#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 -0.18 -4.41 1.61 7.64 -1.26 -5.10 113.62 111.91 1v31 n SER 2 Ca 0.00 0.43 -0.32 0.00 1.01 0.00 0.00 58.87 59.99 1v31 n SER 2 Cb 0.00 0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.44 1v31 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v31 s SER 3 N -4.98 3.77 0.00 6.43 0.01 -1.26 -5.05 113.70 112.62 1v31 s SER 3 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1v31 s SER 3 Cb 0.00 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1v31 s SER 3 CO 0.00 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1v31 n GLY 4 N 2.59 -0.92 2.42 3.44 0.00 -1.26 -5.08 105.19 106.38 1v31 n GLY 4 Ca -0.17 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1v31 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v31 n SER 5 N 0.00 -0.74 -4.41 1.61 7.64 -1.26 -4.99 113.62 111.46 1v31 n SER 5 Ca 0.00 -2.42 -0.37 0.00 1.01 0.00 0.00 58.87 57.09 1v31 n SER 5 Cb 0.00 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 62.72 1v31 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v31 s SER 6 N 0.10 5.16 1.17 6.43 0.15 -1.26 -4.98 113.70 120.47 1v31 s SER 6 Ca 0.33 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1v31 s SER 6 Cb 0.04 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1v31 s SER 6 CO -0.19 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1v31 n GLY 7 N 4.92 1.70 3.50 9.45 0.00 -1.26 -4.81 105.19 118.68 1v31 n GLY 7 Ca -0.16 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1v31 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v31 n VAL 8 N 0.00 1.34 -0.54 1.61 0.24 -1.26 -5.00 118.33 114.72 1v31 n VAL 8 Ca 0.00 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1v31 n VAL 8 Cb 0.00 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1v31 n VAL 8 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1v31 n PRO 9 N -1.57 -0.08 -5.05 7.34 -0.04 -1.26 -4.99 135.00 129.35 1v31 n PRO 9 Ca 0.10 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 1v31 n PRO 9 Cb 0.51 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.81 1v31 n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1v31 s GLU 10 N -2.17 2.41 0.07 0.54 1.03 -1.26 -5.05 118.70 114.27 1v31 s GLU 10 Ca 0.00 -0.75 0.08 0.00 0.03 0.00 0.00 54.97 54.33 1v31 s GLU 10 Cb 0.00 -1.95 -0.03 0.00 -0.80 0.00 0.00 34.13 31.35 1v31 s GLU 10 CO 0.00 0.23 -0.22 0.15 -1.33 0.00 0.00 175.26 174.09 1v31 s LYS 11 N 0.18 1.36 -0.03 -4.83 1.02 -1.26 -4.26 119.74 111.91 1v31 s LYS 11 Ca -0.10 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1v31 s LYS 11 Cb -0.15 -1.56 -0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1v31 s LYS 11 CO 0.05 0.39 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.68 1v31 s PHE 12 N -0.93 1.27 0.09 3.18 0.40 0.14 -4.30 117.98 117.83 1v31 s PHE 12 Ca 0.08 -0.33 -0.31 0.00 -0.60 0.00 0.00 56.93 55.77 1v31 s PHE 12 Cb -0.09 -0.87 -0.08 0.00 0.51 0.00 0.00 43.02 42.49 1v31 s PHE 12 CO 0.03 -0.12 1.44 0.21 0.70 0.00 0.00 175.22 177.48 1v31 s LYS 13 N 0.10 4.29 0.56 0.44 2.36 0.49 -3.15 