#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5n h SER 2 N 0.00 -1.27 -3.90 1.61 0.02 -2.10 -3.43 113.55 104.48 1v5n h SER 2 Ca 0.00 0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.54 1v5n h SER 2 Cb 0.00 0.44 0.20 0.00 0.14 0.00 0.00 62.40 63.19 1v5n h SER 2 CO 0.00 -0.54 -0.10 -0.24 -1.14 0.00 0.00 176.83 174.81 1v5n n SER 3 N -5.06 -0.62 0.00 3.07 2.88 -1.26 -4.83 113.62 107.80 1v5n n SER 3 Ca -0.09 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1v5n n SER 3 Cb 0.38 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1v5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5n n GLY 4 N 0.80 0.33 3.27 0.46 0.00 -1.26 -5.06 105.19 103.72 1v5n n GLY 4 Ca 0.10 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1v5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5n s SER 5 N 0.00 6.69 -0.30 1.61 0.15 -1.26 -4.94 113.70 115.65 1v5n s SER 5 Ca 0.00 -3.26 -0.16 0.00 0.70 0.00 0.00 55.95 53.23 1v5n s SER 5 Cb 0.00 -2.12 0.18 0.00 -1.71 0.00 0.00 66.02 62.37 1v5n s SER 5 CO 0.00 -0.37 1.09 -0.55 1.20 0.00 0.00 173.24 174.61 1v5n s SER 6 N 1.25 -0.41 0.11 5.45 0.15 -1.26 -5.18 113.70 113.80 1v5n s SER 6 Ca 0.25 0.51 -0.25 0.00 0.70 0.00 0.00 55.95 57.15 1v5n s SER 6 Cb -0.11 1.44 0.08 0.00 -1.71 0.00 0.00 66.02 65.73 1v5n s SER 6 CO -0.09 -0.08 0.79 -0.83 1.20 0.00 0.00 173.24 174.23 1v5n s GLY 7 N 2.40 -0.44 0.63 9.45 0.00 -1.26 -5.18 107.32 112.92 1v5n s GLY 7 Ca -0.01 0.56 0.05 0.00 0.00 0.00 0.00 44.72 45.31 1v5n s GLY 7 CO -0.16 0.18 0.87 -0.51 0.00 0.00 0.00 173.10 173.47 1v5n s THR 8 N -3.44 2.19 -1.90 0.90 -4.23 -1.26 -4.97 115.64 102.92 1v5n s THR 8 Ca 0.05 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1v5n s THR 8 Cb -0.02 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1v5n s THR 8 CO -0.07 0.00 0.92 -0.62 -0.54 0.00 0.00 174.62 174.31 1v5n n GLU 9 N -2.48 0.97 -3.30 3.99 4.71 -1.26 -4.46 120.64 118.81 1v5n n GLU 9 Ca 0.15 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.86 1v5n n GLU 9 Cb 0.61 -1.05 -0.07 0.00 -1.01 0.00 0.00 31.44 29.92 1v5n n GLU 9 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1v5n s GLU 10 N -1.90 3.03 -0.92 3.49 2.12 -1.26 -4.44 118.70 118.82 1v5n s GLU 10 Ca 0.00 -1.18 -0.02 0.00 0.36 0.00 0.00 54.97 54.12 1v5n s GLU 10 Cb 0.00 -4.12 -0.03 0.00 0.26 0.00 0.00 34.13 30.24 1v5n s GLU 10 CO 0.00 -1.10 0.79 0.54 -0.54 0.00 0.00 175.26 174.95 1v5n n ARG 11 N 5.56 -3.63 -1.31 4.30 1.74 -1.26 -4.82 116.66 117.24 1v5n n ARG 11 Ca -0.10 0.70 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 1v5n n ARG 11 Cb 0.44 -5.16 -0.09 0.00 -1.02 0.00 0.00 32.46 26.64 1v5n n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1v5n n LEU 12 N -3.24 2.53 0.07 0.55 4.32 -1.26 -4.74 117.00 115.23 1v5n n LEU 12 Ca -0.15 -2.54 -0.04 0.00 -0.02 0.00 0.00 56.01 53.26 1v5n n LEU 12 Cb 0.62 -1.24 -0.02 