#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 n SER 2 N 0.00 -3.47 -2.15 1.61 2.88 -1.26 -5.14 113.62 106.09 1v31 n SER 2 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1v31 n SER 2 Cb 0.00 3.31 0.00 0.00 -0.75 0.00 0.00 64.21 66.77 1v31 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 3 N -3.38 -8.74 0.00 -3.46 2.88 -1.26 -5.09 113.62 94.58 1v31 n SER 3 Ca 0.00 1.58 0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1v31 n SER 3 Cb 0.00 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 58.67 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v31 n GLY 4 N 1.68 4.02 3.49 0.46 0.00 -1.26 -5.12 105.19 108.47 1v31 n GLY 4 Ca 0.00 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 1v31 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v31 n SER 5 N 0.00 0.01 -3.85 1.61 2.88 -1.26 -4.93 113.62 108.08 1v31 n SER 5 Ca 0.00 1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 58.39 1v31 n SER 5 Cb 0.00 -1.12 -0.13 0.00 -0.75 0.00 0.00 64.21 62.20 1v31 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v31 s SER 6 N -0.78 4.07 1.99 -3.46 0.15 -1.26 -5.04 113.70 109.37 1v31 s SER 6 Ca 0.61 -2.99 0.00 0.00 0.70 0.00 0.00 55.95 54.28 1v31 s SER 6 Cb -0.80 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1v31 s SER 6 CO 0.58 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1v31 n GLY 7 N 3.11 1.90 2.97 9.45 0.00 -1.26 -4.56 105.19 116.80 1v31 n GLY 7 Ca 0.09 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 1v31 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v31 s VAL 8 N 0.00 0.01 0.69 1.61 0.11 -1.26 -5.16 120.40 116.41 1v31 s VAL 8 Ca 0.00 -0.11 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 1v31 s VAL 8 Cb 0.00 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1v31 s VAL 8 CO 0.00 -0.06 1.06 -2.16 -3.33 0.00 0.00 175.10 170.61 1v31 s PRO 9 N -0.16 2.96 -0.25 1.54 0.04 -1.26 -5.04 135.00 132.83 1v31 s PRO 9 Ca -0.02 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 1v31 s PRO 9 Cb -0.02 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1v31 s PRO 9 CO 0.00 -1.08 0.06 -1.83 0.04 0.00 0.00 177.00 174.19 1v31 s GLU 10 N -4.99 3.58 0.63 4.56 -1.05 -1.26 -5.04 118.70 115.12 1v31 s GLU 10 Ca 0.58 -0.52 -0.18 0.00 -0.15 0.00 0.00 54.97 54.70 1v31 s GLU 10 Cb -0.14 -3.29 -0.15 0.00 -0.44 0.00 0.00 34.13 30.11 1v31 s GLU 10 CO 0.54 -0.21 -0.29 1.63 0.95 0.00 0.00 175.26 177.88 1v31 n LYS 11 N 4.91 0.00 -4.16 -4.83 5.02 -1.26 -4.85 118.16 112.98 1v31 n LYS 11 Ca -0.16 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.94 1v31 n LYS 11 Cb 0.51 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.35 1v31 n LYS 11 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1v31 s PHE 12 N -2.00 0.69 1.33 2.13 0.08 0.03 -4.22 117.98 116.02 1v31 s PHE 12 Ca 0.53 -0.18 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 1v31 s PHE 12 Cb -0.42 -0.61 0.34 0.00 -0.57 0.00 0.00 43.02 41.76 1v31 s PHE 12 CO 0.70 -0.17 0.94 1.63 -0.10 0.00 0.00 175.22 178.23 1v31 n LYS 13 N 3.94 -3.63 -4.35 0.44 5.02 0.54 -1.60 118.16 118.52 1v31 n LYS 13 Ca -0.25 -1.05 -0.19 0.00 -2.02 0.00 0.00 58.31 54.79 