#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 3.44 -0.42 3.17 1.09 -1.26 -4.74 121.20 122.48 1tvi s ILE 2 Ca 0.00 -1.69 -0.18 0.00 -1.10 0.00 0.00 60.65 57.68 1tvi s ILE 2 Cb 0.00 -2.77 0.02 0.00 -1.06 0.00 0.00 42.46 38.65 1tvi s ILE 2 CO 0.00 -0.22 0.47 -0.13 -0.10 0.00 0.00 174.94 174.96 1tvi s ARG 3 N -3.20 3.18 -0.41 2.79 0.52 -0.43 -4.98 118.95 116.43 1tvi s ARG 3 Ca 0.28 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 1tvi s ARG 3 Cb -0.08 -3.95 0.06 0.00 0.52 0.00 0.00 34.95 31.50 1tvi s ARG 3 CO 0.18 -0.85 0.27 0.42 0.02 0.00 0.00 175.30 175.34 1tvi s ILE 4 N 2.25 4.61 0.25 1.52 1.01 -1.26 -1.47 121.20 128.11 1tvi s ILE 4 Ca 0.14 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1tvi s ILE 4 Cb -0.16 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1tvi s ILE 4 CO 0.14 -0.41 -0.04 -1.48 0.00 0.00 0.00 174.94 173.15 1tvi s LEU 5 N 1.53 2.36 0.00 2.97 2.34 -0.17 -4.79 118.68 122.91 1tvi s LEU 5 Ca 0.03 -1.19 0.00 0.00 0.06 0.00 0.00 54.13 53.03 1tvi s LEU 5 Cb -0.22 -0.46 0.00 0.00 -0.56 0.00 0.00 46.19 44.96 1tvi s LEU 5 CO 0.05 -0.42 0.00 0.61 -1.06 0.00 0.00 176.35 175.54 1tvi n GLY 6 N -0.48 1.82 1.65 -3.48 0.00 -1.26 -1.28 105.19 102.16 1tvi n GLY 6 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1tvi n GLY 6 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tvi n GLU 7 N 0.00 -4.52 0.00 1.61 1.02 -1.18 -4.71 120.64 112.86 1tvi n GLU 7 Ca 0.00 3.44 0.00 0.00 -0.02 0.00 0.00 57.16 60.58 1tvi n GLU 7 Cb 0.00 -4.09 0.00 0.00 -0.02 0.00 0.00 31.44 27.33 1tvi n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tvi n GLY 8 N -1.84 3.36 3.38 0.62 0.00 -1.26 -4.32 105.19 105.13 1tvi n GLY 8 Ca 0.00 -1.25 -0.50 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.47 0.01 0.00 1.61 4.81 -1.26 -0.37 118.16 121.48 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 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 6.99 1.32 0.10 3.14 0.00 -1.26 -4.62 105.19 110.85 1tvi n GLY 10 Ca 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 1.39 -0.13 0.55 1.61 4.64 -1.10 0.25 113.55 120.76 1tvi h SER 11 Ca 0.00 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1tvi h SER 11 Cb 0.00 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1tvi h SER 11 CO 0.00 -0.04 -0.57 0.11 -0.87 0.00 0.00 176.83 175.47 1tvi h LYS 12 N 0.03 0.02 0.00 4.77 6.56 -1.95 -2.44 116.57 123.55 1tvi h LYS 12 Ca 0.09 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 1tvi h LYS 12 Cb 0.12 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 1tvi h LYS 12 CO -0.17 0.58 -0.26 1.37 -2.06 0.00 0.00 179.45 178.90 1tvi h LEU 13 N 0.01 0.00 0.03 2.94 8.10 -1.61 -2.62 115.31 122.16 1tvi h LEU 13 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1tvi h LEU 13 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 1tvi h LEU 13 CO 0.07 0.26 -0.01 0.25 -4.11 0.00 0.00 178.44 174.91 1tvi h LEU 14 N 0.00 -0.03 -1.84 0.17 7.12 -0.09 -3.02 115.31 117.62 1tvi h LEU 14 Ca -0.00 -0.62 0.03 0.00 0.13 0.00 0.00 57.88 57.42 1tvi h LEU 14 Cb 0.48 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1tvi h LEU 14 CO 0.03 0.63 0.42 -0.33 -0.13 0.00 0.00 178.44 179.07 1tvi h GLU 15 N -0.72 0.00 -0.08 1.25 5.08 -1.23 1.01 114.58 119.89 1tvi h GLU 15 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1tvi h GLU 15 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1tvi h GLU 15 CO 0.01 0.00 -0.32 -0.91 -1.00 0.00 0.00 179.01 176.79 1tvi h ASN 16 N 0.00 0.41 -0.66 1.42 4.21 -1.34 -3.27 115.58 116.35 1tvi h ASN 16 Ca 0.05 -0.63 -0.45 0.00 1.21 0.00 0.00 56.30 56.48 1tvi h ASN 16 Cb 0.90 -0.12 -0.28 0.00 -1.12 0.00 0.00 38.32 37.69 1tvi h ASN 16 CO -0.00 0.98 -0.19 0.00 -1.29 0.00 0.00 177.43 176.93 1tvi n LEU 17 N -4.42 5.25 0.22 1.61 -0.00 0.14 -4.71 117.00 115.08 1tvi n LEU 17 Ca -0.08 -4.31 -0.11 0.00 -0.00 0.00 0.00 56.01 51.51 1tvi n LEU 17 Cb 0.50 -0.59 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 1tvi n LEU 17 CO 0.42 1.68 0.32 0.50 -0.00 0.00 0.00 177.39 180.31 1tvi h LYS 18 N 1.72 -0.58 -0.96 1.47 3.11 0.75 -2.79 116.57 119.28 1tvi h LYS 18 Ca 0.37 0.04 0.15 0.00 -2.81 0.00 0.00 60.65 58.40 1tvi h LYS 18 Cb 1.42 0.13 -0.09 0.00 -1.00 0.00 0.00 32.23 32.69 1tvi h LYS 18 CO 0.81 -0.33 0.58 0.93 -2.81 0.00 0.00 179.45 178.64 1tvi h GLU 19 N -1.10 0.81 -0.88 1.90 5.08 -1.84 0.37 114.58 118.92 1tvi h GLU 19 Ca -0.06 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1tvi h GLU 19 Cb 0.53 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 1tvi h GLU 19 CO 0.10 0.54 0.57 -0.22 -1.00 0.00 0.00 179.01 179.00 1tvi h LYS 20 N 0.84 0.75 0.01 2.33 3.11 -1.88 0.20 116.57 121.93 1tvi h LYS 20 Ca 0.51 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 58.09 1tvi h LYS 20 Cb 0.65 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 1tvi h LYS 20 CO -0.32 0.49 -1.05 -0.07 -2.81 0.00 0.00 179.45 175.69 1tvi h LEU 21 N 0.77 0.04 -2.11 5.20 3.38 -0.17 -3.13 115.31 119.30 1tvi h LEU 21 Ca 0.43 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 