0.00 -1.62 0.00 0.00 43.42 41.16 1v5n n LEU 12 CO 0.49 -1.79 0.51 0.11 -1.22 0.00 0.00 177.39 175.49 1v5n h LYS 13 N 9.61 -0.21 -0.39 3.23 1.57 -1.93 0.59 116.57 129.04 1v5n h LYS 13 Ca 0.25 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1v5n h LYS 13 Cb 0.81 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 1v5n h LYS 13 CO 1.61 -0.14 -0.52 1.49 -0.57 0.00 0.00 179.45 181.32 1v5n h GLU 14 N -0.22 -0.38 0.18 3.15 4.81 -2.00 0.14 114.58 120.26 1v5n h GLU 14 Ca -0.02 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1v5n h GLU 14 Cb 0.18 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1v5n h GLU 14 CO -0.00 -0.25 -0.23 0.82 -0.73 0.00 0.00 179.01 178.62 1v5n h ILE 15 N -0.39 0.00 -0.97 2.32 2.04 -1.94 -2.44 117.51 116.13 1v5n h ILE 15 Ca 0.09 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.24 1v5n h ILE 15 Cb 0.60 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.50 1v5n h ILE 15 CO -0.58 0.00 0.13 -0.33 0.00 0.00 0.00 178.15 177.37 1v5n h GLU 16 N -0.42 0.04 -0.95 2.37 4.39 0.46 0.96 114.58 121.44 1v5n h GLU 16 Ca -0.02 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.83 1v5n h GLU 16 Cb 0.37 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.92 1v5n h GLU 16 CO -0.05 0.02 0.55 0.00 -1.16 0.00 0.00 179.01 178.37 1v5n h ALA 17 N 1.95 1.48 -0.17 3.43 0.00 -0.26 -1.64 119.26 124.05 1v5n h ALA 17 Ca 0.63 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.65 1v5n h ALA 17 Cb 1.36 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1v5n h ALA 17 CO -0.86 0.01 -0.11 0.87 0.00 0.00 0.00 179.25 179.16 1v5n h LYS 18 N 0.77 -0.10 -0.15 0.00 1.57 0.13 -2.57 116.57 116.21 1v5n h LYS 18 Ca 0.51 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.34 1v5n h LYS 18 Cb 0.70 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1v5n h LYS 18 CO -0.34 -0.07 -0.45 1.88 -0.57 0.00 0.00 179.45 179.89 1v5n h TYR 19 N -0.11 -1.32 -1.11 -1.35 0.05 -1.23 0.12 116.97 112.02 1v5n h TYR 19 Ca 0.10 0.05 0.31 0.00 0.05 0.00 0.00 58.73 59.24 1v5n h TYR 19 Cb 0.26 0.60 -0.08 0.00 1.01 0.00 0.00 36.73 38.52 1v5n h TYR 19 CO -0.25 -0.49 0.75 -0.44 -1.05 0.00 0.00 178.16 176.67 1v5n h ASP 20 N -0.50 0.27 0.53 3.88 3.32 -1.35 0.92 116.42 123.48 1v5n h ASP 20 Ca 0.07 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1v5n h ASP 20 Cb 0.64 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1v5n h ASP 20 CO -0.42 0.03 -0.48 -0.08 -1.72 0.00 0.00 179.24 176.57 1v5n h GLU 21 N 0.23 0.00 -0.01 3.56 4.81 -0.40 -2.65 114.58 120.11 1v5n h GLU 21 Ca 0.60 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.63 1v5n h GLU 21 Cb 1.