119.74 124.83 1v31 s LYS 13 Ca -0.03 2.11 -0.16 0.00 -2.55 0.00 0.00 55.97 55.34 1v31 s LYS 13 Cb -0.09 -3.33 -0.05 0.00 -1.05 0.00 0.00 37.83 33.30 1v31 s LYS 13 CO 0.01 -0.51 1.04 -0.51 1.55 0.00 0.00 175.35 176.93 1v31 s LEU 14 N 1.50 3.57 0.68 5.43 1.02 -0.90 -2.67 118.68 127.31 1v31 s LEU 14 Ca 0.66 1.77 -0.09 0.00 0.02 0.00 0.00 54.13 56.49 1v31 s LEU 14 Cb -0.37 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.33 1v31 s LEU 14 CO 0.30 -0.98 1.04 -0.94 0.02 0.00 0.00 176.35 175.79 1v31 s SER 15 N -2.76 5.34 0.21 2.29 1.04 -1.26 -4.78 113.70 113.79 1v31 s SER 15 Ca 0.63 0.92 -0.09 0.00 0.48 0.00 0.00 55.95 57.88 1v31 s SER 15 Cb -0.15 -1.73 0.22 0.00 0.10 0.00 0.00 66.02 64.47 1v31 s SER 15 CO 0.33 -1.34 1.84 0.74 0.98 0.00 0.00 173.24 175.79 1v31 h THR 16 N -0.55 1.05 0.01 2.02 2.02 -1.97 1.38 112.91 116.88 1v31 h THR 16 Ca -0.45 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 1v31 h THR 16 Cb 1.27 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1v31 h THR 16 CO 0.63 0.15 -0.41 0.00 0.37 0.00 0.00 175.52 176.26 1v31 h ALA 17 N 1.33 0.03 -0.27 6.16 0.00 -1.94 -2.43 119.26 122.14 1v31 h ALA 17 Ca 0.30 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1v31 h ALA 17 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1v31 h ALA 17 CO -0.14 0.20 0.18 1.25 0.00 0.00 0.00 179.25 180.74 1v31 h LEU 18 N -0.38 0.26 -0.62 0.00 5.85 -1.79 0.44 115.31 119.07 1v31 h LEU 18 Ca -0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1v31 h LEU 18 Cb 1.17 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1v31 h LEU 18 CO 0.08 0.19 -0.67 0.24 -0.34 0.00 0.00 178.44 177.94 1v31 h MET 19 N 0.31 0.00 0.00 1.25 2.86 0.19 -2.58 114.93 116.95 1v31 h MET 19 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1v31 h MET 19 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1v31 h MET 19 CO -0.02 0.67 -0.14 -0.25 1.06 0.00 0.00 176.91 178.23 1v31 n ASP 20 N -3.70 0.15 -0.08 1.22 9.92 -0.02 -0.46 116.55 123.59 1v31 n ASP 20 Ca -0.01 0.29 -0.14 0.00 -0.53 0.00 0.00 54.79 54.41 1v31 n ASP 20 Cb 0.67 -0.29 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1v31 h VAL 21 N 0.00 1.15 0.00 2.53 2.07 -0.73 -3.43 116.25 117.84 1v31 h VAL 21 Ca 0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1v31 h VAL 21 Cb 0.51 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1v31 h VAL 21 CO 0.00 0.39 -0.54 0.18 0.02 0.00 0.00 177.57 177.62 1v31 n LEU 22 N -4.58 1.24 0.00 2.57 4.77 -1.03 -5.05 117.00 114.91 1v31 n LEU 22 Ca -0.15 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1v31 n LEU 22 Cb 0.46 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1v31 n LEU 22 CO 0.23 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 1v31 n GLY 23 N 1.54 1.44 0.00 -0.72 0.00 0.39 -5.07 105.19 102.77 1v31 n GLY 23 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1v31 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v31 n ILE 24 N 0.00 0.00 0.00 -0.61 -5.35 -1.25 -5.06 119.36 107.09 1v31 n ILE 24 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1v31 