1tvi h LEU 21 Cb 0.58 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tvi h LEU 21 CO -0.19 1.03 -0.00 -0.33 0.09 0.00 0.00 178.44 179.03 1tvi h GLU 22 N 0.01 0.00 0.05 1.13 5.08 0.25 -0.95 114.58 120.14 1tvi h GLU 22 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1tvi h GLU 22 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1tvi h GLU 22 CO 0.13 0.00 -0.02 0.93 -1.00 0.00 0.00 179.01 179.05 1tvi h GLU 23 N 0.00 -0.06 -0.77 2.33 5.08 -0.97 -0.50 114.58 119.69 1tvi h GLU 23 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1tvi h GLU 23 Cb 0.30 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1tvi h GLU 23 CO 0.00 0.56 0.40 -0.84 -1.00 0.00 0.00 179.01 178.14 1tvi h ILE 24 N -0.86 1.24 -0.39 3.13 3.07 -1.56 0.48 117.51 122.62 1tvi h ILE 24 Ca -0.01 -0.62 -0.08 0.00 1.55 0.00 0.00 64.86 65.70 1tvi h ILE 24 Cb 0.66 0.24 -0.02 0.00 -0.27 0.00 0.00 36.82 37.43 1tvi h ILE 24 CO 0.01 0.27 -0.11 1.62 -1.05 0.00 0.00 178.15 178.89 1tvi h VAL 25 N 1.07 1.25 0.17 0.16 3.04 -1.26 0.20 116.25 120.88 1tvi h VAL 25 Ca 0.27 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1tvi h VAL 25 Cb 0.07 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1tvi h VAL 25 CO -0.04 0.37 -0.08 0.50 -1.01 0.00 0.00 177.57 177.31 1tvi h LYS 26 N 0.62 -0.22 0.00 4.17 3.64 -0.17 -2.89 116.57 121.72 1tvi h LYS 26 Ca 0.11 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1tvi h LYS 26 Cb 0.55 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1tvi h LYS 26 CO 0.03 0.16 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.98 1tvi h LYS 27 N -0.68 -0.28 -0.95 1.90 3.64 0.03 1.32 116.57 121.55 1tvi h LYS 27 Ca -0.02 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 1tvi h LYS 27 Cb 0.49 0.06 -0.17 0.00 -0.41 0.00 0.00 32.23 32.20 1tvi h LYS 27 CO 0.04 -0.19 -0.30 -1.91 -2.27 0.00 0.00 179.45 174.82 1tvi n GLU 28 N -5.31 -0.15 0.06 1.90 4.07 0.69 -4.45 120.64 117.45 1tvi n GLU 28 Ca -0.05 1.47 0.00 0.00 -0.06 0.00 0.00 57.16 58.52 1tvi n GLU 28 Cb 0.23 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.42 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 -5.47 0.00 0.00 6.31 3.06 -0.84 -5.04 119.36 117.38 1tvi n ILE 29 Ca 0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 1tvi n ILE 29 Cb 0.43 -0.39 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 0.82 0.85 3.64 4.50 0.00 0.45 -4.96 105.19 110.48 1tvi n GLY 30 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.55 0.24 1.61 2.15 -1.25 -4.39 116.67 114.49 1tvi s ASP 31 Ca 0.00 0.88 0.05 0.00 0.43 0.00 0.00 52.55 53.91 1tvi s ASP 31 Cb 0.00 1.21 -0.02 0.00 -0.30 0.00 0.00 42.92 43.82 1tvi s ASP 31 CO 0.00 -0.14 0.17 0.55 -0.17 0.00 0.00 175.17 175.58 1tvi n VAL 32 N 3.71 0.00 -3.73 1.11 3.14 -1.26 -5.03 118.33 116.27 1tvi n VAL 32 Ca -0.19 -1.66 -0.26 0.00 -2.96 0.00 0.00 64.34 59.28 1tvi n VAL 32 Cb 0.58 0.77 -0.17 0.00 -1.06 0.00 0.00 33.84 33.95 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1tvi s HIS 33 N -2.84 0.80 -0.22 1.45 3.76 -1.26 -4.86 115.29 112.11 1tvi s HIS 33 Ca 0.24 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 1tvi s HIS 33 Cb 0.01 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.83 1tvi s HIS 33 CO 0.17 -0.49 -0.13 0.08 -0.85 0.00 0.00 174.74 173.51 1tvi s VAL 34 N 1.93 2.30 -0.71 -0.90 1.01 -1.26 -4.33 120.40 118.45 1tvi s VAL 34 Ca 0.02 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1tvi s VAL 34 Cb -0.15 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.20 1tvi s VAL 34 CO -0.07 0.26 0.84 0.20 0.00 0.00 0.00 175.10 176.34 1tvi s ASN 35 N 1.24 6.37 -0.19 3.32 0.01 -0.66 -1.31 114.94 123.72 1tvi s ASN 35 Ca -0.01 -1.72 -0.15 0.00 -0.71 0.00 0.00 52.86 50.28 1tvi s ASN 35 Cb -0.16 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1tvi s ASN 35 CO -0.08 -1.06 0.34 -0.69 -1.51 0.00 0.00 177.10 174.10 1tvi s VAL 36 N 2.47 5.26 -0.37 1.60 1.01 -0.54 0.98 120.40 130.82 1tvi s VAL 36 Ca 0.19 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 1tvi s VAL 36 Cb -0.17 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1tvi s VAL 36 CO 0.01 0.32 0.15 -0.63 0.00 0.00 0.00 175.10 174.94 1tvi s ILE 37 N 0.93 3.81 -0.39 2.22 1.09 0.88 -1.00 121.20 128.73 1tvi s ILE 37 Ca 0.17 -1.31 -0.22 0.00 -1.10 0.00 0.00 60.65 58.19 1tvi s ILE 37 Cb -0.14 -3.25 0.01 0.00 -1.06 0.00 0.00 42.46 38.02 1tvi s ILE 37 CO 0.06 -0.32 0.72 -0.76 -0.10 0.00 0.00 174.94 174.55 1tvi s LEU 38 N 1.37 4.24 0.00 2.97 1.43 -0.40 0.48 118.68 128.78 1tvi s LEU 38 Ca 0.00 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1tvi s LEU 38 Cb -0.21 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 1tvi s LEU 38 CO 0.02 -0.74 -0.04 0.68 0.23 0.00 0.00 176.35 176.49 1tvi s VAL 39 N 3.00 0.34 0.00 -1.59 -7.23 -0.65 -3.12 120.40 111.14 1tvi s VAL 39 Ca 0.28 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1tvi s VAL 39 Cb -0.13 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.49 1tvi s VAL 39 CO 0.18 -0.01 0.00 -1.54 -0.31 0.00 