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 1v5n h GLU 21 CO -0.20 0.48 -0.87 0.82 -0.73 0.00 0.00 179.01 178.52 1v5n h ILE 22 N 0.00 1.45 -0.95 2.32 2.04 0.15 -3.19 117.51 119.33 1v5n h ILE 22 Ca -0.00 -2.48 -0.52 0.00 1.00 0.00 0.00 64.86 62.86 1v5n h ILE 22 Cb 0.88 2.39 -0.29 0.00 -0.74 0.00 0.00 36.82 39.05 1v5n h ILE 22 CO 0.06 0.73 0.62 0.00 0.00 0.00 0.00 178.15 179.56 1v5n n ALA 23 N -2.49 5.63 -0.25 1.87 0.00 -0.76 -4.59 120.51 119.92 1v5n n ALA 23 Ca -0.05 -3.02 -0.05 0.00 0.00 0.00 0.00 53.44 50.32 1v5n n ALA 23 Cb 0.79 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.86 1v5n n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1v5n h LYS 24 N 1.17 0.93 0.00 0.00 1.57 -1.47 -2.89 116.57 115.90 1v5n h LYS 24 Ca 0.60 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 59.11 1v5n h LYS 24 Cb 2.44 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 34.51 1v5n h LYS 24 CO 1.13 0.64 -1.39 0.38 -0.57 0.00 0.00 179.45 179.64 1v5n h ASP 25 N 0.95 0.00 -2.35 0.86 2.03 -1.87 -3.46 116.42 112.57 1v5n h ASP 25 Ca 0.25 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 56.00 1v5n h ASP 25 Cb -0.07 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.47 1v5n h ASP 25 CO -0.05 0.72 1.06 0.79 -1.03 0.00 0.00 179.24 180.73 1v5n n TRP 26 N -2.99 2.50 -1.08 4.15 7.02 -1.09 -4.97 117.44 120.97 1v5n n TRP 26 Ca -0.10 -0.05 -0.30 0.00 -1.02 0.00 0.00 57.50 56.02 1v5n n TRP 26 Cb 0.90 -2.69 0.24 0.00 -2.42 0.00 0.00 31.31 27.34 1v5n n TRP 26 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1v5n s PRO 27 N 2.74 -1.26 -0.14 -0.99 0.04 -1.26 -4.97 135.00 129.15 1v5n s PRO 27 Ca 0.84 -0.08 0.11 0.00 0.04 0.00 0.00 61.00 61.91 1v5n s PRO 27 Cb -0.56 -1.59 -0.23 0.00 0.04 0.00 0.00 34.50 32.15 1v5n s PRO 27 CO 0.40 -3.74 0.30 1.63 0.04 0.00 0.00 177.00 175.64 1v5n n LYS 28 N -4.77 0.67 -3.94 4.56 4.76 -1.26 -4.67 118.16 113.51 1v5n n LYS 28 Ca 0.13 0.16 -0.28 0.00 -2.87 0.00 0.00 58.31 55.45 1v5n n LYS 28 Cb 0.60 -1.65 -0.17 0.00 -1.84 0.00 0.00 35.03 31.97 1v5n n LYS 28 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1v5n s LYS 29 N -2.54 1.73 0.12 1.97 -0.14 -1.26 -2.27 119.74 117.36 1v5n s LYS 29 Ca -0.12 -0.39 0.07 0.00 -1.36 0.00 0.00 55.97 54.17 1v5n s LYS 29 Cb 0.07 -1.81 -0.04 0.00 -1.68 0.00 0.00 37.83 34.37 1v5n s LYS 29 CO 0.80 -0.29 -0.06 0.54 -0.76 0.00 0.00 175.35 175.58 1v5n s VAL 30 N 1.63 3.54 -0.70 3.17 0.11 -1.06 -4.93 120.40 122.16 1v5n s VAL 30 Ca 0.04 -1.29 -0.06 0.00 -2.93 0.00 0.00 61.98 57.74 1v5n s VAL 30 Cb -0.13 -2.70 0.18 0.00 -1.53 0.00 0.00 36.38 32.20 1v5n s VAL 30 CO -0.09 0.04 0.55 -0.75 -3.33 0.00 0.00 175.10 171.52 1v5n s LYS 31 N -2.45 2.89 0.63 1.54 2.47 -1.26 -1.22 119.74 122.34 1v5n s LYS 31 Ca 0.24 -2.56 -0.15 0.00 -1.56 0.00 0.00 55.97 51.94 1v5n s LYS 31 Cb -0.11 -3.93 -0.02 0.00 -1.46 0.00 0.00 37.83 32.32 1v5n s LYS 31 CO 0.16 -1.21 1.08 -1.58 0.16 0.00 0.00 175.35 173.95 1v5n s HIS 32 N -0.09 2.86 -0.07 4.03 5.65 -1.26 -4.87 115.29 121.54 1v5n s HIS 32 Ca 0.18 1.52 -0.27 0.00 0.25 0.00 0.00 55.06 56.74 1v5n s HIS 