#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n s SER 2 N 0.00 -0.41 -0.27 1.61 1.04 -1.26 -5.16 113.70 109.25 1v5n s SER 2 Ca 0.00 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 1v5n s SER 2 Cb 0.00 0.35 0.13 0.00 0.10 0.00 0.00 66.02 66.59 1v5n s SER 2 CO 0.00 -0.42 0.58 -0.44 0.98 0.00 0.00 173.24 173.95 1v5n s SER 3 N -1.31 -0.92 0.00 7.02 0.01 -1.26 -5.12 113.70 112.12 1v5n s SER 3 Ca -0.02 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.59 1v5n s SER 3 Cb -0.00 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.27 1v5n s SER 3 CO 0.01 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1v5n n GLY 4 N 5.43 0.18 2.82 3.44 0.00 -1.26 -5.00 105.19 110.79 1v5n n GLY 4 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1v5n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v5n n SER 5 N 0.00 -4.06 -3.73 1.61 2.88 -1.26 -5.01 113.62 104.05 1v5n n SER 5 Ca 0.00 -0.38 -0.29 0.00 -1.33 0.00 0.00 58.87 56.87 1v5n n SER 5 Cb 0.00 -3.55 -0.15 0.00 -0.75 0.00 0.00 64.21 59.76 1v5n n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v5n s SER 6 N -3.42 3.76 0.00 -3.46 0.01 -1.26 -5.13 113.70 104.20 1v5n s SER 6 Ca 0.28 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1v5n s SER 6 Cb -0.12 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1v5n s SER 6 CO 0.49 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1v5n n GLY 7 N 4.91 -2.10 3.39 3.44 0.00 -1.26 -5.02 105.19 108.55 1v5n n GLY 7 Ca -0.04 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1v5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 8 N 0.00 3.17 -0.75 2.61 -4.23 -1.26 -4.98 115.64 110.21 1v5n s THR 8 Ca 0.00 -0.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1v5n s THR 8 Cb 0.00 -2.34 0.18 0.00 1.34 0.00 0.00 72.50 71.68 1v5n s THR 8 CO 0.00 0.52 1.07 1.21 -0.54 0.00 0.00 174.62 176.88 1v5n n GLU 9 N 3.51 2.20 -0.35 3.99 2.13 -1.26 -4.72 120.64 126.14 1v5n n GLU 9 Ca -0.18 -1.66 0.09 0.00 0.66 0.00 0.00 57.16 56.07 1v5n n GLU 9 Cb 0.53 -1.18 0.20 0.00 0.27 0.00 0.00 31.44 31.25 1v5n n GLU 9 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1v5n h GLU 10 N 1.47 0.00 -4.98 5.31 4.57 -2.05 -3.33 114.58 115.59 1v5n h GLU 10 Ca 0.00 -0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 1v5n h GLU 10 Cb 0.58 -0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 28.89 1v5n h GLU 10 CO 0.00 0.00 -0.72 1.03 -1.18 0.00 0.00 179.01 178.14 1v5n s ARG 11 N -6.15 3.29 -0.29 1.92 0.52 -1.26 -5.09 118.95 111.89 1v5n s ARG 11 Ca -0.14 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1v5n s ARG 11 Cb 0.27 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.74 1v5n s ARG 11 CO 0.78 -0.23 0.06 -0.51 0.02 0.00 0.00 175.30 175.41 1v5n s LEU 12 N 1.46 3.74 -0.09 2.53 1.02 -1.25 -4.99 118.68 121.10 1v5n s LEU 12 Ca 0.05 -0.72 -0.04 0.00 0.02 