0.00 175.10 173.42 1tvi n SER 40 N 2.69 -0.81 0.01 4.85 3.41 -1.26 -4.08 113.62 118.43 1tvi n SER 40 Ca -0.15 -0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.06 1tvi n SER 40 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.11 0.00 4.33 4.81 -1.94 -0.10 114.58 121.57 1tvi h GLU 41 Ca 0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1tvi h GLU 41 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1tvi h GLU 41 CO 0.00 0.43 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.02 1tvi h ASP 42 N -0.82 0.00 -0.08 1.04 5.19 -1.98 0.81 116.42 120.58 1tvi h ASP 42 Ca -0.01 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.25 1tvi h ASP 42 Cb 0.59 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.11 1tvi h ASP 42 CO 0.02 0.25 -0.51 -0.33 -3.12 0.00 0.00 179.24 175.54 1tvi h GLU 43 N 0.00 0.50 0.02 3.56 5.08 -1.90 -3.13 114.58 118.72 1tvi h GLU 43 Ca -0.00 -0.42 -0.22 0.00 -1.00 0.00 0.00 59.36 57.72 1tvi h GLU 43 Cb 0.54 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1tvi h GLU 43 CO 0.03 1.05 -0.95 0.97 -1.00 0.00 0.00 179.01 179.11 1tvi h ILE 44 N 0.08 1.47 -0.73 3.13 2.10 -0.67 -1.90 117.51 120.99 1tvi h ILE 44 Ca -0.04 -2.64 0.16 0.00 1.08 0.00 0.00 64.86 63.42 1tvi h ILE 44 Cb 1.17 2.53 -0.11 0.00 -1.09 0.00 0.00 36.82 39.31 1tvi h ILE 44 CO 0.11 0.78 0.15 0.50 -1.08 0.00 0.00 178.15 178.60 1tvi h LYS 45 N 0.14 0.23 0.10 2.19 3.11 0.62 0.24 116.57 123.20 1tvi h LYS 45 Ca -0.07 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.60 1tvi h LYS 45 Cb 1.60 -0.05 0.02 0.00 -1.00 0.00 0.00 32.23 32.80 1tvi h LYS 45 CO 0.15 0.15 -0.69 0.93 -2.81 0.00 0.00 179.45 177.19 1tvi h GLU 46 N 0.24 0.29 -1.21 1.90 5.08 -1.55 -3.22 114.58 116.11 1tvi h GLU 46 Ca 0.41 -0.45 0.35 0.00 -1.00 0.00 0.00 59.36 58.67 1tvi h GLU 46 Cb 0.71 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1tvi h GLU 46 CO -0.53 1.19 0.87 1.25 -1.00 0.00 0.00 179.01 180.79 1tvi h LEU 47 N -0.37 0.03 0.56 1.33 7.12 -0.42 0.66 115.31 124.21 1tvi h LEU 47 Ca -0.11 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.87 1tvi h LEU 47 Cb 1.51 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.65 1tvi h LEU 47 CO 0.13 0.00 -0.27 -1.13 -0.13 0.00 0.00 178.44 177.05 1tvi h ASN 48 N 0.02 -0.63 0.71 1.25 -0.73 -0.59 -2.66 115.58 112.96 1tvi h ASN 48 Ca 0.58 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.69 1tvi h ASN 48 Cb 2.29 0.16 -0.00 0.00 0.27 0.00 0.00 38.32 41.04 1tvi h ASN 48 CO -0.03 -0.36 -0.15 0.06 -0.37 0.00 0.00 177.43 176.58 1tvi h GLN 49 N -0.88 0.00 -0.05 6.67 3.07 0.12 1.02 115.11 125.05 1tvi h GLN 49 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.68 1tvi h GLN 49 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.18 1tvi h GLN 49 CO 0.13 0.15 0.11 1.96 0.09 0.00 0.00 178.83 181.27 1tvi h GLN 50 N 0.00 0.00 0.00 0.06 4.20 0.49 -0.39 115.11 119.47 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 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1tvi h GLN 50 CO 0.02 0.00 -0.29 1.19 -0.67 0.00 0.00 178.83 179.08 1tvi n PHE 51 N -3.37 -0.56 0.22 2.96 3.72 -0.89 -4.80 117.46 114.74 1tvi n PHE 51 Ca -0.02 0.10 0.10 0.00 -0.05 0.00 0.00 57.45 57.58 1tvi n PHE 51 Cb 0.19 0.27 0.49 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.00 -1.08 -0.00 0.94 -3.46 114.38 110.78 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1tvi h ARG 52 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1tvi h ARG 52 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.97 180.60 1tvi n GLY 53 N 0.04 2.90 3.83 0.04 0.00 -0.16 -4.89 105.19 106.94 1tvi n GLY 53 Ca -0.00 0.00 -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 -0.04 4.15 -0.66 1.61 1.11 -1.26 -4.70 119.66 119.86 1tvi s GLN 54 Ca 0.00 0.74 -0.14 0.00 0.01 0.00 0.00 55.36 55.97 1tvi s GLN 54 Cb 0.00 -2.85 0.17 0.00 -1.01 0.00 0.00 33.01 29.32 1tvi s GLN 54 CO 0.00 0.40 0.60 0.34 0.01 0.00 0.00 175.29 176.64 1tvi s ASP 55 N -1.73 6.34 -0.29 5.90 2.15 -1.26 -1.11 116.67 126.66 1tvi s ASP 55 Ca 0.42 -2.26 -0.16 0.00 0.43 0.00 0.00 52.55 50.99 1tvi s ASP 55 Cb -0.16 -2.17 0.18 0.00 -0.30 0.00 0.00 42.92 40.47 1tvi s ASP 55 CO 0.20 -0.69 1.11 0.00 -0.17 0.00 0.00 175.17 175.62 1tvi s ARG 56 N 0.86 0.21 0.98 4.34 1.04 -1.26 -5.06 118.95 120.06 1tvi s ARG 56 Ca 0.11 0.39 -0.14 0.00 -1.04 0.00 0.00 55.73 55.04 1tvi s ARG 56 Cb -0.20 0.07 0.18 0.00 -2.04 0.00 0.00 34.95 32.95 1tvi s ARG 56 CO -0.03 -0.05 1.17 -1.25 -0.04 0.00 0.00 175.30 175.10 1tvi s PRO 57 N 1.32 0.60 0.34 3.89 0.04 -1.26 -4.78 135.00 135.14 1tvi s PRO 57 Ca -0.08 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 60.92 1tvi s PRO 57 Cb -0.03 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.74 1tvi s PRO 57 CO -0.13 -2.53 0.64 -0.08 0.04 0.00 0.00 177.00 174.95 1tvi s THR 58 N -3.35 0.00 -0.03 1.26 -1.32 -1.26 -5.03 115.64 105.91 1tvi s THR 58 Ca 0.67 -1.