32 Cb -0.17 -3.05 -0.22 0.00 -1.18 0.00 0.00 32.58 27.96 1v5n s HIS 32 CO -0.05 -1.34 1.05 -0.24 -0.65 0.00 0.00 174.74 173.51 1v5n h VAL 33 N 0.14 1.49 0.00 0.89 3.04 -1.95 0.71 116.25 120.58 1v5n h VAL 33 Ca -0.46 -1.58 -0.02 0.00 -1.01 0.00 0.00 66.70 63.62 1v5n h VAL 33 Cb 1.23 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 33.06 1v5n h VAL 33 CO 0.56 0.40 -0.09 -0.07 -1.01 0.00 0.00 177.57 177.36 1v5n h LEU 34 N -0.70 0.00 -2.98 3.16 3.38 -1.99 -2.48 115.31 113.70 1v5n h LEU 34 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v5n h LEU 34 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1v5n h LEU 34 CO 0.00 0.09 -0.46 1.57 0.09 0.00 0.00 178.44 179.73 1v5n n HIS 35 N -3.67 0.00 -0.36 1.13 -0.00 -1.21 -4.80 115.22 106.31 1v5n n HIS 35 Ca -0.02 -1.28 0.26 0.00 0.46 0.00 0.00 57.72 57.14 1v5n n HIS 35 Cb 0.20 -0.22 0.53 0.00 -0.12 0.00 0.00 29.99 30.39 1v5n n HIS 35 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1v5n h GLU 36 N 0.80 0.31 -1.23 1.57 9.09 0.93 0.16 114.58 126.21 1v5n h GLU 36 Ca -0.02 -0.02 0.42 0.00 0.05 0.00 0.00 59.36 59.79 1v5n h GLU 36 Cb 1.10 -0.07 -0.12 0.00 -1.65 0.00 0.00 28.75 28.00 1v5n h GLU 36 CO 0.01 0.21 0.79 -1.91 0.05 0.00 0.00 179.01 178.16 1v5n n GLU 37 N -4.72 -0.03 -4.09 1.06 2.13 -1.26 -4.53 120.64 109.19 1v5n n GLU 37 Ca 0.29 1.09 -0.12 0.00 0.66 0.00 0.00 57.16 59.08 1v5n n GLU 37 Cb 1.02 -2.16 -0.06 0.00 0.27 0.00 0.00 31.44 30.50 1v5n n GLU 37 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1v5n s HIS 38 N -5.02 0.83 -0.29 4.31 3.76 0.04 -5.14 115.29 113.78 1v5n s HIS 38 Ca -0.06 -1.10 -0.06 0.00 -0.15 0.00 0.00 55.06 53.68 1v5n s HIS 38 Cb 0.27 -0.11 0.01 0.00 1.11 0.00 0.00 32.58 33.86 1v5n s HIS 38 CO 0.72 -0.95 0.06 -1.21 -0.85 0.00 0.00 174.74 172.51 1v5n s GLU 39 N -3.72 3.07 1.27 1.40 2.02 -1.26 -4.40 118.70 117.08 1v5n s GLU 39 Ca 0.30 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.24 1v5n s GLU 39 Cb 0.01 -3.30 0.29 0.00 0.10 0.00 0.00 34.13 31.23 1v5n s GLU 39 CO 0.14 -0.43 0.71 1.28 0.02 0.00 0.00 175.26 176.99 1v5n n LEU 40 N 4.83 -1.35 -3.68 1.80 7.99 -0.35 -4.63 117.00 121.61 1v5n n LEU 40 Ca -0.15 -0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 55.10 1v5n n LEU 40 Cb 0.48 -1.05 -0.16 0.00 -0.11 0.00 0.00 43.42 42.58 1v5n n LEU 40 CO 0.31 -3.77 -0.34 -0.70 -1.51 0.00 0.00 177.39 171.37 1v5n s GLU 41 N -4.36 0.54 -0.69 3.23 2.12 0.09 -2.57 118.70 117.06 1v5n s GLU 41 Ca 0.62 -0.68 -0.15 0.00 0.36 0.00 0.00 54.97 55.13 1v5n s GLU 41 Cb -0.16 -1.84 -0.19 0.00 0.26 0.00 0.00 34.13 32.20 1v5n s GLU 41 CO 0.58 -0.86 1.70 -0.11 -0.54 0.00 0.00 175.26 176.03 1v5n n LEU 42 N 5.03 -0.33 -4.82 2.70 7.94 -0.96 -2.40 117.00 124.16 1v5n n LEU 42 Ca -0.06 -0.10 -0.35 0.00 -1.11 0.00 0.00 56.01 54.39 1v5n n LEU 42 Cb 0.44 -0.52 -0.07 0.00 0.53 0.00 0.00 43.42 43.80 1v5n