1v31 n LYS 13 Cb 0.51 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 33.37 1v31 n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v31 s LEU 14 N -7.53 2.54 -0.02 -0.35 1.02 0.40 -3.50 118.68 111.24 1v31 s LEU 14 Ca 0.68 -0.99 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 1v31 s LEU 14 Cb -0.20 -0.74 -0.04 0.00 0.02 0.00 0.00 46.19 45.24 1v31 s LEU 14 CO 0.62 -0.13 0.07 -0.94 0.02 0.00 0.00 176.35 175.99 1v31 s SER 15 N -3.22 5.66 0.54 2.29 1.04 -1.26 -4.86 113.70 113.89 1v31 s SER 15 Ca 0.22 0.16 0.44 0.00 0.48 0.00 0.00 55.95 57.25 1v31 s SER 15 Cb -0.02 -1.63 1.50 0.00 0.10 0.00 0.00 66.02 65.97 1v31 s SER 15 CO 0.08 0.29 1.44 0.41 0.98 0.00 0.00 173.24 176.44 1v31 n THR 16 N 1.36 0.00 0.02 2.02 -1.04 -1.26 0.22 114.28 115.60 1v31 n THR 16 Ca -0.14 1.38 -0.11 0.00 -2.04 0.00 0.00 64.05 63.14 1v31 n THR 16 Cb 0.53 -2.34 -0.08 0.00 -1.82 0.00 0.00 70.33 66.62 1v31 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1v31 h ALA 17 N 0.86 -0.14 0.00 2.41 0.00 -1.94 -1.98 119.26 118.47 1v31 h ALA 17 Ca 0.81 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 1v31 h ALA 17 Cb 3.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 21.30 1v31 h ALA 17 CO -0.01 -0.23 -0.40 1.25 0.00 0.00 0.00 179.25 179.85 1v31 h LEU 18 N -0.84 0.00 -0.19 0.00 5.85 0.17 -2.83 115.31 117.47 1v31 h LEU 18 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1v31 h LEU 18 Cb 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1v31 h LEU 18 CO 0.02 0.40 0.05 -0.03 -0.34 0.00 0.00 178.44 178.54 1v31 h MET 19 N 0.00 0.31 0.00 1.25 4.05 0.26 -1.25 114.93 119.55 1v31 h MET 19 Ca -0.00 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1v31 h MET 19 Cb 0.77 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1v31 h MET 19 CO 0.05 0.44 -0.08 0.22 0.23 0.00 0.00 176.91 177.77 1v31 h ASP 20 N 0.13 0.00 0.48 1.39 1.82 -1.20 1.54 116.42 120.57 1v31 h ASP 20 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1v31 h ASP 20 Cb 0.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1v31 h ASP 20 CO 0.00 0.08 -0.23 0.58 -1.61 0.00 0.00 179.24 178.06 1v31 h VAL 21 N 0.00 0.11 0.00 2.25 2.07 -1.17 -3.42 116.25 116.09 1v31 h VAL 21 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1v31 h VAL 21 Cb 0.18 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1v31 h VAL 21 CO 0.01 0.02 -0.11 0.18 0.02 0.00 0.00 177.57 177.69 1v31 n LEU 22 N -5.21 0.26 0.00 2.57 4.77 -0.53 -5.06 117.00 113.80 1v31 n LEU 22 Ca -0.09 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v31 n LEU 22 Cb 0.27 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1v31 n LEU 22 CO 0.22 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1v31 n GLY 23 N 1.58 1.12 3.42 -0.72 0.00 0.52 -5.03 105.19 106.08 1v31 n GLY 23 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1v31 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1v31 s ILE 24 N -1.52 2.27 -0.22 -0.61 -4.36 -1.26 -5.04 121.20 110.46 1v31 s ILE 24 Ca 0.00 -2.13 0.10 0.00 -0.26 0.00 0.00 60.65 58.36 1v31 s ILE 24 Cb 0.00 -2.12 -0.21 0.00 1.25 0.00 0.00 42.46 41.38 1v31 s ILE 24 CO 0.00 -0.25 -0.07 -1.84 0.24 0.00 0.00 