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.69 1tvi s THR 58 Cb -0.12 -2.59 -0.15 0.00 -1.51 0.00 0.00 72.50 68.13 1tvi s THR 58 CO 0.54 0.00 0.98 0.44 -2.21 0.00 0.00 174.62 174.37 1tvi h ASP 59 N 2.07 -0.27 -3.58 8.08 3.32 -1.91 -3.43 116.42 120.70 1tvi h ASP 59 Ca -0.28 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 1tvi h ASP 59 Cb 1.25 0.07 -0.25 0.00 0.22 0.00 0.00 39.33 40.62 1tvi h ASP 59 CO 0.37 0.21 -0.25 0.54 -1.72 0.00 0.00 179.24 178.39 1tvi s VAL 60 N -3.85 -0.01 -0.04 -1.35 0.11 -1.26 -3.59 120.40 110.42 1tvi s VAL 60 Ca -0.13 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.84 1tvi s VAL 60 Cb 0.01 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1tvi s VAL 60 CO 0.48 0.02 0.32 -0.76 -3.33 0.00 0.00 175.10 171.83 1tvi s LEU 61 N 0.76 4.45 0.11 2.54 1.02 0.89 -5.00 118.68 123.45 1tvi s LEU 61 Ca -0.04 0.80 0.08 0.00 0.02 0.00 0.00 54.13 54.98 1tvi s LEU 61 Cb -0.05 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1tvi s LEU 61 CO -0.06 0.35 -0.19 0.28 0.02 0.00 0.00 176.35 176.75 1tvi s THR 62 N -1.07 1.62 0.25 5.49 -1.32 -1.26 -0.47 115.64 118.89 1tvi s THR 62 Ca 0.21 -1.58 -0.25 0.00 -1.21 0.00 0.00 61.69 58.86 1tvi s THR 62 Cb -0.15 -1.53 -0.09 0.00 -1.51 0.00 0.00 72.50 69.21 1tvi s THR 62 CO 0.10 -0.14 0.85 -0.36 -2.21 0.00 0.00 174.62 172.86 1tvi s PHE 63 N -1.38 3.76 -0.44 9.09 0.40 -1.21 -4.96 117.98 123.25 1tvi s PHE 63 Ca 0.07 1.67 -0.29 0.00 -0.60 0.00 0.00 56.93 57.78 1tvi s PHE 63 Cb -0.09 -2.82 0.01 0.00 0.51 0.00 0.00 43.02 40.63 1tvi s PHE 63 CO 0.04 0.34 1.43 -1.25 0.70 0.00 0.00 175.22 176.48 1tvi s PRO 64 N -1.74 3.52 0.00 0.24 0.04 -1.26 -4.19 135.00 131.61 1tvi s PRO 64 Ca 0.44 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1tvi s PRO 64 Cb -0.20 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1tvi s PRO 64 CO 0.25 -1.64 0.00 1.47 0.04 0.00 0.00 177.00 177.11 1tvi n LEU 65 N 9.02 0.00 -1.41 -3.56 -0.00 -1.26 -5.10 117.00 114.69 1tvi n LEU 65 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1tvi n LEU 65 Cb 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1tvi n LEU 65 CO 0.71 -0.03 -0.14 0.23 -0.00 0.00 0.00 177.39 178.15 1tvi n MET 66 N -1.09 -0.18 -4.24 1.47 2.81 -1.26 -4.96 117.12 109.67 1tvi n MET 66 Ca 0.00 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 56.01 1tvi n MET 66 Cb 0.00 -0.35 -0.08 0.00 -0.71 0.00 0.00 33.22 32.09 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 0.98 0.42 0.08 0.03 1.02 -1.26 -5.05 120.64 116.85 1tvi n GLU 67 Ca 0.00 -3.32 -0.12 0.00 -0.02 0.00 0.00 57.16 53.70 1tvi n GLU 67 Cb 0.14 2.64 -0.06 0.00 -0.02 0.00 0.00 31.44 34.14 1tvi n GLU 67 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1tvi h GLU 68 N 0.00 -0.19 -2.75 3.49 4.57 -1.93 -3.29 114.58 114.49 1tvi h GLU 68 Ca -0.24 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.33 1tvi h GLU 68 Cb 1.19 0.04 -0.41 0.00 -0.16 0.00 0.00 28.75 29.41 1tvi h GLU 68 CO 0.35 -0.13 -0.52 -0.25 -1.18 0.00 0.00 179.01 177.28 1tvi n ASP 69 N -5.22 3.47 -0.20 1.04 9.92 -1.26 -4.05 116.55 120.25 1tvi n ASP 69 Ca -0.07 -3.31 -0.05 0.00 -0.53 0.00 0.00 54.79 50.83 1tvi n ASP 69 Cb 0.14 -0.75 -0.05 0.00 -0.64 0.00 0.00 41.12 39.82 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1tvi n VAL 70 N 1.52 -0.32 -1.01 2.53 3.14 -1.24 -4.63 118.33 118.32 1tvi n VAL 70 Ca 0.24 1.63 -0.06 0.00 -2.96 0.00 0.00 64.34 63.19 1tvi n VAL 70 Cb 0.37 -2.06 -0.03 0.00 -1.06 0.00 0.00 33.84 31.07 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 -4.10 -0.37 0.00 1.45 9.36 -1.26 -4.85 117.16 117.39 1tvi n TYR 71 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1tvi n TYR 71 Cb 0.12 -1.83 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 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 0.03 1.36 3.03 2.98 0.00 -1.26 -4.72 105.19 106.61 1tvi n GLY 72 Ca -0.06 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.27 1tvi n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 73 N 2.49 1.39 -0.07 1.61 -1.05 -1.26 -1.65 118.70 120.16 1tvi s GLU 73 Ca 0.00 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.46 1tvi s GLU 73 Cb 0.00 -1.22 0.00 0.00 -0.44 0.00 0.00 34.13 32.47 1tvi s GLU 73 CO 0.00 0.10 -0.18 -1.50 0.95 0.00 0.00 175.26 174.63 1tvi s ILE 74 N 0.36 1.60 -0.25 1.83 2.07 0.28 -3.33 121.20 123.75 1tvi s ILE 74 Ca -0.08 -0.77 -0.15 0.00 -1.41 0.00 0.00 60.65 58.25 1tvi s ILE 74 Cb -0.12 -1.