0.00 0.00 54.13 53.44 1v5n s LEU 12 Cb -0.15 -1.85 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1v5n s LEU 12 CO -0.03 -0.18 -0.08 0.11 0.02 0.00 0.00 176.35 176.19 1v5n h LYS 13 N 8.20 0.00 0.43 1.70 1.57 -1.98 -3.30 116.57 123.19 1v5n h LYS 13 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1v5n h LYS 13 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1v5n h LYS 13 CO 0.60 0.00 -0.44 1.49 -0.57 0.00 0.00 179.45 180.53 1v5n h GLU 14 N -0.70 -0.85 -0.42 3.15 4.81 -1.99 -2.32 114.58 116.25 1v5n h GLU 14 Ca 0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1v5n h GLU 14 Cb 0.22 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1v5n h GLU 14 CO 0.00 -0.57 -0.30 0.82 -0.73 0.00 0.00 179.01 178.24 1v5n h ILE 15 N -0.88 0.00 -0.73 2.32 5.03 -1.99 0.53 117.51 121.78 1v5n h ILE 15 Ca -0.04 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.83 1v5n h ILE 15 Cb 0.78 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.44 1v5n h ILE 15 CO -0.07 0.00 -0.32 -0.33 -0.68 0.00 0.00 178.15 176.75 1v5n h GLU 16 N -0.06 -0.09 -0.32 2.37 4.39 -1.62 0.65 114.58 119.90 1v5n h GLU 16 Ca 0.07 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1v5n h GLU 16 Cb 0.23 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1v5n h GLU 16 CO -0.43 -0.06 0.20 0.00 -1.16 0.00 0.00 179.01 177.56 1v5n h ALA 17 N 1.26 1.75 -0.79 3.43 0.00 -0.49 -2.13 119.26 122.28 1v5n h ALA 17 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1v5n h ALA 17 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1v5n h ALA 17 CO -0.78 0.23 0.44 -0.22 0.00 0.00 0.00 179.25 178.91 1v5n h LYS 18 N 0.43 1.11 -0.58 0.00 1.63 0.53 -2.73 116.57 116.97 1v5n h LYS 18 Ca 0.12 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1v5n h LYS 18 Cb -0.03 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 1v5n h LYS 18 CO -0.02 0.82 0.38 1.88 -3.45 0.00 0.00 179.45 179.06 1v5n h TYR 19 N 1.10 0.72 -0.93 1.91 0.05 -0.62 -2.51 116.97 116.71 1v5n h TYR 19 Ca 0.28 0.02 0.27 0.00 0.05 0.00 0.00 58.73 59.35 1v5n h TYR 19 Cb 0.03 -0.24 -0.15 0.00 1.01 0.00 0.00 36.73 37.38 1v5n h TYR 19 CO 0.00 0.45 0.30 -0.44 -1.05 0.00 0.00 178.16 177.42 1v5n h ASP 20 N 0.78 0.06 -0.87 3.88 3.32 -1.39 0.79 116.42 122.98 1v5n h ASP 20 Ca 0.21 0.21 0.10 0.00 0.02 0.00 0.00 57.03 57.58 1v5n h ASP 20 Cb -0.08 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1v5n h ASP 20 CO -0.05 -0.20 0.56 -0.08 -1.72 0.00 0.00 179.24 177.75 1v5n h GLU 21 N 0.19 0.81 -0.06 3.56 4.81 -1.49 1.22 114.58 123.62 1v5n h GLU 21 Ca 0.62 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.66 1v5n h GLU 21 Cb 1.33 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1v5n h GLU 21 CO -0.69 0.53 -0.58 0.82 -0.73 0.00 0.00 179.01 178.36 1v5n h ILE 22 N 0.83 1.39 -0.33 2.32 2.04 0.49 -3.12 117.51 121.13 1v5n h ILE 22 Ca 