n ILE 24 Cb 0.00 -0.40 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 1v31 n ILE 24 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1v31 n GLU 25 N -0.38 0.00 -3.63 6.28 2.13 -1.26 -4.76 120.64 119.02 1v31 n GLU 25 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1v31 n GLU 25 Cb 0.00 -0.20 -0.16 0.00 0.27 0.00 0.00 31.44 31.35 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1v31 s VAL 26 N -1.49 0.15 0.39 6.31 1.01 -1.26 -2.11 120.40 123.40 1v31 s VAL 26 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1v31 s VAL 26 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1v31 s VAL 26 CO 0.00 -0.45 0.16 1.21 0.00 0.00 0.00 175.10 176.02 1v31 n GLU 27 N 5.18 0.56 -0.12 2.72 4.07 -1.19 -4.93 120.64 126.93 1v31 n GLU 27 Ca -0.07 -3.37 0.00 0.00 -0.06 0.00 0.00 57.16 53.67 1v31 n GLU 27 Cb 0.46 1.95 0.00 0.00 -0.06 0.00 0.00 31.44 33.78 1v31 n GLU 27 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1v31 n THR 28 N -0.86 0.00 0.01 6.31 -2.24 -1.26 0.25 114.28 116.48 1v31 n THR 28 Ca -0.04 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.54 1v31 n THR 28 Cb 0.60 -1.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 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 0.21 0.19 -0.78 2.43 -1.97 -3.32 114.38 111.15 1v31 h ARG 29 Ca 0.00 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1v31 h ARG 29 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1v31 h ARG 29 CO 0.00 1.17 -0.09 -1.00 -1.51 0.00 0.00 179.97 178.54 1v31 h PRO 30 N -0.49 -0.25 -0.78 0.20 0.13 -1.96 -2.69 132.00 126.16 1v31 h PRO 30 Ca -0.19 0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.26 1v31 h PRO 30 Cb 1.56 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.61 1v31 h PRO 30 CO 0.07 0.01 0.33 0.54 -0.23 0.00 0.00 178.00 178.72 1v31 n ARG 31 N -4.94 -0.05 0.14 0.86 1.74 -1.26 0.12 116.66 113.27 1v31 n ARG 31 Ca -0.05 1.09 -0.06 0.00 -0.77 0.00 0.00 57.85 58.05 1v31 n ARG 31 Cb 0.19 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.69 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1v31 h ILE 32 N 0.00 0.00 -0.93 0.55 2.04 -1.66 0.58 117.51 118.09 1v31 h ILE 32 Ca 0.62 -0.40 0.28 0.00 1.00 0.00 0.00 64.86 66.36 1v31 h ILE 32 Cb 1.58 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.50 1v31 h ILE 32 CO -0.63 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.22 1v31 h ILE 33 N -0.81 0.23 -0.07 -0.67 2.04 0.19 0.58 117.51 118.99 1v31 h ILE 33 Ca -0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1v31 h ILE 33 Cb 0.32 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1v31 h ILE 33 CO 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 178.15 178.14 1v31 h ALA 34 N 1.85 0.11 -1.25 1.87 0.00 0.86 -1.94 119.26 120.76 1v31 h ALA 34 Ca 0.63 -0.32 0.36 0.00 0.00 0.00 0.00 54.91 55.58 1v31 h ALA 34 Cb 1.37 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1v31 h ALA 34 CO -0.71 -0.03 0.90 0.00 0.00 0.00 0.00 179.25 179.41 1v31 h ALA 35 N 0.51 3.18 0.11 0.00 0.00 0.54 1.61 119.26 125.21 1v31 h ALA 35 