174.94 173.02 1v31 n GLU 25 N -0.01 0.71 -3.54 0.37 0.28 -1.26 -4.50 120.64 112.69 1v31 n GLU 25 Ca -0.10 0.06 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1v31 n GLU 25 Cb 0.58 -1.51 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1v31 s VAL 26 N -2.49 -0.84 0.27 3.84 0.11 -1.26 0.15 120.40 120.17 1v31 s VAL 26 Ca -0.21 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1v31 s VAL 26 Cb 0.07 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1v31 s VAL 26 CO 0.71 0.01 0.12 -0.70 -3.33 0.00 0.00 175.10 171.91 1v31 s GLU 27 N 2.76 1.45 0.00 1.54 2.56 -0.63 -4.86 118.70 121.52 1v31 s GLU 27 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 54.97 53.19 1v31 s GLU 27 Cb -0.13 -0.12 0.00 0.00 2.00 0.00 0.00 34.13 35.88 1v31 s GLU 27 CO -0.17 -0.37 0.00 0.25 -0.56 0.00 0.00 175.26 174.41 1v31 n THR 28 N -0.48 0.00 0.02 -1.70 -2.24 -1.26 -0.79 114.28 107.83 1v31 n THR 28 Ca 0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1v31 n THR 28 Cb 0.66 -0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 67.78 1v31 n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v31 h ARG 29 N 0.00 0.25 -0.05 -0.78 2.43 -1.96 -3.24 114.38 111.03 1v31 h ARG 29 Ca 0.00 -0.43 -0.21 0.00 -0.81 0.00 0.00 59.98 58.53 1v31 h ARG 29 Cb 0.00 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1v31 h ARG 29 CO 0.00 1.21 -0.79 -1.00 -1.51 0.00 0.00 179.97 177.87 1v31 h PRO 30 N -0.40 0.62 -0.50 0.20 0.13 -1.98 -2.55 132.00 127.52 1v31 h PRO 30 Ca -0.20 -0.61 0.10 0.00 -0.87 0.00 0.00 66.00 64.42 1v31 h PRO 30 Cb 1.64 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.83 1v31 h PRO 30 CO 0.10 1.22 -0.11 0.00 -0.23 0.00 0.00 178.00 178.97 1v31 h ARG 31 N 0.26 0.01 0.37 0.86 2.47 -1.95 0.88 114.38 117.29 1v31 h ARG 31 Ca -0.09 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1v31 h ARG 31 Cb 1.46 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1v31 h ARG 31 CO 0.16 0.01 -0.18 0.82 0.56 0.00 0.00 179.97 181.34 1v31 h ILE 32 N 0.01 0.00 -0.98 2.04 2.04 -1.62 1.02 117.51 120.03 1v31 h ILE 32 Ca 0.24 -0.12 0.29 0.00 1.00 0.00 0.00 64.86 66.28 1v31 h ILE 32 Cb 0.37 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.27 1v31 h ILE 32 CO -0.51 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.17 1v31 h ILE 33 N -0.62 0.05 -0.09 -0.67 2.04 -1.19 0.99 117.51 118.02 1v31 h ILE 33 Ca -0.05 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1v31 h ILE 33 Cb 0.38 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1v31 h ILE 33 CO 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.18 1v31 h ALA 34 N 1.97 0.13 -0.74 1.87 0.00 0.90 -1.28 119.26 122.10 1v31 h ALA 34 Ca 0.64 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.50 1v31 h ALA 34 Cb 1.39 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1v31 h ALA 34 CO -0.87 -0.09 0.76 0.00 0.00 0.00 0.00 179.25 179.05 1v31 h ALA 35 N 0.61 2.55 0.06 0.00 0.00 0.89 1.63 119.26 125.00 1v31 h ALA 35 Ca 0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1v31 h ALA 35 Cb 0.53 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1v31 h ALA 35 CO 0.02 -1.14 -1.73 0.82 0.00 0.00 0.00 179.25 