0.41 -1.95 -0.13 0.00 1.00 0.00 0.00 64.86 64.19 1v5n h ILE 22 Cb 0.46 1.99 -0.08 0.00 -0.74 0.00 0.00 36.82 38.45 1v5n h ILE 22 CO -0.17 0.57 -0.03 0.00 0.00 0.00 0.00 178.15 178.52 1v5n n ALA 23 N -2.46 3.89 -0.00 1.87 0.00 -0.19 -4.65 120.51 118.98 1v5n n ALA 23 Ca -0.02 -2.87 -0.01 0.00 0.00 0.00 0.00 53.44 50.54 1v5n n ALA 23 Cb 0.60 -0.74 0.28 0.00 0.00 0.00 0.00 19.45 19.59 1v5n n ALA 23 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1v5n h LYS 24 N 1.20 0.52 0.00 0.00 2.10 0.15 -3.08 116.57 117.47 1v5n h LYS 24 Ca 0.16 -0.12 -0.34 0.00 -2.00 0.00 0.00 60.65 58.36 1v5n h LYS 24 Cb 1.61 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 32.81 1v5n h LYS 24 CO 0.35 0.57 -2.09 -0.25 -2.00 0.00 0.00 179.45 176.04 1v5n n ASP 25 N -4.26 0.47 -4.66 7.07 9.92 -1.26 -4.94 116.55 118.89 1v5n n ASP 25 Ca 0.01 0.18 -0.49 0.00 -0.53 0.00 0.00 54.79 53.97 1v5n n ASP 25 Cb 0.26 0.46 -0.05 0.00 -0.64 0.00 0.00 41.12 41.16 1v5n n ASP 25 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1v5n n TRP 26 N -2.91 2.15 -2.26 1.24 8.01 -1.16 -4.93 117.44 117.58 1v5n n TRP 26 Ca -0.26 0.27 -0.36 0.00 -1.31 0.00 0.00 57.50 55.84 1v5n n TRP 26 Cb 1.11 -2.54 -0.01 0.00 -2.01 0.00 0.00 31.31 27.86 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1v5n s PRO 27 N 1.96 3.61 0.21 -0.99 0.04 -1.26 -4.96 135.00 133.61 1v5n s PRO 27 Ca 0.85 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.58 1v5n s PRO 27 Cb -0.76 -2.25 0.18 0.00 0.04 0.00 0.00 34.50 31.70 1v5n s PRO 27 CO 0.45 -0.66 1.57 0.87 0.04 0.00 0.00 177.00 179.27 1v5n h LYS 28 N 1.73 0.60 -4.71 4.56 1.79 -1.94 -3.42 116.57 115.17 1v5n h LYS 28 Ca -0.50 -0.31 -0.61 0.00 -2.18 0.00 0.00 60.65 57.05 1v5n h LYS 28 Cb 1.25 0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 31.55 1v5n h LYS 28 CO 0.59 0.91 -0.84 0.15 -1.08 0.00 0.00 179.45 179.18 1v5n s LYS 29 N -4.23 2.38 0.11 3.15 -0.14 -1.26 -1.91 119.74 117.83 1v5n s LYS 29 Ca -0.08 -0.61 0.09 0.00 -1.36 0.00 0.00 55.97 54.01 1v5n s LYS 29 Cb 0.12 -2.19 -0.04 0.00 -1.68 0.00 0.00 37.83 34.04 1v5n s LYS 29 CO 0.83 -0.24 -0.17 0.54 -0.76 0.00 0.00 175.35 175.55 1v5n s VAL 30 N 1.46 2.92 -0.98 3.17 0.11 -0.92 -4.95 120.40 121.21 1v5n s VAL 30 Ca 0.05 -1.45 -0.06 0.00 -2.93 0.00 0.00 61.98 57.58 1v5n s VAL 30 Cb -0.13 -2.34 0.25 0.00 -1.53 0.00 0.00 36.38 32.63 1v5n s VAL 30 CO -0.11 0.12 0.93 -0.75 -3.33 0.00 0.00 175.10 171.95 1v5n s LYS 31 N -2.11 3.73 0.66 1.54 2.47 -1.26 -1.05 119.74 123.71 1v5n s LYS 31 Ca 0.18 -3.15 -0.17 0.00 -1.56 0.00 0.00 55.97 51.27 1v5n s LYS 31 Cb -0.11 -4.28 -0.00 0.00 -1.46 0.00 0.00 37.83 31.98 1v5n s LYS 31 CO 0.10 -1.25 1.23 -1.58 0.16 0.00 0.00 175.35 174.01 1v5n s HIS 32 N -1.12 2.18 -0.05 4.03 5.65 -1.26 -4.84 115.29 119.88 1v5n s HIS 32 Ca 0.28 1.54 -0.26 0.00 0.25 0.00 0.00 55.06 56.87 1v5n s HIS 