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.04 1tvi s ILE 74 CO 0.02 0.46 0.37 -0.31 -1.91 0.00 0.00 174.94 173.57 1tvi s TYR 75 N 0.34 3.28 0.13 3.50 1.51 0.38 -0.09 117.35 126.40 1tvi s TYR 75 Ca -0.13 0.46 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1tvi s TYR 75 Cb -0.15 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 1tvi s TYR 75 CO 0.05 -0.16 0.10 0.08 -1.11 0.00 0.00 175.55 174.52 1tvi s VAL 76 N 1.82 4.47 -0.31 0.71 1.01 0.18 -0.08 120.40 128.20 1tvi s VAL 76 Ca 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1tvi s VAL 76 Cb -0.15 -3.22 0.12 0.00 0.00 0.00 0.00 36.38 33.13 1tvi s VAL 76 CO 0.09 0.00 0.20 0.00 0.00 0.00 0.00 175.10 175.39 1tvi n PRO 78 N 5.00 0.75 -0.06 0.00 -0.04 -1.26 -2.34 135.00 137.05 1tvi n PRO 78 Ca -0.01 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1tvi n PRO 78 Cb 0.43 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.00 -0.46 1.53 7.12 -1.90 -1.32 115.31 120.27 1tvi h LEU 79 Ca 0.00 -0.45 -0.11 0.00 0.13 0.00 0.00 57.88 57.45 1tvi h LEU 79 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 1tvi h LEU 79 CO 0.00 0.73 -0.52 0.40 -0.13 0.00 0.00 178.44 178.92 1tvi h ILE 80 N -1.00 1.02 0.27 4.05 5.03 -1.83 -2.46 117.51 122.60 1tvi h ILE 80 Ca -0.00 -2.06 -0.01 0.00 -0.12 0.00 0.00 64.86 62.66 1tvi h ILE 80 Cb 0.46 2.24 0.00 0.00 -3.03 0.00 0.00 36.82 36.49 1tvi h ILE 80 CO 0.00 0.51 -0.13 0.58 -0.68 0.00 0.00 178.15 178.43 1tvi h VAL 81 N 0.00 0.51 -0.66 1.67 2.07 -1.59 -2.52 116.25 115.72 1tvi h VAL 81 Ca -0.01 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.75 1tvi h VAL 81 Cb 1.20 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 1tvi h VAL 81 CO 0.07 0.12 0.27 1.05 0.02 0.00 0.00 177.57 179.10 1tvi h GLU 82 N -0.96 0.44 -0.05 1.57 4.11 -1.30 0.40 114.58 118.80 1tvi h GLU 82 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.36 59.38 1tvi h GLU 82 Cb 0.48 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1tvi h GLU 82 CO 0.06 0.29 0.04 1.49 0.07 0.00 0.00 179.01 180.96 1tvi h GLU 83 N 0.45 0.00 0.22 1.06 4.57 -1.49 0.82 114.58 120.21 1tvi h GLU 83 Ca 0.34 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.20 1tvi h GLU 83 Cb 0.44 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1tvi h GLU 83 CO -0.33 0.00 -1.42 -0.91 -1.18 0.00 0.00 179.01 175.17 1tvi h ASN 84 N 0.00 0.81 0.39 1.04 2.35 0.11 -0.71 115.58 119.57 1tvi h ASN 84 Ca 0.02 -0.85 -0.14 0.00 -0.55 0.00 0.00 56.30 54.79 1tvi h ASN 84 Cb 0.10 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1tvi h ASN 84 CO -0.00 1.66 -0.57 0.00 -1.65 0.00 0.00 177.43 176.87 1tvi h ALA 85 N 0.22 0.92 0.03 -0.83 0.00 0.67 -2.95 119.26 117.32 1tvi h ALA 85 Ca -0.23 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 53.94 1tvi h ALA 85 Cb 2.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1tvi h ALA 85 CO 0.26 0.71 -0.98 0.00 0.00 0.00 0.00 179.25 179.25 1tvi h ARG 86 N 0.15 0.14 -0.29 0.00 3.08 0.55 0.37 114.38 118.38 1tvi h ARG 86 Ca -0.00 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 59.94 1tvi h ARG 86 Cb 1.05 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1tvi h ARG 86 CO 0.09 1.01 0.45 1.05 -1.07 0.00 0.00 179.97 181.49 1tvi h GLU 87 N 0.06 0.00 0.00 0.04 -0.00 -0.94 -3.37 114.58 110.38 1tvi h GLU 87 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1tvi h GLU 87 Cb 1.66 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.41 1tvi h GLU 87 CO 0.14 0.00 0.00 1.19 -0.00 0.00 0.00 179.01 180.34 1tvi n PHE 88 N -3.41 0.00 0.00 2.06 3.01 -1.19 -5.08 117.46 112.85 1tvi n PHE 88 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1tvi n PHE 88 Cb 0.58 0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1tvi n ASN 89 N -1.20 0.00 -4.88 4.37 4.05 0.22 -5.10 115.26 112.72 1tvi n ASN 89 Ca 0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 1tvi n ASN 89 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 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 0.00 6.61 -0.70 1.20 2.47 0.10 -4.99 114.94 119.63 1tvi s ASN 90 Ca 0.00 0.93 -0.26 0.00 0.42 0.00 0.00 52.86 53.95 1tvi s ASN 90 Cb 0.00 -2.23 -0.02 0.00 -1.45 0.00 0.00 41.25 37.55 1tvi s ASN 90 CO 0.00 -0.11 1.80 0.42 -3.72 0.00 0.00 177.10 175.48 1tvi s THR 91 N -1.89 3.44 0.38 -5.21 -4.23 -1.26 -4.60 115.64 102.27 1tvi s THR 91 Ca 0.48 0.07 0.19 0.00 -1.18 0.00 0.00 61.69 61.25 1tvi s THR 91 Cb -0.11 -4.11 0.39 0.00 1.34 0.00 0.00 72.50 70.01 1tvi s THR 91 CO 0.23 -1.07 1.70 0.15 -0.54 0.00 0.00 174.62 175.09 1tvi h PHE 92 N 13.45 0.74 -0.45 3.99 3.04 -1.94 0.54 116.94 136.31 1tvi h PHE 92 Ca -0.17 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.84 1tvi h PHE 92 Cb 1.11 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.38 1tvi h PHE 92 CO 1.10 -0.07 0.24 1.05 -2.02 0.00 0.00 178.31 178.61 1tvi h GLU 93 N 0.32 0.47 -0.26 1.11 4.11 -1.98 0.28 114.58 118.64 1tvi h GLU 93 Ca 0.69 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 60.06 1tvi h GLU 93 Cb 1.77 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1tvi h GLU 93 CO -0.43 0.31 0.03 -0.22 0.07 0.00 0.00 179.01 178.77 1tvi h LYS 94 N 0.48 0.43 -0.89 1.06 3.64 -0.40 0.86 116.57 121.76 1tvi h LYS 94 Ca 0.19 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 1tvi h LYS 94 Cb 0.07 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 1tvi h LYS 94 CO -0.12 0.57 0.55 1.49 -2.27 0.00 0.00 179.45 179.67 1tvi h GLU 95 N 0.24 0.93 0.00 1.90 4.22 -0.61 0.42 114.58 121.68 1tvi h GLU 95 Ca 0.08 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.28 1tvi h GLU 95 Cb 0.35 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1tvi h GLU 95 CO 0.01 0.61 -0.87 1.25 -2.18 0.00 0.00 179.01 177.83 1tvi h LEU 96 N 0.96 0.00 -0.78 1.64 7.12 -0.19 -3.16 115.31 120.90 1tvi h LEU 96 Ca 0.40 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 58.32 1tvi h LEU 96 Cb 0.26 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 1tvi h LEU 96 CO -0.20 0.87 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.80 1tvi h LEU 97 N 0.00 0.80 0.70 2.25 4.07 0.25 -1.91 115.31 121.47 1tvi h LEU 97 Ca -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.68 1tvi h LEU 97 Cb 1.58 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1tvi h LEU 97 CO 0.11 0.93 -0.44 -0.33 -1.08 0.00 0.00 178.44 177.63 1tvi h GLU 98 N 0.73 -1.04 -0.11 1.13 5.08 -0.21 0.49 114.58 120.65 1tvi h GLU 98 Ca 0.12 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1tvi h GLU 98 Cb 0.60 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1tvi h GLU 98 CO 0.04 -0.69 0.16 -0.39 -1.00 0.00 0.00 179.01 177.12 1tvi h VAL 99 N -1.08 0.37 0.21 3.13 -1.51 -1.55 1.58 116.25 117.41 1tvi h VAL 99 Ca -0.09 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1tvi h VAL 99 Cb 0.87 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1tvi h VAL 99 CO 0.08 0.00 -0.10 0.58 -1.23 0.00 0.00 177.57 176.90 1tvi h VAL 100 N 0.00 0.47 0.00 7.19 2.07 -0.37 -3.21 116.25 122.40 1tvi h VAL 100 Ca 0.05 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1tvi h VAL 100 Cb 0.36 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1tvi h VAL 100 CO -0.00 0.13 0.00 0.16 0.02 0.00 0.00 177.57 177.88 1tvi h ILE 101 N -0.99 0.00 -0.89 4.57 3.07 0.81 -2.85 117.51 121.23 1tvi h ILE 101 Ca -0.03 -0.37 0.21 0.00 1.55 0.00 0.00 64.86 66.22 1tvi h ILE 101 Cb 0.43 1.23 -0.06 0.00 -0.27 0.00 0.00 36.82 38.14 1tvi h ILE 101 CO 0.05 0.00 0.59 -0.74 -1.05 0.00 0.00 178.15 177.00 1tvi h HIS 102 N 0.00 0.47 0.09 0.16 2.76 0.23 3.15 115.15 122.01 1tvi h HIS 102 Ca 0.00 0.01 -0.26 0.00 -2.20 0.00 0.00 60.37 57.92 1tvi h HIS 102 Cb 0.46 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1tvi h HIS 102 CO 0.00 0.12 -1.22 0.78 -1.30 0.00 0.00 177.93 176.31 1tvi h GLY 103 N 0.35 0.23 0.00 5.26 0.00 -1.62 -2.71 103.07 104.57 1tvi h GLY 103 Ca 0.46 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1tvi h GLY 103 CO -0.15 0.50 -0.03 -2.22 0.00 0.00 0.00 176.54 174.64 1tvi h ILE 104 N 0.05 0.64 -0.52 2.60 2.04 -0.60 -2.87 117.51 118.86 1tvi h ILE 104 Ca -0.12 -1.49 0.11 0.00 1.00 0.00 0.00 64.86 64.36 1tvi h ILE 104 Cb 1.93 1.22 -0.10 0.00 -0.74 0.00 0.00 36.82 39.13 1tvi h ILE 104 CO 0.18 0.22 -0.17 0.17 0.00 0.00 0.00 178.15 178.54 1tvi h LEU 105 N -1.00 -0.62 -2.30 1.44 8.10 0.54 1.62 115.31 123.09 1tvi h LEU 105 Ca -0.01 0.17 0.01 0.00 0.11 0.00 0.00 57.88 58.16 1tvi h LEU 105 Cb 0.38 0.37 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1tvi h LEU 105 CO -0.00 -0.21 0.03 -0.74 -4.11 0.00 0.00 178.44 173.41 1tvi h HIS 106 N -0.05 0.00 0.00 0.17 2.76 -1.59 0.21 115.15 116.65 1tvi h HIS 106 Ca 0.25 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1tvi h HIS 106 Cb 0.43 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1tvi h HIS 106 CO -0.47 0.00 -0.97 -0.07 -1.30 0.00 0.00 177.93 175.12 1tvi h LEU 107 N 0.00 0.00 -2.91 0.26 3.38 0.15 -3.24 115.31 112.95 1tvi h LEU 107 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1tvi h LEU 107 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1tvi h LEU 107 CO -0.00 0.50 0.02 0.00 0.09 0.00 0.00 178.44 179.05 1tvi h ALA 108 N 1.50 1.06 -1.06 1.53 0.00 0.51 -3.44 119.26 119.35 1tvi h ALA 108 Ca -0.08 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1tvi h ALA 108 Cb 1.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1tvi h ALA 108 CO 0.05 -0.02 -0.34 0.41 0.00 0.00 0.00 179.25 179.35 1tvi n GLY 109 N -1.10 -2.99 0.00 0.00 0.00 -1.17 -5.03 105.19 94.90 1tvi n GLY 109 Ca -0.03 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1tvi n GLY 109 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tvi n TYR 110 N -2.32 -0.16 -0.01 1.61 4.01 -1.26 -5.00 117.16 114.03 1tvi n TYR 110 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 1tvi n TYR 110 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1tvi n ASP 111 N -0.16 3.53 -4.07 7.72 -0.08 -1.26 -5.06 116.55 117.17 1tvi n ASP 111 Ca 0.00 -0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.92 1tvi n ASP 111 Cb 0.00 -0.02 0.06 0.00 2.34 0.00 0.00 41.12 43.50 1tvi n ASP 111 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1tvi n HIS 112 N -2.59 -3.69 0.33 -0.67 -0.00 -1.26 -4.86 115.22 102.48 1tvi n HIS 112 Ca -0.02 0.16 0.12 0.00 0.46 0.00 0.00 57.72 58.44 1tvi n HIS 112 Cb 0.52 -1.47 0.23 0.00 -0.12 0.00 0.00 29.99 29.15 1tvi n HIS 112 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tvi n GLU 113 N 1.70 2.49 -3.66 1.57 1.02 -1.26 -4.94 120.64 117.55 1tvi n GLU 113 Ca -0.01 -2.25 -0.27 0.00 -0.02 0.00 0.00 57.16 54.61 1tvi n GLU 113 Cb 0.60 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 1tvi n GLU 113 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tvi n PHE 114 N 1.45 -1.78 -3.84 -0.32 3.72 -1.26 -4.85 117.46 110.59 1tvi n PHE 114 Ca 0.20 0.58 0.01 0.00 -0.05 0.00 0.00 57.45 58.18 1tvi n PHE 114 Cb 0.60 -2.85 0.01 0.00 -0.94 0.00 0.00 39.48 36.29 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1tvi s GLU 115 N -6.33 0.55 0.17 -1.08 0.41 -1.26 -5.00 118.70 106.16 1tvi s GLU 115 Ca 0.52 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 1tvi s GLU 115 Cb -0.28 0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.23 1tvi s GLU 115 CO 0.64 -0.26 0.00 -3.47 -0.49 0.00 0.00 175.26 171.68 1tvi n ASP 116 N -0.87 -9.29 0.00 -0.19 -0.08 -1.26 -4.43 116.55 100.42 1tvi n ASP 116 Ca -0.02 1.53 0.00 0.00 -1.51 0.00 0.00 54.79 54.79 1tvi n ASP 116 Cb 0.60 -5.22 0.00 0.00 2.34 0.00 0.00 41.12 38.85 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1tvi n LYS 117 N 1.95 0.00 0.00 -0.67 3.00 -1.26 -4.78 118.16 116.39 1tvi n LYS 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1tvi n LYS 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1tvi n LYS 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1tvi n ASN 118 N 5.09 0.00 -4.07 3.14 3.02 -1.26 -5.09 115.26 116.09 1tvi n ASN 118 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1tvi n ASN 118 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1tvi n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1tvi s SER 119 N 0.00 5.56 -0.12 6.41 1.04 -1.26 -4.77 113.70 120.56 1tvi s SER 119 Ca 0.00 -3.47 -0.24 0.00 0.48 0.00 0.00 55.95 52.72 1tvi s SER 119 Cb 0.00 -1.85 -0.21 0.00 0.10 0.00 0.00 66.02 64.06 1tvi s SER 119 CO 0.00 -0.22 0.70 0.11 0.98 0.00 0.00 173.24 174.80 1tvi h LYS 120 N 6.23 -0.02 -0.70 4.02 1.57 -1.98 -3.04 116.57 122.65 1tvi h LYS 120 Ca 0.10 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1tvi h LYS 120 Cb 0.85 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 1tvi h LYS 120 CO 0.79 0.75 0.34 1.49 -0.57 0.00 0.00 179.45 182.26 1tvi h GLU 121 N -0.95 0.57 -0.56 3.15 4.81 -2.01 -1.38 114.58 118.21 1tvi h GLU 121 Ca -0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1tvi h GLU 121 Cb 0.78 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1tvi h GLU 121 CO 0.00 0.38 0.26 1.98 -0.73 0.00 0.00 179.01 180.90 1tvi h MET 122 N 0.59 0.48 -0.80 1.92 4.05 -1.96 -0.28 114.93 118.92 1tvi h MET 122 Ca 0.34 -0.03 0.20 0.00 -0.28 0.00 0.00 59.70 59.94 1tvi h MET 122 Cb 0.36 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1tvi h MET 122 CO -0.27 0.31 0.55 0.35 0.23 0.00 0.00 176.91 178.09 1tvi h PHE 123 N 0.49 0.24 0.28 1.39 3.57 -1.13 0.60 116.94 122.37 1tvi h PHE 123 Ca 0.26 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1tvi h PHE 123 Cb 0.22 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1tvi h PHE 123 CO -0.12 0.07 -0.13 0.93 -2.23 0.00 0.00 178.31 176.82 1tvi h GLU 124 N 0.18 -0.36 -1.00 1.11 4.39 -0.89 -1.19 114.58 116.83 1tvi h GLU 124 Ca 0.39 0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.28 1tvi h GLU 124 Cb 1.27 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.91 1tvi h GLU 124 CO -0.07 -0.22 0.62 0.87 -1.16 0.00 0.00 179.01 179.04 1tvi h LYS 125 N -1.09 0.83 -0.47 2.33 1.79 -0.76 0.32 116.57 119.51 1tvi h LYS 125 Ca -0.04 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 1tvi h LYS 125 Cb 0.30 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1tvi h LYS 125 CO 0.06 0.55 -0.08 0.37 -1.08 0.00 0.00 179.45 179.27 1tvi h GLN 126 N 0.86 0.84 0.00 3.15 4.15 0.11 -1.68 115.11 122.55 1tvi h GLN 126 Ca 0.54 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1tvi h GLN 126 Cb 0.71 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1tvi h GLN 126 CO -0.32 0.90 0.00 0.87 -1.93 0.00 0.00 178.83 178.35 1tvi h LYS 127 N 0.76 0.00 0.46 1.69 1.57 0.75 -1.34 116.57 120.46 1tvi h LYS 127 Ca 0.13 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1tvi h LYS 127 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1tvi h LYS 127 CO 0.04 0.00 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.47 1tvi h LYS 128 N 0.00 -0.59 -0.12 3.15 3.64 0.38 -0.91 116.57 122.11 1tvi h LYS 128 Ca 0.00 0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1tvi h LYS 128 Cb 0.57 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1tvi h LYS 128 CO 0.00 -0.30 -0.67 1.88 -2.27 0.00 0.00 179.45 178.09 1tvi h TYR 129 N -0.86 0.65 -0.12 1.91 0.05 -1.49 -1.23 116.97 115.88 1tvi h TYR 129 Ca -0.06 -0.27 0.04 0.00 0.05 0.00 0.00 58.73 58.49 1tvi h TYR 129 Cb 0.57 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 1tvi h TYR 129 CO 0.00 1.02 -0.11 0.28 -1.05 0.00 0.00 178.16 178.30 1tvi h VAL 130 N 0.35 0.68 -0.27 -2.88 2.07 -1.24 1.54 116.25 116.50 1tvi h VAL 130 Ca -0.02 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1tvi h VAL 130 Cb 1.24 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1tvi h VAL 130 CO 0.12 0.00 -0.38 -0.33 0.02 0.00 0.00 177.57 177.00 1tvi h GLU 131 N -0.13 0.62 0.16 1.57 4.39 -1.16 0.56 114.58 120.59 1tvi h GLU 131 Ca 0.08 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1tvi h GLU 131 