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 1v31 h ALA 35 Cb 0.67 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1v31 h ALA 35 CO 0.03 -1.53 -1.42 0.82 0.00 0.00 0.00 179.25 177.15 1v31 h ILE 36 N 0.00 1.28 0.06 0.00 2.04 -0.57 -1.89 117.51 118.44 1v31 h ILE 36 Ca 0.59 -2.91 -0.00 0.00 1.00 0.00 0.00 64.86 63.54 1v31 h ILE 36 Cb 2.38 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 41.27 1v31 h ILE 36 CO -0.01 0.84 -0.03 -0.50 0.00 0.00 0.00 178.15 178.45 1v31 h TRP 37 N 0.07 -0.08 0.81 1.37 4.06 0.29 0.16 115.95 122.63 1v31 h TRP 37 Ca -0.20 -0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.71 1v31 h TRP 37 Cb 1.99 0.03 0.01 0.00 -1.00 0.00 0.00 29.16 30.18 1v31 h TRP 37 CO 0.06 0.03 -0.39 1.25 -3.56 0.00 0.00 178.44 175.83 1v31 h HIS 38 N -0.17 -1.00 -0.78 0.49 2.76 -0.55 -2.61 115.15 113.29 1v31 h HIS 38 Ca -0.01 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.26 1v31 h HIS 38 Cb 0.14 0.33 -0.13 0.00 1.55 0.00 0.00 27.41 29.30 1v31 h HIS 38 CO -0.05 -0.62 -0.37 -0.92 -1.30 0.00 0.00 177.93 174.67 1v31 h TYR 39 N -1.26 -1.04 -0.26 5.26 3.20 -1.33 1.25 116.97 122.80 1v31 h TYR 39 Ca -0.11 0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1v31 h TYR 39 Cb 0.83 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 1v31 h TYR 39 CO 0.01 -0.39 -0.38 0.28 -1.64 0.00 0.00 178.16 176.03 1v31 h VAL 40 N -0.09 0.00 -0.47 1.81 2.07 -0.65 0.74 116.25 119.67 1v31 h VAL 40 Ca 0.28 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.86 1v31 h VAL 40 Cb 0.57 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1v31 h VAL 40 CO -0.82 0.00 0.17 0.11 0.02 0.00 0.00 177.57 177.05 1v31 h LYS 41 N -0.29 0.34 -0.82 1.57 1.57 -0.74 0.50 116.57 118.71 1v31 h LYS 41 Ca 0.05 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.99 1v31 h LYS 41 Cb 0.41 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.53 1v31 h LYS 41 CO -0.39 0.23 0.29 0.00 -0.57 0.00 0.00 179.45 179.01 1v31 h ALA 42 N 1.30 1.19 -0.37 3.86 0.00 0.32 1.40 119.26 126.97 1v31 h ALA 42 Ca 0.22 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1v31 h ALA 42 Cb 0.21 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1v31 h ALA 42 CO -0.22 -0.31 0.12 0.54 0.00 0.00 0.00 179.25 179.38 1v31 n ARG 43 N -5.08 2.46 -4.32 0.00 5.12 0.24 -4.87 116.66 110.21 1v31 n ARG 43 Ca 0.18 -1.55 -0.33 0.00 -1.93 0.00 0.00 57.85 54.22 1v31 n ARG 43 Cb 0.54 -1.78 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1v31 n LYS 44 N 0.08 -1.30 -0.00 5.56 5.02 0.48 -4.79 118.16 123.20 1v31 n LYS 44 Ca 0.20 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.60 1v31 n LYS 44 Cb 0.86 -4.05 -0.11 0.00 -0.02 0.00 0.00 35.03 31.70 1v31 n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1v31 n LEU 45 N -4.43 0.77 -4.15 -0.35 4.77 0.16 -4.95 117.00 108.81 1v31 n LEU 45 Ca -0.20 0.35 -0.44 0.00 -0.03 0.00 0.00 56.01 55.69 1v31 n LEU 45 Cb 0.63 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.84 1v31 n LEU 45 CO 0.87 0.27 -0.11 1.67 -1.33 0.00 0.00 177.39 178.75 1v31 n GLN 46 N -2.92 0.00 -3.74 3.23 7.27 -1.25 0.33 117.38 120.30 1v31 n GLN 46 Ca -0.14 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.57 1v31 n GLN 46 Cb 0.94 -0.95 -0.07 0.00 2.41 0.00 0.00 30.24 32.57 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 -0.95 6.29 0.01 1.69 3.84 -0.98 -4.58 114.94 120.26 1v31 s ASN 47 Ca 0.60 0.33 -0.20 0.00 0.21 0.00 0.00 52.86 53.80 1v31 s ASN 47 Cb -0.81 -2.10 -0.22 0.00 -0.55 0.00 0.00 41.25 37.57 1v31 s ASN 47 CO 0.55 0.23 1.13 1.55 -2.79 0.00 0.00 177.10 177.77 1v31 h PRO 48 N 6.23 0.41 -0.56 0.43 0.13 -1.91 -3.26 132.00 133.48 1v31 h PRO 48 Ca -0.45 -0.40 0.09 0.00 -0.87 0.00 0.00 66.00 64.38 1v31 h PRO 48 Cb 1.17 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1v31 h PRO 48 CO 0.71 1.06 0.15 -0.91 -0.23 0.00 0.00 178.00 178.78 1v31 h ASN 49 N -0.09 0.08 -3.20 1.44 4.21 -1.95 -3.38 115.58 112.69 1v31 h ASN 49 Ca -0.06 0.09 -0.54 0.00 1.21 0.00 0.00 56.30 57.00 1v31 h ASN 49 Cb 1.21 0.11 -0.37 0.00 -1.12 0.00 0.00 38.32 38.15 1v31 h ASN 49 CO 0.10 0.06 -0.81 -1.81 -1.29 0.00 0.00 177.43 173.69 1v31 s ASP 50 N -5.34 2.36 0.03 5.81 1.01 -1.23 -4.99 116.67 114.33 1v31 s ASP 50 Ca -0.13 -0.39 0.22 0.00 0.71 0.00 0.00 52.55 52.96 1v31 s ASP 50 Cb 0.16 -0.90 0.93 0.00 1.01 0.00 0.00 42.92 44.12 1v31 s ASP 50 CO 0.74 -0.12 1.70 -0.81 0.21 0.00 0.00 175.17 176.89 1v31 n PRO 51 N 4.91 0.03 -0.00 8.23 -0.04 -1.23 -2.57 135.00 144.32 1v31 n PRO 51 Ca -0.13 0.15 -0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1v31 n PRO 51 Cb 0.50 -1.55 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1v31 n PRO 51 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 52 N -1.61 0.84 -4.97 3.54 7.64 -1.26 -4.90 113.62 112.89 1v31 n SER 52 Ca 0.05 0.39 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 1v31 n SER 52 Cb 0.27 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v31 s PHE 53 N -2.72 3.38 -0.06 1.43 0.08 -1.06 0.19 117.98 119.22 1v31 s PHE 53 Ca -0.04 -0.03 -0.09 0.00 0.12 0.00 0.00 56.93 56.88 1v31 s PHE 53 Cb 0.08 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1v31 s PHE 53 CO 0.82 0.31 0.23 -0.59 -0.10 0.00 0.00 175.22 175.89 1v31 s PHE 54 N -2.05 -0.19 0.86 0.36 -0.12 0.19 -2.33 117.98 114.71 1v31 s PHE 54 Ca 0.37 0.42 -0.11 0.00 -0.05 0.00 0.00 56.93 57.56 1v31 s PHE 54 Cb -0.09 0.06 0.11 0.00 -0.63 0.00 0.00 43.02 42.47 1v31 s PHE 54 CO 0.30 -0.20 1.09 -0.80 -0.05 0.00 0.00 175.22 175.56 1v31 s ASN 55 N -0.41 3.76 0.08 1.98 0.01 0.15 -2.27 114.94 118.25 1v31 s ASN 55 Ca -0.05 1.52 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 1v31 s ASN 55 Cb -0.03 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1v31 s ASN 55 CO 0.01 -2.46 0.22 0.00 -1.51 0.00 0.00 177.10 173.36 1v31 n ASP 57 N 0.09 1.91 0.00 0.00 2.03 -1.26 -5.01 116.55 114.31 1v31 n ASP 57 Ca -0.06 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1v31 n ASP 57 Cb 0.52 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v31 n ALA 58 N -3.84 0.00 0.15 -1.67 0.00 -1.26 -4.94 120.51 108.96 1v31 n ALA 58 Ca -0.42 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.13 