32 Cb -0.09 -3.54 -0.22 0.00 -1.18 0.00 0.00 32.58 27.55 1v5n s HIS 32 CO -0.10 -2.56 1.11 -0.24 -0.65 0.00 0.00 174.74 172.31 1v5n h VAL 33 N 0.36 1.51 0.00 0.89 3.04 -1.95 0.33 116.25 120.43 1v5n h VAL 33 Ca -0.50 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.57 1v5n h VAL 33 Cb 1.31 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 33.13 1v5n h VAL 33 CO 0.53 0.43 -0.06 -0.07 -1.01 0.00 0.00 177.57 177.38 1v5n h LEU 34 N -0.56 0.00 -3.03 3.16 3.38 -1.99 -2.11 115.31 114.16 1v5n h LEU 34 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1v5n h LEU 34 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1v5n h LEU 34 CO 0.01 0.06 -0.34 1.57 0.09 0.00 0.00 178.44 179.84 1v5n n HIS 35 N -3.96 0.10 -0.33 1.13 -0.00 -1.21 -4.81 115.22 106.14 1v5n n HIS 35 Ca -0.03 -1.38 0.31 0.00 0.46 0.00 0.00 57.72 57.09 1v5n n HIS 35 Cb 0.15 -0.25 0.55 0.00 -0.12 0.00 0.00 29.99 30.33 1v5n n HIS 35 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1v5n n GLU 36 N -1.18 -0.05 -0.27 1.57 0.28 0.12 -0.44 120.64 120.66 1v5n n GLU 36 Ca 0.19 1.20 0.03 0.00 -0.16 0.00 0.00 57.16 58.42 1v5n n GLU 36 Cb 0.71 -2.21 0.08 0.00 1.43 0.00 0.00 31.44 31.45 1v5n n GLU 36 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1v5n n GLU 37 N -4.84 -0.10 -4.28 3.44 4.71 -1.26 -4.60 120.64 113.71 1v5n n GLU 37 Ca 0.35 1.16 -0.17 0.00 -0.01 0.00 0.00 57.16 58.49 1v5n n GLU 37 Cb 1.24 -1.73 -0.09 0.00 -1.01 0.00 0.00 31.44 29.84 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1v5n s HIS 38 N -5.88 1.50 -0.28 -0.32 3.76 0.41 -5.14 115.29 109.35 1v5n s HIS 38 Ca -0.11 -1.45 -0.07 0.00 -0.15 0.00 0.00 55.06 53.28 1v5n s HIS 38 Cb 0.19 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 33.14 1v5n s HIS 38 CO 0.57 -0.65 0.08 -1.21 -0.85 0.00 0.00 174.74 172.68 1v5n s GLU 39 N -3.84 3.38 1.11 1.40 2.02 -1.26 -4.39 118.70 117.14 1v5n s GLU 39 Ca 0.38 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.57 1v5n s GLU 39 Cb 0.05 -3.37 0.21 0.00 0.10 0.00 0.00 34.13 31.12 1v5n s GLU 39 CO 0.18 -0.32 0.74 1.28 0.02 0.00 0.00 175.26 177.16 1v5n n LEU 40 N 4.91 -0.94 -3.83 1.80 7.99 -0.22 -4.59 117.00 122.12 1v5n n LEU 40 Ca -0.15 -0.04 -0.29 0.00 -0.01 0.00 0.00 56.01 55.52 1v5n n LEU 40 Cb 0.50 -1.21 -0.16 0.00 -0.11 0.00 0.00 43.42 42.44 1v5n n LEU 40 CO 0.32 -3.13 -0.39 -0.70 -1.51 0.00 0.00 177.39 171.98 1v5n s GLU 41 N -4.14 1.09 -0.72 3.23 2.12 0.20 -2.18 118.70 118.31 1v5n s GLU 41 Ca 0.64 -0.77 -0.31 0.00 0.36 0.00 0.00 54.97 54.90 1v5n s GLU 41 Cb -0.22 -2.33 -0.18 0.00 0.26 0.00 0.00 34.13 31.67 1v5n s GLU 41 CO 0.65 -0.67 2.17 -0.11 -0.54 0.00 0.00 175.26 176.76 1v5n n LEU 42 N 4.85 0.39 -4.57 2.70 7.94 -0.80 -2.23 117.00 125.27 1v5n n LEU 42 Ca -0.09 0.31 -0.33 0.00 -1.11 0.00 0.00 56.01 54.79 1v5n n LEU 42 Cb 0.45 -0.79 -0.11 0.00 0.53 0.00 0.00 