177.21 1v31 h ILE 36 N 0.00 0.88 0.19 0.00 2.04 -0.44 -2.67 117.51 117.50 1v31 h ILE 36 Ca 0.35 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 63.56 1v31 h ILE 36 Cb 1.87 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 40.49 1v31 h ILE 36 CO -0.00 0.70 -0.09 -0.50 0.00 0.00 0.00 178.15 178.26 1v31 h TRP 37 N 0.04 -0.24 0.65 1.37 4.06 0.33 -0.43 115.95 121.72 1v31 h TRP 37 Ca -0.31 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.60 1v31 h TRP 37 Cb 2.01 0.08 0.01 0.00 -1.00 0.00 0.00 29.16 30.26 1v31 h TRP 37 CO 0.04 -0.00 -0.31 1.25 -3.56 0.00 0.00 178.44 175.86 1v31 h HIS 38 N -0.46 -0.80 -0.98 0.49 -0.00 -0.26 -2.82 115.15 110.32 1v31 h HIS 38 Ca -0.03 -0.02 0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1v31 h HIS 38 Cb 0.35 0.27 -0.14 0.00 -0.00 0.00 0.00 27.41 27.89 1v31 h HIS 38 CO -0.01 -0.50 -0.49 0.98 -0.00 0.00 0.00 177.93 177.91 1v31 n TYR 39 N -4.48 -0.22 -0.27 5.26 9.36 -1.01 0.26 117.16 126.06 1v31 n TYR 39 Ca -0.11 1.22 -0.09 0.00 3.32 0.00 0.00 57.90 62.24 1v31 n TYR 39 Cb 0.34 -0.71 -0.08 0.00 -0.63 0.00 0.00 39.34 38.27 1v31 n TYR 39 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1v31 h VAL 40 N 0.00 0.00 -0.58 2.97 2.07 -1.05 1.50 116.25 121.16 1v31 h VAL 40 Ca 0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.86 1v31 h VAL 40 Cb 0.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1v31 h VAL 40 CO -0.95 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.14 1v31 h LYS 41 N -0.08 0.35 0.29 1.57 1.57 -0.59 0.66 116.57 120.34 1v31 h LYS 41 Ca 0.11 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1v31 h LYS 41 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1v31 h LYS 41 CO -0.66 0.23 -0.45 0.00 -0.57 0.00 0.00 179.45 178.00 1v31 h ALA 42 N 1.71 -1.03 0.00 3.86 0.00 0.65 0.30 119.26 124.75 1v31 h ALA 42 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1v31 h ALA 42 Cb 0.58 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1v31 h ALA 42 CO -0.07 -1.10 0.00 0.54 0.00 0.00 0.00 179.25 178.63 1v31 n ARG 43 N -5.08 1.00 -2.60 0.00 3.00 -0.03 -4.84 116.66 108.11 1v31 n ARG 43 Ca -0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.54 1v31 n ARG 43 Cb 0.38 -1.17 0.01 0.00 0.00 0.00 0.00 32.46 31.68 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1v31 n LYS 44 N -0.67 -2.76 0.21 5.56 5.02 0.38 -4.83 118.16 121.07 1v31 n LYS 44 Ca 0.08 0.98 0.15 0.00 -2.02 0.00 0.00 58.31 57.50 1v31 n LYS 44 Cb 0.04 -5.70 0.61 0.00 -0.02 0.00 0.00 35.03 29.96 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -0.47 0.00 -9.49 -0.35 3.38 -0.06 -3.45 115.31 104.87 1v31 h LEU 45 Ca -0.51 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 1v31 h LEU 45 Cb 1.37 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.27 1v31 h LEU 45 CO 0.58 0.00 -0.21 1.67 0.09 0.00 0.00 178.44 180.57 1v31 n GLN 46 N -2.69 0.78 -3.72 1.13 7.27 -1.25 0.11 117.38 119.01 1v31 n GLN 46 Ca 0.01 0.29 -0.36 0.00 0.07 0.00 0.00 57.00 57.00 1v31 n GLN 46 Cb 0.26 -1.74 -0.07 0.00 2.41 0.00 0.00 30.24 31.10 1v31 n GLN 46 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1v31 s ASN 47 N -0.97 6.40 -0.02 