n LEU 42 CO 0.10 -0.71 -0.22 -0.89 -1.11 0.00 0.00 177.39 174.56 1v5n s THR 43 N 3.50 5.07 0.11 1.96 2.01 0.32 -4.87 115.64 123.74 1v5n s THR 43 Ca 0.93 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.58 1v5n s THR 43 Cb -0.75 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 1v5n s THR 43 CO 0.36 0.54 1.15 -0.13 -0.69 0.00 0.00 174.62 175.85 1v5n s ARG 44 N -1.21 4.50 -0.18 4.92 1.81 -1.26 -0.35 118.95 127.18 1v5n s ARG 44 Ca 0.17 1.74 -0.15 0.00 -1.72 0.00 0.00 55.73 55.77 1v5n s ARG 44 Cb -0.12 -3.32 0.05 0.00 -0.45 0.00 0.00 34.95 31.11 1v5n s ARG 44 CO 0.07 -0.12 0.47 0.08 -0.68 0.00 0.00 175.30 175.12 1v5n s VAL 45 N 0.51 -0.00 -0.01 3.52 1.01 -1.26 -4.89 120.40 119.28 1v5n s VAL 45 Ca 0.55 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1v5n s VAL 45 Cb -0.29 -0.66 -0.19 0.00 0.00 0.00 0.00 36.38 35.24 1v5n s VAL 45 CO 0.32 0.00 1.32 -0.61 0.00 0.00 0.00 175.10 176.14 1v5n h GLN 46 N 5.64 0.03 -2.75 2.72 4.15 -1.93 1.56 115.11 124.52 1v5n h GLN 46 Ca -0.28 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.02 1v5n h GLN 46 Cb 1.18 -0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.66 1v5n h GLN 46 CO 0.22 0.46 -0.17 0.08 -1.93 0.00 0.00 178.83 177.49 1v5n s VAL 47 N -4.46 0.03 0.16 2.39 1.01 -1.26 -3.72 120.40 114.56 1v5n s VAL 47 Ca -0.15 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 1v5n s VAL 47 Cb 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1v5n s VAL 47 CO 0.68 -0.15 0.46 0.00 0.00 0.00 0.00 175.10 176.09 1v5n n TYR 48 N 1.57 -1.43 -3.88 5.22 4.11 -1.23 -4.99 117.16 116.52 1v5n n TYR 48 Ca -0.19 -0.84 -0.30 0.00 -0.00 0.00 0.00 57.90 56.56 1v5n n TYR 48 Cb 0.56 0.42 -0.16 0.00 -0.00 0.00 0.00 39.34 40.17 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 -2.45 1.35 0.55 -3.48 2.01 -1.26 -3.64 115.64 108.72 1v5n s THR 49 Ca 0.10 -1.27 -0.21 0.00 0.31 0.00 0.00 61.69 60.61 1v5n s THR 49 Cb -0.02 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 1v5n s THR 49 CO 0.05 -0.27 1.31 0.00 -0.69 0.00 0.00 174.62 175.02 1v5n n ASP 51 N -1.11 2.87 0.04 0.00 2.03 -1.25 -3.71 116.55 115.42 1v5n n ASP 51 Ca 0.11 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.66 1v5n n ASP 51 Cb 0.46 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1v5n n ASP 51 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v5n n LYS 52 N -1.12 0.00 0.00 -0.67 4.81 -1.26 -4.85 118.16 115.07 1v5n n LYS 52 Ca 0.40 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.92 1v5n n LYS 52 Cb 1.16 -0.33 0.05 0.00 0.02 0.00 0.00 35.03 35.93 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 0.64 -5.79 -4.66 0.00 1.02 -1.24 -5.03 120.64 105.58 1v5n n GLU 54 Ca 0.09 0.63 -0.30 0.00 -0.02 0.00 0.00 57.16 57.56 1v5n n GLU 54 Cb 0.39 -5.06 -0.09 0.00 -0.02 0.00 0.00 31.44 26.66 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 -5.75 2.04 -0.17 3.49 0.41 -1.26 -4.91 118.70 112.56 1v5n s GLU 55 Ca 0.33 -2.24 0.00 0.00 -0.41 0.00 0.00 54.97 52.66 1v5n s GLU 55 Cb -0.15 -1.42 0.01 0.00 -1.78 0.00 0.00 34.13 30.79 1v5n s GLU 55 CO 0.55 -0.25 -0.16 -2.00 -0.49 0.00 0.00 175.26 172.91 1v5n s GLU 56 N -3.80 3.14 0.70 1.61 2.12 -1.26 0.77 118.70 121.98 1v5n s GLU 56 Ca 0.20 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1v5n s GLU 56 Cb 0.05 -2.63 0.12 0.00 0.26 0.00 0.00 34.13 31.93 1v5n s GLU 56 CO 0.10 -0.09 0.96 0.20 -0.54 0.00 0.00 175.26 175.89 1v5n s GLY 57 N 1.06 1.76 -0.20 -1.50 0.00 -1.24 -4.91 107.32 102.30 1v5n s GLY 57 Ca -0.01 -1.76 -0.19 0.00 0.00 0.00 0.00 44.72 42.76 1v5n s GLY 57 CO -0.05 -1.22 0.54 -0.51 0.00 0.00 0.00 173.10 171.86 1v5n s THR 58 N -3.07 0.00 -1.39 0.90 -4.23 -1.26 -3.53 115.64 103.05 1v5n s THR 58 Ca 0.65 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1v5n s THR 58 Cb -0.06 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1v5n s THR 58 CO 0.43 -0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 174.13 1v5n n ILE 59 N 2.72 -0.35 -3.65 2.99 -0.00 0.53 -4.86 119.36 116.73 1v5n n ILE 59 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.61 1v5n n ILE 59 Cb 0.56 -1.74 -0.07 0.00 -0.00 0.00 0.00 39.64 38.40 1v5n n ILE 59 CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1v5n s TRP 60 N -2.48 -0.06 -0.30 1.39 0.23 -1.13 -4.63 118.94 111.96 1v5n s TRP 60 Ca 0.00 0.13 -0.18 0.00 -2.03 0.00 0.00 56.10 54.02 1v5n s TRP 60 Cb 0.00 0.31 0.19 0.00 0.03 0.00 0.00 33.47 34.00 1v5n s TRP 60 CO 0.00 -0.03 1.24 -1.54 0.96 0.00 0.00 176.95 177.58 1v5n s SER 61 N 0.43 -0.14 -0.65 2.95 1.04 0.52 -4.66 113.70 113.20 1v5n s SER 61 Ca 0.01 0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 1v5n s SER 61 Cb -0.04 1.15 -0.02 0.00 0.10 0.00 0.00 66.02 67.22 1v5n s SER 61 CO -0.13 -0.03 1.80 -0.31 0.98 0.00 0.00 173.24 175.55 1v5n s TYR 62 N 2.26 1.74 0.06 5.02 2.02 -0.86 0.12 117.35 127.72 1v5n s TYR 62 Ca -0.01 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 1v5n s TYR 62 Cb -0.03 -4.15 -0.04 0.00 -0.40 0.00 0.00 41.96 37.34 1v5n s TYR 62 CO -0.15 -2.24 0.14 -1.58 -1.57 0.00 0.00 175.55 170.15 1v5n s HIS 63 N 8.78 3.35 -0.17 2.71 5.65 -1.01 -2.33 115.29 132.26 1v5n s HIS 63 Ca 0.64 0.17 -0.01 0.00 0.25 0.00 0.00 55.06 56.11 1v5n s HIS 63 Cb -0.11 -1.69 -0.00 0.00 -1.18 0.00 0.00 32.58 29.59 1v5n s HIS 63 CO 0.18 0.56 -0.14 0.00 -0.65 0.00 0.00 174.74 174.69 1v5n n ASP 65 N 4.26 3.69 0.00 0.00 -0.08 -1.26 -0.31 116.55 122.85 1v5n n ASP 65 Ca -0.19 -2.14 0.00 0.00 -1.51 0.00 0.00 54.79 50.95 1v5n n ASP 65 Cb 0.51 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1v5n n ASP 65 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1v5n n GLU 66 N 0.75 0.11 0.00 -0.67 2.13 -1.26 -4.91 120.64 116.79 1v5n n GLU 66 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1v5n