19 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.54 1tvi s VAL 76 CO 0.22 -0.06 0.19 0.00 0.00 0.00 0.00 175.10 175.45 1tvi n PRO 78 N 5.27 0.75 0.29 0.00 -0.04 -1.26 -3.17 135.00 136.84 1tvi n PRO 78 Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 1tvi n PRO 78 Cb 0.44 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.66 -0.21 1.53 7.12 -1.91 0.05 115.31 121.22 1tvi h LEU 79 Ca 0.00 0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 1tvi h LEU 79 Cb 0.00 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1tvi h LEU 79 CO 0.00 -0.29 -0.29 0.40 -0.13 0.00 0.00 178.44 178.13 1tvi h ILE 80 N -1.16 1.33 -0.86 4.05 5.03 -1.90 -2.40 117.51 121.59 1tvi h ILE 80 Ca -0.08 -1.49 0.14 0.00 -0.12 0.00 0.00 64.86 63.31 1tvi h ILE 80 Cb 0.60 1.79 -0.09 0.00 -3.03 0.00 0.00 36.82 36.09 1tvi h ILE 80 CO 0.13 0.46 0.46 0.58 -0.68 0.00 0.00 178.15 179.11 1tvi h VAL 81 N 0.25 0.76 0.20 1.67 2.07 -1.64 0.62 116.25 120.18 1tvi h VAL 81 Ca 0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1tvi h VAL 81 Cb 0.87 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1tvi h VAL 81 CO 0.07 0.12 -0.10 -0.08 0.02 0.00 0.00 177.57 177.61 1tvi h GLU 82 N 0.67 -0.26 -0.40 1.57 4.81 -0.85 0.63 114.58 120.75 1tvi h GLU 82 Ca 0.46 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.73 1tvi h GLU 82 Cb 0.62 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1tvi h GLU 82 CO -0.34 -0.05 0.27 1.49 -0.73 0.00 0.00 179.01 179.64 1tvi h GLU 83 N -0.42 0.47 -0.04 1.92 4.57 -0.73 0.83 114.58 121.17 1tvi h GLU 83 Ca -0.03 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.90 1tvi h GLU 83 Cb 0.32 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1tvi h GLU 83 CO 0.04 0.31 -0.89 -0.91 -1.18 0.00 0.00 179.01 176.38 1tvi h ASN 84 N 0.48 0.68 0.74 1.04 2.35 0.56 -2.73 115.58 118.70 1tvi h ASN 84 Ca 0.16 -0.51 -0.12 0.00 -0.55 0.00 0.00 56.30 55.28 1tvi h ASN 84 Cb 0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1tvi h ASN 84 CO -0.04 1.30 -0.59 0.00 -1.65 0.00 0.00 177.43 176.45 1tvi h ALA 85 N 0.67 0.91 -0.37 -0.83 0.00 0.16 -1.82 119.26 117.99 1tvi h ALA 85 Ca -0.08 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1tvi h ALA 85 Cb 1.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1tvi h ALA 85 CO 0.16 0.74 -0.19 0.00 0.00 0.00 0.00 179.25 179.97 1tvi h ARG 86 N 0.00 0.69 0.00 0.00 3.08 0.72 1.79 114.38 120.66 1tvi h ARG 86 Ca -0.01 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1tvi h ARG 86 Cb 1.12 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 1tvi h ARG 86 CO 0.08 0.84 -0.22 1.05 -1.07 0.00 0.00 179.97 180.64 1tvi h GLU 87 N 0.62 0.00 -0.27 0.04 4.11 -1.32 -3.20 114.58 114.56 1tvi h GLU 87 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1tvi h GLU 87 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1tvi h GLU 87 CO 0.05 0.08 0.00 0.34 0.07 0.00 0.00 179.01 179.55 1tvi n PHE 88 N -3.07 0.52 -2.51 2.06 7.35 -0.70 -4.94 117.46 116.17 1tvi n PHE 88 Ca 0.03 -0.62 -0.00 0.00 -0.76 0.00 0.00 57.45 56.10 1tvi n PHE 88 Cb 0.57 -0.11 -0.00 0.00 0.35 0.00 0.00 39.48 40.29 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1tvi n ASN 89 N 0.05 -1.03 -4.65 -2.13 4.05 0.57 -4.85 115.26 107.27 1tvi n ASN 89 Ca 0.13 0.49 -0.29 0.00 0.45 0.00 0.00 54.58 55.36 1tvi n ASN 89 Cb 0.54 -1.02 0.14 0.00 1.23 0.00 