1.69 3.84 -1.11 -4.59 114.94 120.17 1v31 s ASN 47 Ca 0.66 0.47 -0.23 0.00 0.21 0.00 0.00 52.86 53.97 1v31 s ASN 47 Cb -0.54 -2.12 -0.22 0.00 -0.55 0.00 0.00 41.25 37.82 1v31 s ASN 47 CO 0.56 0.27 1.09 1.55 -2.79 0.00 0.00 177.10 177.78 1v31 h PRO 48 N 5.76 0.26 0.12 0.43 0.13 -1.92 -3.31 132.00 133.46 1v31 h PRO 48 Ca -0.48 -0.25 0.02 0.00 -0.87 0.00 0.00 66.00 64.42 1v31 h PRO 48 Cb 1.19 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1v31 h PRO 48 CO 0.67 0.94 -0.44 -0.91 -0.23 0.00 0.00 178.00 178.03 1v31 h ASN 49 N -0.33 -1.32 -3.33 1.44 2.35 -1.97 -3.38 115.58 109.04 1v31 h ASN 49 Ca -0.03 0.14 -0.67 0.00 -0.55 0.00 0.00 56.30 55.19 1v31 h ASN 49 Cb 1.04 0.49 -0.31 0.00 0.05 0.00 0.00 38.32 39.59 1v31 h ASN 49 CO 0.07 -0.51 -0.77 -1.81 -1.65 0.00 0.00 177.43 172.76 1v31 s ASP 50 N -4.70 3.94 0.35 5.81 1.11 -1.25 -4.97 116.67 116.96 1v31 s ASP 50 Ca -0.16 -0.62 0.26 0.00 0.18 0.00 0.00 52.55 52.21 1v31 s ASP 50 Cb 0.07 -1.63 0.89 0.00 1.07 0.00 0.00 42.92 43.31 1v31 s ASP 50 CO 0.63 -0.05 1.77 1.55 1.18 0.00 0.00 175.17 180.25 1v31 h PRO 51 N 8.03 0.00 0.00 8.23 0.13 -1.75 -2.64 132.00 144.00 1v31 h PRO 51 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1v31 h PRO 51 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1v31 h PRO 51 CO 0.60 0.00 -0.49 0.77 -0.23 0.00 0.00 178.00 178.65 1v31 h SER 52 N 0.00 0.00 -0.84 1.44 0.02 -1.93 -3.47 113.55 108.77 1v31 h SER 52 Ca 0.00 -0.14 -0.56 0.00 -0.84 0.00 0.00 61.79 60.25 1v31 h SER 52 Cb 0.64 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.13 1v31 h SER 52 CO 0.00 0.07 -0.32 -0.36 -1.14 0.00 0.00 176.83 175.07 1v31 s PHE 53 N -3.17 1.90 -0.02 3.45 0.08 -0.99 0.19 117.98 119.42 1v31 s PHE 53 Ca 0.07 -0.75 -0.28 0.00 0.12 0.00 0.00 56.93 56.08 1v31 s PHE 53 Cb 0.12 -1.98 0.10 0.00 -0.57 0.00 0.00 43.02 40.69 1v31 s PHE 53 CO 0.70 -0.38 0.83 -0.59 -0.10 0.00 0.00 175.22 175.67 1v31 s PHE 54 N -2.70 -0.43 0.24 0.36 -0.12 -0.20 -2.76 117.98 112.37 1v31 s PHE 54 Ca 0.38 0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 57.44 1v31 s PHE 54 Cb -0.02 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.78 1v31 s PHE 54 CO 0.23 -0.56 1.06 -0.80 -0.05 0.00 0.00 175.22 175.10 1v31 s ASN 55 N -2.01 7.36 -0.35 1.98 0.01 0.30 -2.09 114.94 120.13 1v31 s ASN 55 Ca 0.00 2.14 -0.15 0.00 -0.71 0.00 0.00 52.86 54.14 1v31 s ASN 55 Cb -0.01 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1v31 s ASN 55 CO -0.04 -0.09 0.37 0.00 -1.51 0.00 0.00 177.10 175.83 1v31 n ASP 57 N 5.41 -0.68 0.19 0.00 2.03 -1.26 -4.65 116.55 117.57 1v31 n ASP 57 Ca -0.09 -0.08 0.07 0.00 0.52 0.00 0.00 54.79 55.21 1v31 n ASP 57 Cb 0.49 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.13 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v31 h ALA 58 N -2.00 0.87 0.00 -1.67 0.00 -1.99 -2.87 119.26 111.60 1v31 h ALA 58 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1v31 h ALA 58 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1v31 h ALA 58 CO 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 179.25 179.34 1v31 h ALA 59 N 1.68 0.01 -0.89 0.00 0.00 -1.97 -3.23 119.26 114.86 1v31 h ALA 59 Ca -0.00 -0.32 0.26 0.00 0.00 0.00 0.00 54.91 54.85 1v31 h ALA 59 Cb 1.05 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1v31 h ALA 59 CO 0.04 0.30 0.93 -0.07 0.00 0.00 0.00 179.25 180.44 1v31 h LEU 60 N -1.00 0.00 -0.04 0.00 3.38 -1.89 0.97 115.31 116.72 1v31 h LEU 60 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1v31 h LEU 60 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1v31 h LEU 60 CO -0.00 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 180.00 1v31 h GLN 61 N 0.00 0.13 -0.17 1.13 4.20 -1.61 0.58 115.11 119.36 1v31 h GLN 61 Ca 0.42 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 59.10 1v31 h GLN 61 Cb 2.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 30.06 1v31 h GLN 61 CO -0.00 0.67 0.36 1.57 -0.67 0.00 0.00 178.83 180.75 1v31 h LYS 62 N -0.39 0.00 0.00 1.46 2.10 0.96 0.65 116.57 121.36 1v31 h LYS 62 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1v31 h LYS 62 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1v31 h LYS 62 CO 0.02 0.00 0.00 0.28 -2.00 0.00 0.00 179.45 177.75 1v31 n VAL 63 N -3.28 0.00 0.05 0.07 0.31 -0.98 -4.79 118.33 109.71 1v31 n VAL 63 Ca 0.02 0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 64.79 1v31 n VAL 63 Cb 0.46 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.94 1v31 n VAL 63 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1v31 h PHE 64 N 0.00 -0.17 0.00 3.52 0.04 -0.65 -3.49 116.94 116.20 1v31 h PHE 64 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v31 h PHE 64 Cb 0.00 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1v31 h PHE 64 CO 0.00 -0.10 0.00 0.41 -0.60 0.00 0.00 178.31 178.02 1v31 n GLY 65 N 1.02 0.69 3.85 -1.45 0.00 0.23 -5.01 105.19 104.52 1v31 n GLY 65 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1v31 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v31 s GLU 66 N -0.58 3.31 0.28 1.61 2.02 -1.26 -4.99 118.70 119.08 1v31 s GLU 66 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1v31 s GLU 66 Cb 0.00 -3.04 0.63 0.00 0.10 0.00 0.00 34.13 31.82 1v31 s GLU 66 CO 0.00 0.70 1.75 1.05 0.02 0.00 0.00 175.26 178.78 1v31 h GLU 67 N 4.34 0.58 -4.53 1.61 4.11 -1.96 -3.41 114.58 115.32 1v31 h GLU 67 Ca -0.51 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 58.67 1v31 h GLU 67 Cb 1.20 -0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1v31 h GLU 67 CO 0.63 0.38 -0.63 -1.59 0.07 0.00 0.00 179.01 177.87 1v31 s LYS 68 N -5.92 1.09 0.21 1.06 -2.85 -1.26 0.91 119.74 112.98 1v31 s LYS 68 Ca -0.12 -1.55 -0.18 0.00 -1.00 0.00 0.00 55.97 53.12 1v31 s LYS 68 Cb 0.23 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.27 1v31 s LYS 68 CO 0.78 -0.33 0.55 -1.17 0.10 0.00 0.00 175.35 175.29 1v31 s LEU 69 N -3.12 0.00 0.41 2.77 0.20 -0.89 -4.90 118.68 113.14 1v31 s LEU 69 Ca 0.33 -0.51 -0.08 0.00 0.69 0.00 0.00 54.13 54.56 1v31 s LEU 69 Cb 0.07 2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 48.01 1v31 s LEU 69 CO 0.08 -1.10 0.73 -0.54 -0.29 0.00 0.00 176.35 175.23 1v31 s LYS 70 N -3.88 3.68 0.10 1.98 1.02 -1.26 -1.03 119.74 120.35 1v31 s LYS 70 Ca 0.10 0.30 0.25 0.00 0.02 0.00 0.00 55.97 56.64 1v31 s LYS 70 Cb -0.02 -2.43 0.96 0.00 -0.52 0.00 0.00 37.83 35.82 1v31 s LYS 70 CO -0.01 -0.04 1.77 1.19 -0.92 0.00 0.00 175.35 177.34 1v31 n PHE 71 N -1.52 0.42 -0.10 3.18 3.72 0.51 -3.03 117.46 120.64 1v31 n PHE 71 Ca 0.01 0.13 -0.13 0.00 -0.05 0.00 0.00 57.45 57.41 1v31 n PHE 71 Cb 0.54 -0.72 -0.11 0.00 -0.94 0.00 0.00 39.48 38.25 1v31 n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1v31 n THR 72 N -1.85 1.25 0.29 4.37 -2.24 -1.26 -4.36 114.28 110.49 1v31 n THR 72 Ca 0.05 -0.57 0.15 0.00 -2.27 0.00 0.00 64.05 61.42 1v31 n THR 72 Cb 0.32 -1.05 0.89 0.00 -2.10 0.00 0.00 70.33 68.40 1v31 n THR 72 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1v31 h MET 73 N 0.00 0.00 -1.13 -0.78 2.86 -1.92 -2.04 114.93 111.93 1v31 h MET 73 Ca -0.49 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 57.46 1v31 h MET 73 Cb 1.87 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.44 1v31 h MET 73 CO -0.04 0.04 0.75 0.28 1.06 0.00 0.00 176.91 178.99 1v31 h VAL 74 N 0.00 0.43 -0.44 -2.22 2.07 -1.73 0.89 116.25 115.25 1v31 h VAL 74 Ca -0.00 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1v31 h VAL 74 Cb 0.11 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1v31 h VAL 74 CO 0.00 0.04 0.02 -1.28 0.02 0.00 0.00 177.57 176.38 1v31 h SER 75 N 0.25 0.74 -0.42 0.57 0.87 -1.66 1.07 113.55 114.97 1v31 h SER 75 Ca 0.62 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.75 1v31 h SER 75 Cb 1.87 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 63.55 1v31 h SER 75 CO -0.24 0.85 0.18 0.00 -0.53 0.00 0.00 176.83 177.09 1v31 n GLN 76 N -4.42 2.33 0.00 2.24 10.64 0.29 -2.81 117.38 125.64 1v31 n GLN 76 Ca -0.00 -1.61 0.00 0.00 -1.83 0.00 0.00 57.00 53.56 1v31 n GLN 76 Cb 0.28 -1.75 0.00 0.00 -0.86 0.00 0.00 30.24 27.91 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1v31 n LYS 77 N -0.03 0.00 0.15 2.61 4.76 -0.20 -4.81 118.16 120.64 1v31 n LYS 77 Ca 0.23 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.68 1v31 n LYS 77 Cb 0.94 -0.26 0.22 0.00 -1.84 0.00 0.00 35.03 34.09 1v31 n LYS 77 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1v31 h ILE 78 N 0.00 1.30 -0.72 -0.18 -0.00 0.10 -2.90 117.51 115.11 1v31 h ILE 78 Ca 0.00 -1.93 0.21 0.00 -0.00 0.00 0.00 64.86 63.13 1v31 h ILE 78 Cb 0.22 2.07 -0.03 0.00 -0.00 0.00 0.00 36.82 39.08 1v31 h ILE 78 CO 0.00 0.54 0.80 0.77 -0.00 0.00 0.00 178.15 180.25 1v31 h SER 79 N 0.00 0.00 -0.32 2.16 4.64 -1.67 1.48 113.55 119.84 1v31 h SER 79 Ca -0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1v31 h SER 79 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1v31 h SER 79 CO 0.07 0.00 -0.45 -0.74 -0.87 0.00 0.00 176.83 174.84 1v31 h HIS 80 N 0.00 1.07 0.00 4.77 2.76 -1.82 -2.97 115.15 118.96 1v31 h HIS 80 Ca 0.34 -0.36 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1v31 h HIS 80 Cb 1.93 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.66 1v31 h HIS 80 CO 0.00 1.18 -0.66 0.45 -1.30 0.00 0.00 177.93 177.60 1v31 h HIS 81 N 0.66 0.00 -2.61 5.26 3.86 0.18 -3.44 115.15 119.06 1v31 h HIS 81 Ca 0.03 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.72 1v31 h HIS 81 Cb 1.06 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.56 1v31 h HIS 81 CO 0.07 0.66 1.06 -0.51 0.86 0.00 0.00 177.93 180.06 1v31 s LEU 82 N -7.03 4.39 0.17 2.43 1.43 0.29 -4.48 118.68 115.87 1v31 s LEU 82 Ca 0.01 2.