n GLU 66 Cb 0.52 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.60 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 -0.86 -2.15 -4.59 0.00 8.00 0.58 -5.00 116.55 112.54 1v5n n ASP 68 Ca 0.00 -0.15 -0.40 0.00 0.71 0.00 0.00 54.79 54.95 1v5n n ASP 68 Cb 0.00 -1.66 -0.09 0.00 -0.02 0.00 0.00 41.12 39.35 1v5n n ASP 68 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1v5n s PHE 69 N -3.09 3.23 -0.09 1.24 5.36 -1.26 -4.77 117.98 118.60 1v5n s PHE 69 Ca 0.02 0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 56.24 1v5n s PHE 69 Cb -0.01 -2.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 1v5n s PHE 69 CO 0.18 -0.30 0.05 -0.51 -1.46 0.00 0.00 175.22 173.18 1v5n s ASP 70 N 1.68 5.63 0.33 6.13 1.01 -1.23 -2.74 116.67 127.48 1v5n s ASP 70 Ca 0.14 0.25 -0.01 0.00 0.71 0.00 0.00 52.55 53.65 1v5n s ASP 70 Cb -0.16 -1.67 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 1v5n s ASP 70 CO 0.11 0.38 0.43 -0.76 0.21 0.00 0.00 175.17 175.54 1v5n s LEU 71 N -0.97 1.13 0.26 1.23 1.43 -0.98 -3.90 118.68 116.87 1v5n s LEU 71 Ca 0.14 -1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 51.69 1v5n s LEU 71 Cb -0.12 1.28 -0.05 0.00 0.03 0.00 0.00 46.19 47.33 1v5n s LEU 71 CO 0.03 -1.24 0.50 -1.00 0.23 0.00 0.00 176.35 174.88 1v5n s HIS 72 N -3.18 3.48 0.32 0.29 3.76 -1.26 -2.02 115.29 116.67 1v5n s HIS 72 Ca 0.32 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.79 1v5n s HIS 72 Cb 0.00 -2.02 0.55 0.00 1.11 0.00 0.00 32.58 32.22 1v5n s HIS 72 CO 0.21 0.24 1.96 0.00 -0.85 0.00 0.00 174.74 176.30 1v5n h ALA 73 N 1.80 1.51 0.21 -1.40 0.00 -1.98 -0.86 119.26 118.54 1v5n h ALA 73 Ca -0.48 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.09 1v5n h ALA 73 Cb 1.19 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.73 1v5n h ALA 73 CO 0.67 0.42 -1.37 1.57 0.00 0.00 0.00 179.25 180.54 1v5n h LYS 74 N 0.99 0.45 -0.71 0.00 2.10 -1.95 -3.02 116.57 114.44 1v5n h LYS 74 Ca 0.31 -0.77 0.06 0.00 -2.00 0.00 0.00 60.65 58.26 1v5n h LYS 74 Cb 0.02 0.29 -0.06 0.00 -0.90 0.00 0.00 32.23 31.58 1v5n h LYS 74 CO -0.09 1.37 0.40 0.00 -2.00 0.00 0.00 179.45 179.13 1v5n h ALA 76 N 1.37 -0.25 0.23 0.00 0.00 -1.28 -3.37 119.26 115.97 1v5n h ALA 76 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1v5n h ALA 76 Cb 0.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1v5n h ALA 76 CO -0.19 -0.47 -0.11 -0.07 0.00 0.00 0.00 179.25 178.40 1v5n h LEU 77 N -0.58 -0.26-10.29 0.00 3.38 -1.36 -3.45 115.31 102.75 1v5n h LEU 77 Ca -0.03 0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1v5n h LEU 77 Cb 0.43 0.07 0.16 0.00 0.09 0.00 0.00 40.66 41.42 1v5n h LEU 77 CO 0.04 -0.06 0.25 0.21 0.09 0.00 0.00 178.44 178.98 1v5n s ASN 78 N -3.67 3.53 -0.25 -0.43 3.84 0.48 -5.03 114.94 113.41 1v5n s ASN 78 Ca -0.05 1.92 0.02 0.00 0.21 0.00 0.00 52.86 