43.42 43.50 1v5n n LEU 42 CO 0.15 -0.64 -0.40 -0.89 -1.11 0.00 0.00 177.39 174.51 1v5n s THR 43 N 6.90 3.55 -0.07 1.96 2.01 0.14 -4.87 115.64 125.27 1v5n s THR 43 Ca 1.13 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1v5n s THR 43 Cb -1.16 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1v5n s THR 43 CO 0.48 0.46 1.14 -0.13 -0.69 0.00 0.00 174.62 175.88 1v5n s ARG 44 N -1.19 4.38 -0.08 4.92 1.81 -1.26 -0.91 118.95 126.61 1v5n s ARG 44 Ca 0.15 1.59 -0.07 0.00 -1.72 0.00 0.00 55.73 55.68 1v5n s ARG 44 Cb -0.11 -3.54 0.03 0.00 -0.45 0.00 0.00 34.95 30.87 1v5n s ARG 44 CO 0.05 -0.40 0.22 0.08 -0.68 0.00 0.00 175.30 174.57 1v5n s VAL 45 N 2.10 -0.01 0.02 3.52 1.01 -1.26 -4.91 120.40 120.87 1v5n s VAL 45 Ca 0.54 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1v5n s VAL 45 Cb -0.23 -0.31 -0.18 0.00 0.00 0.00 0.00 36.38 35.66 1v5n s VAL 45 CO 0.21 0.01 1.39 -0.61 0.00 0.00 0.00 175.10 176.10 1v5n h GLN 46 N 6.10 -0.14 -2.83 2.72 4.15 -1.94 0.36 115.11 123.53 1v5n h GLN 46 Ca -0.29 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.03 1v5n h GLN 46 Cb 1.19 0.03 -0.21 0.00 0.21 0.00 0.00 27.48 28.70 1v5n h GLN 46 CO 0.38 0.17 -0.20 0.08 -1.93 0.00 0.00 178.83 177.33 1v5n s VAL 47 N -4.90 0.04 0.18 2.39 1.01 -1.26 -3.89 120.40 113.96 1v5n s VAL 47 Ca -0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1v5n s VAL 47 Cb 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1v5n s VAL 47 CO 0.63 -0.17 0.44 0.00 0.00 0.00 0.00 175.10 175.99 1v5n n TYR 48 N 1.51 -1.52 -3.89 5.22 4.11 -1.25 -5.00 117.16 116.34 1v5n n TYR 48 Ca -0.20 -0.88 -0.30 0.00 -0.00 0.00 0.00 57.90 56.53 1v5n n TYR 48 Cb 0.56 0.44 -0.16 0.00 -0.00 0.00 0.00 39.34 40.18 1v5n n TYR 48 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1v5n s THR 49 N -2.48 1.33 0.41 -3.48 2.01 -1.26 -3.68 115.64 108.49 1v5n s THR 49 Ca 0.09 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 1v5n s THR 49 Cb -0.02 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 70.71 1v5n s THR 49 CO 0.05 -0.18 1.35 0.00 -0.69 0.00 0.00 174.62 175.15 1v5n n ASP 51 N 0.14 3.67 0.05 0.00 8.00 -1.26 -3.55 116.55 123.60 1v5n n ASP 51 Ca 0.03 -3.73 0.00 0.00 0.71 0.00 0.00 54.79 51.81 1v5n n ASP 51 Cb 0.42 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1v5n n LYS 52 N -1.09 0.00 0.00 -1.24 4.81 -1.26 -4.85 118.16 114.53 1v5n n LYS 52 Ca 0.47 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.99 1v5n n LYS 52 Cb 1.23 -0.34 0.01 0.00 0.02 0.00 0.00 35.03 35.95 1v5n n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v5n n GLU 54 N 0.01 -4.13 -4.47 0.00 1.02 -1.23 -5.04 120.64 106.79 1v5n n GLU 54 Ca 0.07 0.46 -0.22 0.00 -0.02 0.00 0.00 57.16 57.44 1v5n n GLU 54 Cb 0.35 -4.35 -0.11 0.00 -0.02 0.00 0.00 31.44 27.31 1v5n n GLU 54 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v5n