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1tvi h GLU 131 CO -0.20 0.90 -0.08 0.93 -1.16 0.00 0.00 179.01 179.40 1tvi h GLU 132 N 0.51 -0.21 -0.20 2.33 3.07 -0.39 1.46 114.58 121.15 1tvi h GLU 132 Ca 0.05 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1tvi h GLU 132 Cb 0.90 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1tvi h GLU 132 CO 0.08 0.06 -0.40 0.28 -1.40 0.00 0.00 179.01 177.63 1tvi h VAL 133 N -0.48 1.30 0.00 3.13 2.07 0.22 -1.66 116.25 120.83 1tvi h VAL 133 Ca -0.02 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1tvi h VAL 133 Cb 0.37 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1tvi h VAL 133 CO 0.04 0.48 0.00 1.87 0.02 0.00 0.00 177.57 179.98 1tvi n TRP 134 N -4.03 0.72 -0.20 1.57 -0.00 0.20 -3.35 117.44 112.35 1tvi n TRP 134 Ca -0.02 0.22 0.29 0.00 -0.00 0.00 0.00 57.50 57.99 1tvi n TRP 134 Cb 0.50 -0.85 0.72 0.00 -0.00 0.00 0.00 31.31 31.67 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 4.37 0.06 0.00 5.87 0.00 0.30 1.68 103.07 115.35 1tvi h GLY 135 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1tvi h GLY 135 CO 0.00 -0.00 -0.81 -2.09 0.00 0.00 0.00 176.54 173.64 1tvi h GLU 136 N 0.02 0.00 0.00 4.80 4.81 -1.70 -3.33 114.58 119.18 1tvi h GLU 136 Ca 0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1tvi h GLU 136 Cb 1.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.13 1tvi h GLU 136 CO -0.02 0.80 -0.00 -1.49 -0.73 0.00 0.00 179.01 177.57 1tvi h TRP 137 N -1.00 0.00 -0.94 0.92 4.06 -1.46 -0.74 115.95 116.79 1tvi h TRP 137 Ca -0.20 0.00 0.12 0.00 2.06 0.00 0.00 58.89 60.87 1tvi h TRP 137 Cb 1.05 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.14 1tvi h TRP 137 CO 0.09 0.00 0.60 -0.09 -3.56 0.00 0.00 178.44 175.48 1tvi h ARG 138 N 0.00 0.86 0.00 0.49 2.43 0.24 0.66 114.38 119.06 1tvi h ARG 138 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1tvi h ARG 138 Cb 0.01 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1tvi h ARG 138 CO 0.00 0.57 0.00 0.43 -1.51 0.00 0.00 179.97 179.46 1tvi n SER 139 N -4.58 0.46 -3.31 -3.80 7.64 -0.28 -2.97 113.62 106.78 1tvi n SER 139 Ca 0.17 0.67 -0.25 0.00 1.01 0.00 0.00 58.87 60.47 1tvi n SER 139 Cb 0.37 -0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 1tvi n SER 139 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1tvi n ASN 140 N -2.07 1.84 -2.38 6.43 0.23 0.23 -5.02 115.26 114.51 1tvi n ASN 140 Ca 0.00 -3.04 -0.03 0.00 -0.53 0.00 0.00 54.58 50.99 1tvi n ASN 140 Cb 0.09 -0.65 0.02 0.00 -2.08 0.00 0.00 39.78 37.16 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1tvi n PRO 141 N 1.18 -0.65 -3.09 -0.53 -0.04 -1.16 -4.73 135.00 125.99 1tvi n PRO 141 Ca 0.25 -0.17 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1tvi n PRO 141 Cb 0.47 -0.14 -0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1tvi n PRO 141 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tvi n SER 142 N -3.12 -6.73 0.00 3.54 7.64 -1.26 -4.76 113.62 108.92 1tvi n SER 142 Ca 0.01 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1tvi n SER 142 Cb 0.05 -2.20 0.71 0.00 -1.01 0.00 0.00 64.21 61.76 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tvi n GLU 143 N 1.46 0.68 -2.71 1.43 -0.58 -1.26 -4.03 120.64 115.63 1tvi n GLU 143 Ca -0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1tvi n GLU 143 Cb 0.35 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 1tvi n GLU 143 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1tvi n ASP 144 N -1.06 -2.21 0.00 1.62 2.03 -1.26 -5.07 116.55 110.60 1tvi n ASP 144 Ca 0.17 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 53.09 1tvi n ASP 144 Cb 0.11 1.27 0.00 0.00 -0.72 0.00 0.00 41.12 41.78 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1tvi n SER 145 N 1.90 0.00 -4.30 1.67 2.88 -1.26 -5.15 113.62 109.37 1tvi n SER 145 Ca 0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.27 1tvi n SER 145 Cb 0.65 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.97 1tvi n SER 145 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1tvi s ASP 146 N 0.00 4.13 -0.06 -3.46 1.47 -1.26 -4.73 116.67 112.75 1tvi s ASP 146 Ca 0.00 -0.41 -0.12 0.00 1.18 0.00 0.00 52.55 53.20 1tvi s ASP 146 Cb 0.00 -1.69 -0.08 0.00 -0.34 0.00 0.00 42.92 40.81 1tvi s ASP 146 CO 0.00 0.01 0.49 1.55 0.68 0.00 0.00 175.17 177.90 1tvi h PRO 147 N 7.88 -0.28 0.00 2.11 0.13 -2.01 -3.48 132.00 136.36 1tvi h PRO 147 Ca -0.40 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1tvi h PRO 147 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1tvi h PRO 147 CO 0.60 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1tvi n GLY 148 N 0.92 0.00 3.43 1.56 0.00 -1.26 -5.17 105.19 104.67 1tvi n GLY 148 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 1.22 0.00 1.61 2.20 -1.26 -5.36 119.74 118.14 1tvi s LYS 149 Ca 0.00 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1tvi s LYS 149 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1tvi s LYS 149 CO 0.00 -0.53 0.00 0.54 -0.36 0.00 0.00 175.35 175.00