54.97 1v5n s ASN 78 Cb 0.00 -2.49 0.06 0.00 -0.55 0.00 0.00 41.25 38.27 1v5n s ASN 78 CO 0.14 -2.67 -0.08 -1.83 -2.79 0.00 0.00 177.10 169.86 1v5n s GLU 79 N -4.78 1.96 0.13 0.43 -1.05 -1.26 -4.55 118.70 109.58 1v5n s GLU 79 Ca 0.64 -1.19 0.10 0.00 -0.15 0.00 0.00 54.97 54.37 1v5n s GLU 79 Cb -0.20 -2.76 -0.04 0.00 -0.44 0.00 0.00 34.13 30.70 1v5n s GLU 79 CO 0.57 -0.59 -0.23 -0.51 0.95 0.00 0.00 175.26 175.46 1v5n s ASP 80 N 1.23 2.94 0.30 0.83 1.01 -1.26 -5.15 116.67 116.57 1v5n s ASP 80 Ca -0.07 -0.75 0.06 0.00 0.71 0.00 0.00 52.55 52.50 1v5n s ASP 80 Cb -0.19 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.53 1v5n s ASP 80 CO -0.06 0.10 0.39 0.28 0.21 0.00 0.00 175.17 176.09 1v5n s THR 81 N -1.26 4.44 -0.87 -1.27 -1.32 -1.26 -5.05 115.64 109.05 1v5n s THR 81 Ca 0.12 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.33 1v5n s THR 81 Cb -0.09 -3.53 0.12 0.00 -1.51 0.00 0.00 72.50 67.48 1v5n s THR 81 CO 0.06 -0.23 1.08 -0.54 -2.21 0.00 0.00 174.62 172.78 1v5n s LYS 82 N -4.06 3.50 0.41 7.08 1.02 -1.26 -5.00 119.74 121.43 1v5n s LYS 82 Ca 0.40 -1.60 0.07 0.00 0.02 0.00 0.00 55.97 54.86 1v5n s LYS 82 Cb -0.09 -4.78 -0.07 0.00 -0.52 0.00 0.00 37.83 32.37 1v5n s LYS 82 CO 0.29 -1.77 0.04 -1.21 -0.92 0.00 0.00 175.35 171.78 1v5n s GLU 83 N 2.90 2.01 -0.61 1.68 0.41 -1.26 -5.10 118.70 118.73 1v5n s GLU 83 Ca 0.30 -2.07 -0.01 0.00 -0.41 0.00 0.00 54.97 52.78 1v5n s GLU 83 Cb -0.08 -1.70 0.16 0.00 -1.78 0.00 0.00 34.13 30.73 1v5n s GLU 83 CO -0.06 -0.07 0.40 -1.12 -0.49 0.00 0.00 175.26 173.93 1v5n s SER 84 N -3.75 5.04 0.00 -0.19 0.01 -1.26 -5.07 113.70 108.48 1v5n s SER 84 Ca 0.36 -2.90 0.00 0.00 1.31 0.00 0.00 55.95 54.71 1v5n s SER 84 Cb 0.09 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1v5n s SER 84 CO 0.19 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1v5n n GLY 85 N 3.39 -2.46 3.66 3.44 0.00 -1.26 -4.99 105.19 106.97 1v5n n GLY 85 Ca 0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 0.19 0.12 1.61 0.04 -1.26 -4.96 135.00 130.74 1v5n s PRO 86 Ca 0.00 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 61.24 1v5n s PRO 86 Cb 0.00 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1v5n s PRO 86 CO 0.00 -2.88 1.66 0.77 0.04 0.00 0.00 177.00 176.59 1v5n h SER 87 N -1.99 -0.55 -2.19 6.66 0.02 -2.06 -3.39 113.55 110.04 1v5n h SER 87 Ca -0.54 0.08 -0.57 0.00 -0.84 0.00 0.00 61.79 59.92 1v5n h SER 87 Cb 1.33 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1v5n h SER 87 CO 0.56 -0.25 1.38 -0.55 -1.14 0.00 0.00 176.83 176.83 1v5n s SER 88 N -4.97 5.84 0.00 3.07 0.15 -1.26 -5.25 113.70 111.27 1v5n s SER 88 Ca -0.15 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1v5n s SER 88 Cb 0.09 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1v5n s SER 88 CO 0.67 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 174.09