s GLU 55 N -5.41 1.66 -0.18 3.49 0.41 -1.25 -4.91 118.70 112.51 1v5n s GLU 55 Ca 0.22 -1.88 -0.04 0.00 -0.41 0.00 0.00 54.97 52.85 1v5n s GLU 55 Cb -0.10 -1.14 -0.02 0.00 -1.78 0.00 0.00 34.13 31.09 1v5n s GLU 55 CO 0.40 -0.05 -0.03 -2.00 -0.49 0.00 0.00 175.26 173.09 1v5n s GLU 56 N -3.78 3.61 0.56 1.61 2.12 -1.26 0.76 118.70 122.33 1v5n s GLU 56 Ca 0.33 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.16 1v5n s GLU 56 Cb 0.06 -2.97 0.10 0.00 0.26 0.00 0.00 34.13 31.59 1v5n s GLU 56 CO 0.14 0.12 0.77 0.41 -0.54 0.00 0.00 175.26 176.16 1v5n n GLY 57 N 3.89 1.23 3.54 -1.50 0.00 -1.24 -4.93 105.19 106.17 1v5n n GLY 57 Ca -0.17 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 1v5n n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5n s THR 58 N -2.34 0.00 -1.10 2.61 -4.23 -1.26 -3.79 115.64 105.54 1v5n s THR 58 Ca 0.54 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1v5n s THR 58 Cb -0.04 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1v5n s THR 58 CO 0.35 -0.01 0.00 -0.38 -0.54 0.00 0.00 174.62 174.04 1v5n n ILE 59 N 2.03 -0.27 -3.65 2.99 2.08 0.12 -4.84 119.36 117.83 1v5n n ILE 59 Ca -0.16 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.14 1v5n n ILE 59 Cb 0.56 -1.36 -0.07 0.00 -0.75 0.00 0.00 39.64 38.02 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1v5n s TRP 60 N -2.27 -0.03 -0.30 1.39 0.23 -1.20 -4.68 118.94 112.08 1v5n s TRP 60 Ca 0.00 0.07 -0.18 0.00 -2.03 0.00 0.00 56.10 53.96 1v5n s TRP 60 Cb 0.00 0.39 0.19 0.00 0.03 0.00 0.00 33.47 34.07 1v5n s TRP 60 CO 0.00 -0.01 1.23 -1.54 0.96 0.00 0.00 176.95 177.59 1v5n s SER 61 N 0.24 -0.14 -0.65 2.95 1.04 -0.09 -4.68 113.70 112.36 1v5n s SER 61 Ca 0.04 0.16 -0.26 0.00 0.48 0.00 0.00 55.95 56.37 1v5n s SER 61 Cb -0.04 1.15 -0.03 0.00 0.10 0.00 0.00 66.02 67.20 1v5n s SER 61 CO -0.15 -0.03 1.89 -0.31 0.98 0.00 0.00 173.24 175.63 1v5n s TYR 62 N 2.38 1.66 -0.02 5.02 2.02 -0.88 0.26 117.35 127.80 1v5n s TYR 62 Ca -0.02 0.79 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 1v5n s TYR 62 Cb -0.04 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.42 1v5n s TYR 62 CO -0.14 -2.23 0.10 -1.58 -1.57 0.00 0.00 175.55 170.14 1v5n s HIS 63 N 9.34 3.37 -0.21 2.71 5.65 -0.95 -2.22 115.29 132.98 1v5n s HIS 63 Ca 0.68 0.27 -0.03 0.00 0.25 0.00 0.00 55.06 56.24 1v5n s HIS 63 Cb -0.12 -1.78 -0.01 0.00 -1.18 0.00 0.00 32.58 29.49 1v5n s HIS 63 CO 0.17 0.59 -0.06 0.00 -0.65 0.00 0.00 174.74 174.79 1v5n n ASP 65 N 4.65 2.41 0.00 0.00 2.03 -1.26 -0.24 116.55 124.14 1v5n n ASP 65 Ca -0.18 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.55 1v5n n ASP 65 Cb 0.51 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1v5n n GLU 66 N 0.66 0.43 -0.37 -0.67 2.13 -1.26 -4.88 120.64 116.67 1v5n n GLU 66 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1v5n n GLU 66 Cb 