0.00 39.78 40.67 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 -2.00 3.49 -0.72 1.20 2.47 0.12 -4.97 114.94 114.53 1tvi s ASN 90 Ca 0.00 0.80 -0.23 0.00 0.42 0.00 0.00 52.86 53.86 1tvi s ASN 90 Cb -0.00 -1.26 0.07 0.00 -1.45 0.00 0.00 41.25 38.61 1tvi s ASN 90 CO 0.00 -2.55 1.05 0.42 -3.72 0.00 0.00 177.10 172.31 1tvi s THR 91 N -3.41 4.27 0.52 -5.21 -4.23 -1.26 -4.74 115.64 101.58 1tvi s THR 91 Ca 0.65 -0.42 0.34 0.00 -1.18 0.00 0.00 61.69 61.08 1tvi s THR 91 Cb -0.12 -4.75 0.53 0.00 1.34 0.00 0.00 72.50 69.50 1tvi s THR 91 CO 0.52 -1.54 1.81 0.15 -0.54 0.00 0.00 174.62 175.02 1tvi h PHE 92 N 9.55 0.08 0.03 3.99 3.04 -1.91 0.79 116.94 132.52 1tvi h PHE 92 Ca -0.21 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.48 1tvi h PHE 92 Cb 1.06 -0.02 0.02 0.00 2.56 0.00 0.00 35.95 39.56 1tvi h PHE 92 CO 1.03 0.01 -1.06 1.05 -2.02 0.00 0.00 178.31 177.31 1tvi h GLU 93 N 0.05 0.56 0.11 1.11 9.09 -1.98 -2.46 114.58 121.05 1tvi h GLU 93 Ca 0.55 -0.64 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 1tvi h GLU 93 Cb 2.11 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 29.40 1tvi h GLU 93 CO -0.04 1.25 -0.05 -0.22 0.05 0.00 0.00 179.01 180.00 1tvi h LYS 94 N 0.29 -0.14 -0.80 1.06 3.11 0.00 0.43 116.57 120.53 1tvi h LYS 94 Ca -0.12 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.84 1tvi h LYS 94 Cb 1.72 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.90 1tvi h LYS 94 CO 0.20 0.22 0.42 0.93 -2.81 0.00 0.00 179.45 178.42 1tvi h GLU 95 N -0.52 0.66 -0.01 1.90 4.39 -0.60 0.22 114.58 120.62 1tvi h GLU 95 Ca -0.01 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 1tvi h GLU 95 Cb 0.43 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1tvi h GLU 95 CO 0.02 0.44 -0.66 1.25 -1.16 0.00 0.00 179.01 178.90 1tvi h LEU 96 N 0.68 0.03 -1.00 1.33 7.12 -1.35 -2.90 115.31 119.22 1tvi h LEU 96 Ca 0.40 -0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.34 1tvi h LEU 96 Cb 0.46 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1tvi h LEU 96 CO -0.29 0.68 0.08 -0.07 -0.13 0.00 0.00 178.44 178.71 1tvi h LEU 97 N 0.02 0.76 0.50 2.25 4.07 0.28 -1.75 115.31 121.44 1tvi h LEU 97 Ca -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1tvi h LEU 97 Cb 1.16 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1tvi h LEU 97 CO 0.09 0.78 -0.32 -0.33 -1.08 0.00 0.00 178.44 177.58 1tvi h GLU 98 N 0.77 -0.75 -0.02 1.13 5.08 -0.62 0.50 114.58 120.66 1tvi h GLU 98 Ca 0.16 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1tvi h GLU 98 Cb 0.35 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1tvi h GLU 98 CO 0.01 -0.50 0.04 -0.39 -1.00 0.00 0.00 179.01 177.17 1tvi h VAL 99 N -0.78 0.29 0.16 3.13 -1.51 -1.50 1.34 116.25 117.39 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 0.64 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1tvi h VAL 99 CO 0.05 0.00 -0.08 0.58 -1.23 0.00 0.00 177.57 176.90 1tvi h VAL 100 N 0.00 0.35 0.00 7.19 2.07 -0.24 -3.25 116.25 122.36 1tvi h VAL 100 Ca 0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1tvi h VAL 100 Cb 0.10 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1tvi h VAL 100 CO -0.00 0.10 0.00 0.16 0.02 0.00 0.00 177.57 177.85 1tvi h ILE 101 N -1.02 0.00 -0.73 4.57 3.07 0.53 -2.74 117.51 121.20 1tvi h ILE 101 Ca -0.02 -0.37 0.08 0.00 1.55 0.00 0.00 64.86 