1v31 n ALA 58 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 n ALA 59 N 0.00 2.76 0.17 0.00 0.00 -1.26 -3.86 120.51 118.32 1v31 n ALA 59 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1v31 n ALA 59 Cb 0.00 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 18.66 1v31 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v31 h LEU 60 N 0.00 0.00 0.34 0.00 3.38 -1.92 -3.27 115.31 113.83 1v31 h LEU 60 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v31 h LEU 60 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1v31 h LEU 60 CO 0.00 0.43 -0.16 1.56 0.09 0.00 0.00 178.44 180.36 1v31 h GLN 61 N 0.00 -0.44 -1.85 1.13 1.08 -1.84 -0.83 115.11 112.36 1v31 h GLN 61 Ca -0.00 0.03 0.55 0.00 -1.45 0.00 0.00 58.65 57.77 1v31 h GLN 61 Cb 1.13 0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 28.58 1v31 h GLN 61 CO 0.06 -0.29 1.31 1.63 -0.95 0.00 0.00 178.83 180.59 1v31 n LYS 62 N -3.70 -0.01 0.03 1.46 5.02 -1.25 0.19 118.16 119.90 1v31 n LYS 62 Ca -0.06 1.09 -0.02 0.00 -2.02 0.00 0.00 58.31 57.30 1v31 n LYS 62 Cb 0.18 -2.44 -0.01 0.00 -0.02 0.00 0.00 35.03 32.74 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.56 -3.43 116.25 113.15 1v31 h VAL 63 Ca 0.91 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 68.24 1v31 h VAL 63 Cb 3.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1v31 h VAL 63 CO -0.08 0.00 -0.14 -0.26 0.02 0.00 0.00 177.57 177.11 1v31 h PHE 64 N -0.30 0.00 0.00 1.57 0.04 0.98 -3.49 116.94 115.74 1v31 h PHE 64 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1v31 h PHE 64 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1v31 h PHE 64 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1v31 n GLY 65 N 1.78 1.13 3.90 -1.45 0.00 0.49 -5.01 105.19 106.02 1v31 n GLY 65 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 3.46 0.28 1.61 2.02 -1.26 -4.99 118.70 119.65 1v31 s GLU 66 Ca 0.00 -0.27 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1v31 s GLU 66 Cb 0.00 -3.10 0.62 0.00 0.10 0.00 0.00 34.13 31.75 1v31 s GLU 66 CO 0.00 0.68 1.78 1.05 0.02 0.00 0.00 175.26 178.79 1v31 h GLU 67 N 3.96 0.71 -3.98 1.61 4.11 -1.98 -3.44 114.58 115.57 1v31 h GLU 67 Ca -0.50 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 58.79 1v31 h GLU 67 Cb 1.19 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 1v31 h GLU 67 CO 0.67 0.47 -0.48 -1.59 0.07 0.00 0.00 179.01 178.15 1v31 s LYS 68 N -5.92 0.77 0.22 1.06 -2.85 -1.26 -0.54 119.74 111.23 1v31 s LYS 68 Ca -0.12 -1.07 -0.06 0.00 -1.00 0.00 0.00 55.97 53.72 1v31 s LYS 68 Cb 0.23 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.27 1v31 s LYS 68 CO 0.79 -0.22 0.29 -1.17 0.10 0.00 0.00 175.35 175.15 1v31 s LEU 69 N -2.89 0.77 0.53 2.77 0.20 -0.96 -4.93 118.68 114.16 1v31 s LEU 69 Ca 0.07 -1.18 -0.08 0.00 0.69 0.00 0.00 54.13 53.63 1v31 s LEU 69 Cb 0.06 1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 46.80 1v31 s LEU 69 CO -0.10 -0.98 0.88 -0.54 -0.29 0.00 0.00 176.35 175.32 1v31 s LYS 70 N -4.09 3.58 0.18 1.98 1.02 -1.26 -0.64 119.74 120.51 1v31 