0.39 -0.63 0.03 0.00 0.27 0.00 0.00 31.44 31.51 1v5n n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1v5n n ASP 68 N -0.35 0.75 -4.59 0.00 2.03 0.67 -4.86 116.55 110.20 1v5n n ASP 68 Ca 0.04 -1.08 -0.39 0.00 0.52 0.00 0.00 54.79 53.88 1v5n n ASP 68 Cb 0.67 -1.34 -0.09 0.00 -0.72 0.00 0.00 41.12 39.64 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1v5n s PHE 69 N -4.14 3.23 0.06 -0.67 5.36 -1.25 -4.80 117.98 115.77 1v5n s PHE 69 Ca 0.02 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1v5n s PHE 69 Cb -0.01 -2.59 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1v5n s PHE 69 CO 0.84 -0.29 0.13 -0.51 -1.46 0.00 0.00 175.22 173.93 1v5n s ASP 70 N 1.68 5.86 0.36 6.13 1.01 -1.23 -2.28 116.67 128.20 1v5n s ASP 70 Ca 0.13 0.12 -0.08 0.00 0.71 0.00 0.00 52.55 53.43 1v5n s ASP 70 Cb -0.16 -1.68 0.03 0.00 1.01 0.00 0.00 42.92 42.11 1v5n s ASP 70 CO 0.11 0.19 0.61 -0.76 0.21 0.00 0.00 175.17 175.53 1v5n s LEU 71 N -2.32 0.58 0.29 1.23 1.43 -0.94 -4.09 118.68 114.86 1v5n s LEU 71 Ca 0.30 -1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1v5n s LEU 71 Cb -0.12 2.06 -0.04 0.00 0.03 0.00 0.00 46.19 48.12 1v5n s LEU 71 CO 0.23 -1.47 0.51 -1.00 0.23 0.00 0.00 176.35 174.86 1v5n s HIS 72 N -2.74 3.49 0.17 0.29 3.76 -1.26 -2.06 115.29 116.94 1v5n s HIS 72 Ca 0.24 0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 55.47 1v5n s HIS 72 Cb -0.02 -1.95 0.07 0.00 1.11 0.00 0.00 32.58 31.78 1v5n s HIS 72 CO 0.17 0.20 1.77 0.00 -0.85 0.00 0.00 174.74 176.02 1v5n h ALA 73 N 1.34 0.74 0.05 -1.40 0.00 -1.98 -1.45 119.26 116.56 1v5n h ALA 73 Ca -0.49 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 1v5n h ALA 73 Cb 1.20 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.78 1v5n h ALA 73 CO 0.64 0.29 -0.93 1.57 0.00 0.00 0.00 179.25 180.82 1v5n h LYS 74 N 0.78 0.55 -0.34 0.00 2.10 -1.95 -2.77 116.57 114.93 1v5n h LYS 74 Ca 0.20 -0.65 0.06 0.00 -2.00 0.00 0.00 60.65 58.26 1v5n h LYS 74 Cb 0.09 0.20 -0.06 0.00 -0.90 0.00 0.00 32.23 31.57 1v5n h LYS 74 CO -0.03 1.26 -0.00 0.00 -2.00 0.00 0.00 179.45 178.68 1v5n h ALA 76 N 1.30 0.32 0.82 0.00 0.00 -1.36 -3.28 119.26 117.06 1v5n h ALA 76 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1v5n h ALA 76 Cb 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1v5n h ALA 76 CO -0.28 -0.02 -0.41 -0.07 0.00 0.00 0.00 179.25 178.47 1v5n h LEU 77 N 0.22 -0.98 -8.46 0.00 3.38 -1.14 -3.45 115.31 104.87 1v5n h LEU 77 Ca 0.08 0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.72 1v5n h LEU 77 Cb 0.28 0.26 -0.19 0.00 0.09 0.00 0.00 40.66 41.10 1v5n h LEU 77 CO 0.00 -0.68 -0.75 0.21 0.09 0.00 0.00 178.44 177.31 1v5n s ASN 78 N -3.69 1.59 -0.49 -0.43 2.47 0.10 -5.10 114.94 109.40 1v5n s ASN 78 Ca -0.17 -0.76 -0.17 0.00 0.42 0.00 0.00 52.86 52.19 1v5n s ASN 78 Cb 0.02 -0.02 0.08 0.00 -1.45 0.00 