66.09 1tvi h ILE 101 Cb 0.33 1.29 -0.06 0.00 -0.27 0.00 0.00 36.82 38.11 1tvi h ILE 101 CO 0.04 0.00 0.40 0.45 -1.05 0.00 0.00 178.15 177.99 1tvi h HIS 102 N 0.00 0.73 -0.28 0.16 3.86 0.17 1.77 115.15 121.56 1tvi h HIS 102 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1tvi h HIS 102 Cb 0.40 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1tvi h HIS 102 CO 0.00 0.32 0.13 0.78 0.86 0.00 0.00 177.93 180.02 1tvi h GLY 103 N 0.71 0.43 1.04 2.45 0.00 -1.55 -2.14 103.07 104.01 1tvi h GLY 103 Ca 0.34 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1tvi h GLY 103 CO -0.22 0.21 -0.29 -2.22 0.00 0.00 0.00 176.54 174.01 1tvi h ILE 104 N 0.31 1.29 -1.01 2.60 2.04 -1.44 -2.86 117.51 118.44 1tvi h ILE 104 Ca 0.09 -1.45 0.23 0.00 1.00 0.00 0.00 64.86 64.73 1tvi h ILE 104 Cb 0.13 1.43 -0.11 0.00 -0.74 0.00 0.00 36.82 37.53 1tvi h ILE 104 CO -0.01 0.48 0.61 -0.07 0.00 0.00 0.00 178.15 179.16 1tvi h LEU 105 N 0.60 0.69 0.18 1.44 3.38 0.29 1.44 115.31 123.33 1tvi h LEU 105 Ca 0.06 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1tvi h LEU 105 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1tvi h LEU 105 CO 0.08 0.16 -0.22 0.45 0.09 0.00 0.00 178.44 179.00 1tvi h HIS 106 N 0.63 -0.60 0.00 1.13 3.86 -1.15 -1.72 115.15 117.29 1tvi h HIS 106 Ca 0.62 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.81 1tvi h HIS 106 Cb 1.14 0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.85 1tvi h HIS 106 CO -0.01 -0.28 -0.11 1.37 0.86 0.00 0.00 177.93 179.76 1tvi h LEU 107 N -0.40 0.00 -2.23 2.43 8.10 -1.33 0.29 115.31 122.16 1tvi h LEU 107 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1tvi h LEU 107 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1tvi h LEU 107 CO -0.05 0.11 0.08 0.00 -4.11 0.00 0.00 178.44 174.48 1tvi h ALA 108 N 1.89 1.07 0.00 0.17 0.00 0.28 -3.47 119.26 119.20 1tvi h ALA 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tvi h ALA 108 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tvi h ALA 108 CO 0.01 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1tvi n GLY 109 N -1.18 0.21 1.36 0.00 0.00 0.09 -5.00 105.19 100.67 1tvi n GLY 109 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 1.74 -0.39 -2.58 1.61 4.11 -1.26 -4.87 117.16 115.52 1tvi n TYR 110 Ca 0.00 -0.29 -0.42 0.00 -0.00 0.00 0.00 57.90 57.19 1tvi n TYR 110 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 39.34 39.46 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1tvi s ASP 111 N -1.94 6.60 0.62 9.48 1.01 -1.26 -4.97 116.67 126.21 1tvi s ASP 111 Ca 0.10 -1.73 -0.18 0.00 0.71 0.00 0.00 52.55 51.45 1tvi s ASP 111 Cb -0.00 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.21 1tvi s ASP 111 CO 0.00 -1.40 -0.27 1.41 0.21 0.00 0.00 175.17 175.12 1tvi n HIS 112 N 8.66 -3.40 -0.90 4.23 8.25 -1.26 -0.54 115.22 130.26 1tvi n HIS 112 Ca 0.37 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 1tvi n HIS 112 Cb 0.50 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 29.97 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1tvi n GLU 113 N 1.70 -0.53 -0.46 -0.41 2.13 -1.26 -4.82 120.64 116.98 1tvi n GLU 113 Ca 0.06 0.13 0.37 0.00 0.66 0.00 0.00 57.16 58.38 1tvi n GLU 113 Cb 0.49 -3.71 0.60 0.00 0.27 0.00 0.00 31.44 29.09 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 -2.31 0.38 -1.53 4.31 -1.74 0.30 -4.13 