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.84 1v31 s LEU 82 Cb 0.11 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1v31 s LEU 82 CO 0.76 -0.96 -0.09 -0.44 0.23 0.00 0.00 176.35 175.85 1v31 s SER 83 N 2.36 1.88 -0.16 2.29 0.01 -1.23 -4.92 113.70 113.93 1v31 s SER 83 Ca 0.78 -1.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1v31 s SER 83 Cb -0.45 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 1v31 s SER 83 CO 0.34 -0.35 1.27 -2.16 0.41 0.00 0.00 173.24 172.76 1v31 s PRO 84 N -3.76 4.24 0.97 12.44 0.04 -1.26 -0.34 135.00 147.33 1v31 s PRO 84 Ca 0.19 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1v31 s PRO 84 Cb 0.03 -3.76 0.17 0.00 0.04 0.00 0.00 34.50 30.98 1v31 s PRO 84 CO 0.03 -0.70 1.17 -1.25 0.04 0.00 0.00 177.00 176.29 1v31 s PRO 85 N 3.45 0.64 -0.15 0.56 0.04 -1.26 -4.79 135.00 133.50 1v31 s PRO 85 Ca 0.55 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 1v31 s PRO 85 Cb -0.22 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 85 CO 0.15 -2.50 1.27 -1.25 0.04 0.00 0.00 177.00 174.71 1v31 s PRO 86 N -5.42 4.25 0.98 0.56 0.04 -1.26 -5.02 135.00 129.13 1v31 s PRO 86 Ca 0.67 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1v31 s PRO 86 Cb -0.12 -3.74 0.24 0.00 0.04 0.00 0.00 34.50 30.91 1v31 s PRO 86 CO 0.54 -0.68 1.08 -0.35 0.04 0.00 0.00 177.00 177.63 1v31 n PRO 87 N 6.44 -2.01 -2.72 0.56 -0.04 -1.26 -5.06 135.00 130.91 1v31 n PRO 87 Ca 0.14 -1.70 -0.07 0.00 -0.04 0.00 0.00 63.50 61.83 1v31 n PRO 87 Cb 0.45 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.64 1v31 n PRO 87 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 88 N -4.20 -2.26 0.00 3.54 7.64 -1.26 -5.08 113.62 111.99 1v31 n SER 88 Ca 0.14 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1v31 n SER 88 Cb 0.52 1.52 0.00 0.00 -1.01 0.00 0.00 64.21 65.24 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 89 N 1.29 2.08 3.81 0.23 0.00 -1.26 -5.15 105.19 106.20 1v31 n GLY 89 Ca 0.05 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1v31 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v31 s PRO 90 N -0.19 3.44 0.75 1.61 0.04 -1.26 -5.05 135.00 134.35 1v31 s PRO 90 Ca 0.00 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 1v31 s PRO 90 Cb 0.00 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1v31 s PRO 90 CO 0.00 -0.71 1.12 0.45 0.04 0.00 0.00 177.00 177.90 1v31 s SER 91 N -2.73 5.07 0.27 6.66 0.15 -1.26 -5.09 113.70 116.77 1v31 s SER 91 Ca 0.63 1.05 -0.21 0.00 0.70 0.00 0.00 55.95 58.13 1v31 s SER 91 Cb -0.15 -1.76 0.03 0.00 -1.71 0.00 0.00 66.02 62.42 1v31 s SER 91 CO 0.34 -1.58 0.76 -0.55 1.20 0.00 0.00 173.24 173.42 1v31 s SER 92 N -4.36 -0.23 0.00 5.45 0.15 -1.26 -5.31 113.70 108.14 1v31 s SER 92 Ca 0.60 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1v31 s SER 92 Cb -0.11 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1v31 s SER 92 CO 0.51 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.26