s LYS 70 Ca 0.31 0.42 0.26 0.00 0.02 0.00 0.00 55.97 56.99 1v31 s LYS 70 Cb 0.03 -2.26 0.88 0.00 -0.52 0.00 0.00 37.83 35.97 1v31 s LYS 70 CO 0.11 -0.33 1.79 1.19 -0.92 0.00 0.00 175.35 177.18 1v31 n PHE 71 N -2.39 0.78 -0.12 3.18 3.72 0.52 -3.26 117.46 119.88 1v31 n PHE 71 Ca 0.03 0.23 -0.17 0.00 -0.05 0.00 0.00 57.45 57.49 1v31 n PHE 71 Cb 0.55 -0.88 -0.11 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.14 1.37 -0.08 4.37 -2.24 -1.26 -4.39 114.28 109.91 1v31 n THR 72 Ca 0.05 -0.52 0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1v31 n THR 72 Cb 0.40 -1.35 0.56 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.01 0.28 -1.18 -0.78 2.86 -1.94 -0.70 114.93 113.45 1v31 h MET 73 Ca -0.54 -0.02 0.40 0.00 -2.06 0.00 0.00 59.70 57.48 1v31 h MET 73 Cb 1.83 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 33.29 1v31 h MET 73 CO -0.09 0.18 0.73 0.28 1.06 0.00 0.00 176.91 179.08 1v31 h VAL 74 N 0.28 0.17 -0.33 -2.22 2.07 -1.75 1.41 116.25 115.88 1v31 h VAL 74 Ca 0.30 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 1v31 h VAL 74 Cb 0.78 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1v31 h VAL 74 CO -0.07 0.03 0.21 -1.28 0.02 0.00 0.00 177.57 176.48 1v31 h SER 75 N 0.15 0.39 -0.46 0.57 0.87 -1.40 1.42 113.55 115.08 1v31 h SER 75 Ca 0.79 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 61.12 1v31 h SER 75 Cb 2.25 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 64.00 1v31 h SER 75 CO -0.50 0.31 0.24 0.00 -0.53 0.00 0.00 176.83 176.35 1v31 n GLN 76 N -4.83 2.11 0.00 2.24 10.64 0.47 -3.04 117.38 124.97 1v31 n GLN 76 Ca -0.01 -1.62 0.00 0.00 -1.83 0.00 0.00 57.00 53.54 1v31 n GLN 76 Cb 0.04 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 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 -0.15 0.00 0.00 2.61 4.76 -0.27 -4.82 118.16 120.29 1v31 n LYS 77 Ca 0.26 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.67 1v31 n LYS 77 Cb 1.01 -0.13 0.20 0.00 -1.84 0.00 0.00 35.03 34.27 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 1.26 -0.87 -0.18 -0.00 0.18 -3.13 117.51 114.76 1v31 h ILE 78 Ca 0.00 -1.23 0.10 0.00 -0.00 0.00 0.00 64.86 63.73 1v31 h ILE 78 Cb 0.25 1.30 -0.12 0.00 -0.00 0.00 0.00 36.82 38.24 1v31 h ILE 78 CO 0.00 0.39 -0.52 0.77 -0.00 0.00 0.00 178.15 178.80 1v31 h SER 79 N 0.45 -1.86 -0.94 2.16 4.64 -1.68 1.18 113.55 117.50 1v31 h SER 79 Ca 0.07 0.30 0.28 0.00 -0.47 0.00 0.00 61.79 61.97 1v31 h SER 79 Cb 0.64 0.85 -0.15 0.00 -0.31 0.00 0.00 62.40 63.43 1v31 h SER 79 CO 0.05 -0.28 0.34 -0.74 -0.87 0.00 0.00 176.83 175.33 1v31 h HIS 80 N -0.08 0.53 -0.22 4.77 -0.00 -1.85 1.41 115.15 119.71 1v31 h HIS 80 Ca 0.20 0.05 -0.16 0.00 -0.00 0.00 0.00 60.37 60.46 1v31 h HIS 80 Cb 0.50 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1v31 h HIS 80 CO -0.91 -0.25 -0.51 0.45 -0.00 0.00 0.00 177.93 176.71 1v31 h HIS 81 N 0.21 0.76 -3.11 5.26 3.86 0.99 -3.44 115.15 119.67 1v31 h HIS 81 Ca 0.64 -0.26 -0.56 0.00 -1.16 0.00 0.00 60.37 59.03 1v31 h HIS 81 Cb 1.39 -0.15 0.09 0.00 1.06 0.00 0.00 27.41 29.80 