117.46 112.73 1tvi n PHE 114 Ca 0.00 0.38 -0.28 0.00 -0.56 0.00 0.00 57.45 56.99 1tvi n PHE 114 Cb 0.13 -0.79 -0.11 0.00 1.52 0.00 0.00 39.48 40.23 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 -4.08 0.47 -2.96 3.97 0.00 -1.26 -4.68 120.64 112.09 1tvi n GLU 115 Ca 0.35 -0.23 0.04 0.00 0.00 0.00 0.00 57.16 57.32 1tvi n GLU 115 Cb 1.43 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1tvi n GLU 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tvi s ASP 116 N 8.77 -0.25 0.00 4.31 2.15 -1.26 -5.03 116.67 125.36 1tvi s ASP 116 Ca 1.12 -0.04 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1tvi s ASP 116 Cb -0.55 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 1tvi s ASP 116 CO 0.33 -0.04 0.00 1.17 -0.17 0.00 0.00 175.17 176.46 1tvi n LYS 117 N 4.41 0.00 0.00 4.34 3.00 -1.26 -4.64 118.16 124.01 1tvi n LYS 117 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1tvi n LYS 117 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.64 1tvi n LYS 117 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1tvi n ASN 118 N 2.07 0.00 -3.84 3.14 2.85 -1.26 -5.18 115.26 113.05 1tvi n ASN 118 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1tvi n ASN 118 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 1tvi n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1tvi s SER 119 N 0.00 -0.04 -0.13 1.20 0.01 -1.26 -5.07 113.70 108.41 1tvi s SER 119 Ca 0.00 -0.13 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 1tvi s SER 119 Cb 0.00 0.24 -0.17 0.00 0.21 0.00 0.00 66.02 66.30 1tvi s SER 119 CO 0.00 -0.41 0.49 0.50 0.41 0.00 0.00 173.24 174.23 1tvi h LYS 120 N 4.09 0.00 -0.55 12.44 3.64 -2.01 -2.67 116.57 131.51 1tvi h LYS 120 Ca -0.31 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1tvi h LYS 120 Cb 1.19 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 1tvi h LYS 120 CO 0.41 0.65 0.19 1.49 -2.27 0.00 0.00 179.45 179.91 1tvi h GLU 121 N -1.00 0.35 0.12 1.90 4.81 -1.98 0.52 114.58 119.30 1tvi h GLU 121 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1tvi h GLU 121 Cb 0.65 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1tvi h GLU 121 CO -0.00 0.23 -0.09 0.52 -0.73 0.00 0.00 179.01 178.94 1tvi h MET 122 N 0.36 -0.21 -0.85 1.92 2.86 -1.98 0.29 114.93 117.32 1tvi h MET 122 Ca 0.27 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1tvi h MET 122 Cb 0.32 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 1tvi h MET 122 CO -0.28 -0.14 0.50 0.35 1.06 0.00 0.00 176.91 178.40 1tvi h PHE 123 N -0.22 1.12 0.73 -0.22 3.04 -1.03 0.52 116.94 120.88 1tvi h PHE 123 Ca -0.00 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1tvi h PHE 123 Cb 0.20 -0.37 0.01 0.00 2.56 0.00 0.00 35.95 38.35 1tvi h PHE 123 CO -0.10 0.76 -0.35 0.93 -2.02 0.00 0.00 178.31 177.53 1tvi h GLU 124 N 1.16 -0.95 0.00 1.11 5.08 0.37 0.79 114.58 122.14 1tvi h GLU 124 Ca 0.30 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1tvi h GLU 124 Cb -0.03 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1tvi h GLU 124 CO -0.05 -0.61 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.10 1tvi h LYS 125 N -1.14 0.00 0.05 2.33 3.64 -0.34 0.39 116.57 121.50 1tvi h LYS 125 Ca -0.10 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.05 1tvi h LYS 125 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1tvi h LYS 125 CO 0.17 