0.00 41.25 39.87 1v5n s ASN 78 CO 0.50 -0.19 0.48 -0.70 -3.72 0.00 0.00 177.10 173.47 1v5n s GLU 79 N -2.47 3.02 -0.30 0.43 2.12 -1.26 -3.84 118.70 116.41 1v5n s GLU 79 Ca 0.04 -1.26 -0.17 0.00 0.36 0.00 0.00 54.97 53.93 1v5n s GLU 79 Cb -0.05 -4.15 0.19 0.00 0.26 0.00 0.00 34.13 30.38 1v5n s GLU 79 CO 0.01 -1.13 1.17 0.34 -0.54 0.00 0.00 175.26 175.10 1v5n s ASP 80 N 2.77 -0.25 -0.62 -1.70 -1.08 -1.26 -5.10 116.67 109.43 1v5n s ASP 80 Ca 0.07 0.36 0.05 0.00 -0.52 0.00 0.00 52.55 52.51 1v5n s ASP 80 Cb -0.23 1.22 0.19 0.00 -1.46 0.00 0.00 42.92 42.63 1v5n s ASP 80 CO 0.08 -0.05 0.52 1.07 0.52 0.00 0.00 175.17 177.31 1v5n n THR 81 N 4.14 1.11 -1.45 1.71 5.66 -1.26 -4.92 114.28 119.28 1v5n n THR 81 Ca -0.12 -4.62 -0.40 0.00 -3.05 0.00 0.00 64.05 55.87 1v5n n THR 81 Cb 0.55 -2.06 0.02 0.00 -1.55 0.00 0.00 70.33 67.30 1v5n n THR 81 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1v5n n LYS 82 N 1.85 0.53 -0.13 1.09 0.00 -1.26 -4.94 118.16 115.29 1v5n n LYS 82 Ca 0.24 0.20 -0.25 0.00 -0.00 0.00 0.00 58.31 58.50 1v5n n LYS 82 Cb 0.40 -1.59 -0.11 0.00 -0.00 0.00 0.00 35.03 33.73 1v5n n LYS 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1v5n n GLU 83 N 0.32 0.61 -0.04 -1.58 -0.00 -1.26 -4.59 120.64 114.10 1v5n n GLU 83 Ca 0.11 0.21 -0.11 0.00 -0.00 0.00 0.00 57.16 57.37 1v5n n GLU 83 Cb 0.44 -1.50 -0.05 0.00 -0.00 0.00 0.00 31.44 30.34 1v5n n GLU 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1v5n h SER 84 N -0.55 -1.28 0.00 -1.84 0.02 -2.07 -3.48 113.55 104.34 1v5n h SER 84 Ca -0.65 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1v5n h SER 84 Cb 1.74 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.82 1v5n h SER 84 CO -0.28 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.63 1v5n n GLY 85 N -1.43 0.41 3.77 -3.77 0.00 -1.26 -5.03 105.19 97.88 1v5n n GLY 85 Ca -0.03 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1v5n n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5n s PRO 86 N 0.00 2.85 -0.03 1.61 0.04 -1.26 -5.07 135.00 133.15 1v5n s PRO 86 Ca 0.00 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1v5n s PRO 86 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1v5n s PRO 86 CO 0.00 -1.21 0.06 -1.12 0.04 0.00 0.00 177.00 174.76 1v5n s SER 87 N -2.51 -0.01 -0.12 6.66 0.01 -1.26 -5.14 113.70 111.33 1v5n s SER 87 Ca 0.67 0.11 -0.01 0.00 1.31 0.00 0.00 55.95 58.03 1v5n s SER 87 Cb -0.21 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.10 1v5n s SER 87 CO 0.40 -0.08 -0.06 -0.55 0.41 0.00 0.00 173.24 173.36 1v5n s SER 88 N 0.63 2.23 0.00 2.44 0.15 -1.26 -5.33 113.70 112.56 1v5n s SER 88 Ca -0.05 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1v5n s SER 88 Cb -0.07 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1v5n s SER 88 CO -0.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.88