1v31 h HIS 81 CO -0.19 0.99 0.70 1.28 0.86 0.00 0.00 177.93 181.57 1v31 n LEU 82 N -3.98 3.76 -4.07 2.43 4.77 0.48 -4.45 117.00 115.94 1v31 n LEU 82 Ca -0.03 1.16 -0.08 0.00 -0.03 0.00 0.00 56.01 57.03 1v31 n LEU 82 Cb 0.59 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 1v31 n LEU 82 CO 0.47 -0.22 -0.29 -0.44 -1.33 0.00 0.00 177.39 175.59 1v31 s SER 83 N 0.21 0.37 -0.03 -1.43 0.01 -1.09 -4.93 113.70 106.80 1v31 s SER 83 Ca 0.63 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 1v31 s SER 83 Cb -0.57 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1v31 s SER 83 CO 0.53 -0.67 1.21 -2.16 0.41 0.00 0.00 173.24 172.56 1v31 s PRO 84 N -3.95 4.36 0.98 12.44 0.04 -1.26 0.18 135.00 147.79 1v31 s PRO 84 Ca 0.12 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1v31 s PRO 84 Cb 0.07 -3.53 0.18 0.00 0.04 0.00 0.00 34.50 31.26 1v31 s PRO 84 CO -0.06 -0.42 1.17 -1.25 0.04 0.00 0.00 177.00 176.48 1v31 s PRO 85 N 2.04 0.57 -0.33 0.56 0.04 -1.26 -4.68 135.00 131.94 1v31 s PRO 85 Ca 0.57 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1v31 s PRO 85 Cb -0.26 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1v31 s PRO 85 CO 0.23 -2.54 1.36 -1.25 0.04 0.00 0.00 177.00 174.84 1v31 s PRO 86 N -5.43 3.80 0.86 0.56 0.04 -1.26 -5.01 135.00 128.56 1v31 s PRO 86 Ca 0.67 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 1v31 s PRO 86 Cb -0.11 -3.94 0.10 0.00 0.04 0.00 0.00 34.50 30.59 1v31 s PRO 86 CO 0.54 -1.27 1.12 -1.25 0.04 0.00 0.00 177.00 176.18 1v31 s PRO 87 N 4.44 1.61 -0.25 0.56 0.04 -1.26 -5.05 135.00 135.08 1v31 s PRO 87 Ca 0.59 0.46 0.02 0.00 0.04 0.00 0.00 61.00 62.10 1v31 s PRO 87 Cb -0.16 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1v31 s PRO 87 CO 0.26 -1.91 -0.10 -1.12 0.04 0.00 0.00 177.00 174.17 1v31 s SER 88 N -3.97 4.31 0.00 6.66 0.01 -1.26 -5.04 113.70 114.41 1v31 s SER 88 Ca 0.62 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1v31 s SER 88 Cb -0.15 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1v31 s SER 88 CO 0.54 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1v31 n GLY 89 N 4.51 2.00 3.81 3.44 0.00 -1.26 -5.07 105.19 112.62 1v31 n GLY 89 Ca -0.15 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.76 3.20 0.19 1.61 0.04 -1.26 -5.08 135.00 131.94 1v31 s PRO 90 Ca 0.00 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 1v31 s PRO 90 Cb 0.00 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1v31 s PRO 90 CO 0.00 -0.90 0.30 -1.12 0.04 0.00 0.00 177.00 175.33 1v31 s SER 91 N -3.26 0.03 0.30 6.66 0.01 -1.26 -5.08 113.70 111.10 1v31 s SER 91 Ca 0.61 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1v31 s SER 91 Cb -0.15 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1v31 s SER 91 CO 0.45 -0.94 0.00 -1.20 0.41 0.00 0.00 173.24 171.96 1v31 n SER 92 N -0.26 -1.17 -0.40 2.44 7.64 -1.26 -5.30 113.62 115.31 1v31 n SER 92 Ca -0.05 0.54 0.05 0.00 1.01 0.00 0.00 58.87 60.43 1v31 n SER 92 Cb 0.63 1.26 0.04 0.00 -1.01 0.00 0.00 64.21 65.13 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64