0.03 -1.08 0.37 -2.27 0.00 0.00 179.45 176.67 1tvi h GLN 126 N 0.00 0.14 0.00 1.90 4.15 0.45 -3.11 115.11 118.64 1tvi h GLN 126 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1tvi h GLN 126 Cb 0.07 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1tvi h GLN 126 CO 0.00 1.08 0.00 0.87 -1.93 0.00 0.00 178.83 178.85 1tvi h LYS 127 N 0.05 0.00 0.63 1.69 1.79 0.25 -2.30 116.57 118.68 1tvi h LYS 127 Ca -0.07 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1tvi h LYS 127 Cb 1.80 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.46 1tvi h LYS 127 CO 0.16 0.00 -0.30 -0.22 -1.08 0.00 0.00 179.45 178.01 1tvi h LYS 128 N 0.00 -0.82 -0.16 3.15 3.64 -0.94 -1.73 116.57 119.71 1tvi h LYS 128 Ca 0.00 0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1tvi h LYS 128 Cb 0.80 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1tvi h LYS 128 CO 0.00 -0.55 -0.27 1.88 -2.27 0.00 0.00 179.45 178.24 1tvi h TYR 129 N -1.20 0.33 0.19 1.91 0.05 -1.63 -1.80 116.97 114.82 1tvi h TYR 129 Ca -0.09 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.63 1tvi h TYR 129 Cb 0.65 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1tvi h TYR 129 CO 0.00 0.55 -0.21 0.28 -1.05 0.00 0.00 178.16 177.74 1tvi h VAL 130 N 0.27 0.55 -0.25 -2.88 2.07 -1.43 1.58 116.25 116.16 1tvi h VAL 130 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 1tvi h VAL 130 Cb 0.63 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1tvi h VAL 130 CO 0.05 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.24 1tvi h GLU 131 N -0.43 0.38 0.05 1.57 4.39 -1.18 1.71 114.58 121.07 1tvi h GLU 131 Ca 0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1tvi h GLU 131 Cb 0.41 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1tvi h GLU 131 CO -0.06 0.47 -0.03 0.93 -1.16 0.00 0.00 179.01 179.16 1tvi h GLU 132 N 0.37 -0.07 -0.09 2.33 5.08 -0.47 0.38 114.58 122.11 1tvi h GLU 132 Ca 0.08 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1tvi h GLU 132 Cb 0.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tvi h GLU 132 CO 0.02 0.43 -0.58 0.28 -1.00 0.00 0.00 179.01 178.16 1tvi h VAL 133 N -0.60 1.37 0.00 3.13 2.07 0.24 -2.07 116.25 120.39 1tvi h VAL 133 Ca -0.01 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1tvi h VAL 133 Cb 0.53 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1tvi h VAL 133 CO 0.01 0.57 0.00 1.87 0.02 0.00 0.00 177.57 180.04 1tvi n TRP 134 N -3.90 0.75 0.09 1.57 -0.00 0.58 -3.24 117.44 113.29 1tvi n TRP 134 Ca -0.02 0.23 0.20 0.00 -0.00 0.00 0.00 57.50 57.91 1tvi n TRP 134 Cb 0.60 -0.88 0.70 0.00 -0.00 0.00 0.00 31.31 31.73 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 4.11 0.00 0.00 5.87 0.00 0.52 1.72 103.07 115.29 1tvi h GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tvi h GLY 135 CO 0.00 0.00 -0.22 -2.09 0.00 0.00 0.00 176.54 174.23 1tvi h GLU 136 N 0.00 0.00 -0.12 4.80 4.81 -1.72 -3.35 114.58 119.00 1tvi h GLU 136 Ca 0.20 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1tvi h GLU 136 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1tvi h GLU 136 CO -0.00 0.00 0.23 -1.49 -0.73 0.00 0.00 179.01 177.02 1tvi h TRP 137 N -0.62 0.00 -0.92 0.92 4.06 -1.61 -0.64 115.95 117.13 1tvi h TRP 137 Ca 0.00 0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.19 1tvi h TRP 137 Cb 0.22 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.25 1tvi h TRP 137 CO -0.09 0.00 0.41 0.00 -3.56 0.00 0.00 178.44 175.20 1tvi h ARG 138 N 0.00 0.35 -0.06 0.49 2.47 0.24 1.51 114.38 119.39 1tvi h ARG 138 Ca 0.06 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 1tvi h ARG 138 Cb 0.52 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1tvi h ARG 138 CO -0.00 0.23 0.42 0.77 0.56 0.00 0.00 179.97 181.95 1tvi h SER 139 N 0.36 0.00 -4.21 7.04 0.02 -1.30 -3.13 113.55 112.33 1tvi h SER 139 Ca 0.60 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.88 1tvi h SER 139 Cb 1.20 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.36 1tvi h SER 139 CO -0.57 0.00 -0.49 0.20 -1.14 0.00 0.00 176.83 174.84 1tvi s ASN 140 N -4.39 4.84 0.13 3.07 0.01 0.52 -4.96 114.94 114.16 1tvi s ASN 140 Ca -0.03 -2.89 0.00 0.00 -0.71 0.00 0.00 52.86 49.23 1tvi s ASN 140 Cb 0.09 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.99 1tvi s ASN 140 CO 0.28 -0.31 0.00 -0.81 -1.51 0.00 0.00 177.10 174.75 1tvi n PRO 141 N 3.36 0.81 0.00 -0.60 -0.04 -1.19 -4.96 135.00 132.39 1tvi n PRO 141 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1tvi n PRO 141 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1tvi n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tvi n SER 142 N -0.39 0.00 -0.44 3.54 2.88 -1.26 -4.56 113.62 113.39 1tvi n SER 142 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1tvi n SER 142 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi n GLU 143 N -0.05 0.00 -3.68 -1.46 -0.58 -1.26 -5.07 120.64 108.55 1tvi n GLU 143 Ca 0.00 -0.48 -0.13 0.00 -0.42 0.00 0.00 57.16 56.13 1tvi n GLU 143 Cb 0.00 -0.26 -0.13 0.00 -0.57 0.00 0.00 31.44 30.48 1tvi n GLU 143 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1tvi s ASP 144 N -0.45 0.17 0.31 1.62 2.15 -1.26 -5.16 116.67 114.04 1tvi s ASP 144 Ca 0.00 0.61 0.03 0.00 0.43 0.00 0.00 52.55 53.62 1tvi s ASP 144 Cb 0.00 0.67 -0.04 0.00 -0.30 0.00 0.00 42.92 43.25 1tvi s ASP 144 CO 0.00 -0.22 0.13 -0.94 -0.17 0.00 0.00 175.17 173.97 1tvi s SER 145 N 2.16 1.65 -0.36 -0.34 1.04 -1.26 -4.70 113.70 111.89 1tvi s SER 145 Ca -0.01 -1.51 -0.01 0.00 0.48 0.00 0.00 55.95 54.89 1tvi s SER 145 Cb -0.12 0.30 0.18 0.00 0.10 0.00 0.00 66.02 66.49 1tvi s SER 145 CO -0.09 -0.83 0.85 -0.62 0.98 0.00 0.00 173.24 173.53 1tvi s ASP 146 N -3.39 -0.91 -1.17 7.02 2.15 -1.26 -5.05 116.67 114.05 1tvi s ASP 146 Ca 0.35 -0.42 -0.12 0.00 0.43 0.00 0.00 52.55 52.79 1tvi s ASP 146 Cb 0.06 1.19 -0.07 0.00 -0.30 0.00 0.00 42.92 43.80 1tvi s ASP 146 CO 0.16 -0.11 2.31 -0.81 -0.17 0.00 0.00 175.17 176.56 1tvi n PRO 147 N 4.13 2.52 0.00 4.34 -0.04 -1.26 -4.06 135.00 140.63 1tvi n PRO 147 Ca 0.08 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1tvi n PRO 147 Cb 0.60 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1tvi n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tvi n GLY 148 N 3.95 -0.93 2.53 0.55 0.00 -1.26 -4.99 105.19 105.05 1tvi n GLY 148 Ca 0.56 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.92 1tvi n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tvi n LYS 149 N -0.50 -2.87 0.00 1.61 5.02 -1.26 -5.34 118.16 114.82 1tvi n LYS 149 Ca 0.00 0.07 0.09 0.00 -2.02 0.00 0.00 58.31 56.45 1tvi n LYS 149 Cb 0.00 -4.59 0.53 0.00 -0.02 0.00 0.00 35.03 30.95 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42