#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd h SER 2 N 0.00 -1.05 -5.84 1.61 4.64 -2.07 -3.48 113.55 107.36 1wfd h SER 2 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1wfd h SER 2 Cb 0.00 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1wfd h SER 2 CO 0.00 -0.72 -0.97 -0.24 -0.87 0.00 0.00 176.83 174.03 1wfd n SER 3 N -5.60 -6.97 0.00 4.97 2.88 -1.26 -4.46 113.62 103.19 1wfd n SER 3 Ca -0.15 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1wfd n SER 3 Cb 0.47 -3.14 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 4 N 1.15 2.67 2.58 0.46 0.00 -1.26 -4.89 105.19 105.89 1wfd n GLY 4 Ca -0.02 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 1wfd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfd n SER 5 N 3.73 -6.79 -3.35 1.61 2.88 -1.26 -4.38 113.62 106.05 1wfd n SER 5 Ca 0.00 0.47 -0.23 0.00 -1.33 0.00 0.00 58.87 57.78 1wfd n SER 5 Cb 0.00 -4.54 0.02 0.00 -0.75 0.00 0.00 64.21 58.95 1wfd n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfd n SER 6 N -0.30 -6.03 -0.05 -3.46 2.88 -1.26 -4.95 113.62 100.44 1wfd n SER 6 Ca 0.09 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1wfd n SER 6 Cb 0.35 -1.86 -0.03 0.00 -0.75 0.00 0.00 64.21 61.92 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 7 N 0.36 -0.33 3.30 0.46 0.00 -1.26 -4.97 105.19 102.75 1wfd n GLY 7 Ca -0.05 -0.17 -0.60 0.00 0.00 0.00 0.00 46.02 45.20 1wfd n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfd n GLN 8 N -4.01 0.00 -2.71 1.61 10.64 -1.26 -4.78 117.38 116.88 1wfd n GLN 8 Ca -0.17 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 54.93 1wfd n GLN 8 Cb 0.46 -1.44 0.10 0.00 -0.86 0.00 0.00 30.24 28.49 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wfd n ASP 9 N 5.96 -1.94 -4.04 2.61 8.00 -1.26 -5.11 116.55 120.77 1wfd n ASP 9 Ca 0.44 -3.04 -0.37 0.00 0.71 0.00 0.00 54.79 52.54 1wfd n ASP 9 Cb -0.05 1.65 0.02 0.00 -0.02 0.00 0.00 41.12 42.72 1wfd n ASP 9 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wfd n SER 10 N 0.40 -3.99 0.00 -2.24 3.41 -1.26 -1.21 113.62 108.72 1wfd n SER 10 Ca 0.02 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1wfd n SER 10 Cb 0.72 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1wfd n SER 10 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wfd n ASP 11 N 2.61 0.00 0.09 4.04 2.03 -1.26 -4.15 116.55 119.91 1wfd n ASP 11 Ca 0.06 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.57 1wfd n ASP 11 Cb 0.47 0.00 0.67 0.00 -0.72 0.00 0.00 41.12 41.54 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1wfd h SER 12 N 0.00 0.00 0.02 1.67 0.02 -1.70 -0.54 113.55 113.03 1wfd h SER 12 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1wfd h SER 12 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1wfd h SER 12 CO 0.00 0.00 -0.37 0.74 -1.14 0.00 0.00 176.83 176.06 1wfd h THR 13 N 0.00 0.22 -1.30 -2.27 2.02 -1.32 0.15 112.91 110.41 1wfd h THR 13 Ca 0.20 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.78 1wfd h THR 13 Cb 1.39 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 67.91 1wfd h THR 13 CO -0.00 0.00 0.86 0.00 0.37 0.00 0.00 175.52 176.75 1wfd h ALA 14 N 0.07 2.76 -0.10 6.16 0.00 -1.41 1.21 119.26 127.96 1wfd h ALA 14 Ca 0.05 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wfd h ALA 14 Cb 0.62 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wfd h ALA 14 CO -0.28 -1.30 -0.12 0.00 0.00 0.00 0.00 179.25 177.55 1wfd h ALA 15 N 1.53 0.15 -1.00 0.00 0.00 -0.87 0.24 119.26 119.31 1wfd h ALA 15 Ca 0.75 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.46 1wfd h ALA 15 Cb 2.39 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 20.06 1wfd h ALA 15 CO -0.31 0.01 0.63 0.28 0.00 0.00 0.00 179.25 179.87 1wfd h VAL 16 N -0.16 0.93 0.39 0.00 2.07 0.27 1.44 116.25 121.19 1wfd h VAL 16 Ca 0.01 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1wfd h VAL 16 Cb 0.65 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1wfd h VAL 16 CO 0.03 0.18 -0.19 0.00 0.02 0.00 0.00 177.57 177.62 1wfd h ALA 17 N 1.53 -0.56 -0.99 1.67 0.00 -0.71 0.42 119.26 120.62 1wfd h ALA 17 Ca 0.49 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.53 1wfd h ALA 17 Cb 0.47 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1wfd h ALA 17 CO -0.26 -0.52 0.64 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.05 0.60 -0.37 0.00 3.04 -0.19 0.67 116.25 118.96 1wfd h VAL 18 Ca -0.05 -0.15 -0.16 0.00 -1.01 0.00 0.00 66.70 65.33 1wfd h VAL 18 Cb 0.40 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1wfd h VAL 18 CO 0.09 0.08 -0.38 -0.07 -1.01 0.00 0.00 177.57 176.28 1wfd h LEU 19 N 0.45 0.97 0.09 3.16 3.38 0.20 -0.53 115.31 123.03 1wfd h LEU 19 Ca 0.55 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wfd h LEU 19 Cb 1.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1wfd h LEU 19 CO -0.27 1.24 -0.04 0.50 0.09 0.00 0.00 178.44 179.96 1wfd h LYS 20 N 0.71 -0.12 -0.22 1.13 1.63 0.24 -2.13 116.57 117.83 1wfd h LYS 20 Ca 0.06 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1wfd h LYS 20 Cb 0.97 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 1wfd h LYS 20 CO 0.09 0.01 0.06 0.00 -3.45 0.00 0.00 179.45 176.16 1wfd h ARG 21 N -0.22 0.15 -0.34 1.90 2.47 -0.46 -2.82 114.38 115.05 1wfd h ARG 21 Ca -0.01 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1wfd h ARG 21 Cb 0.18 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 1wfd h ARG 21 CO 0.02 0.10 -0.48 0.00 0.56 0.00 0.00 179.97 180.17 1wfd h ALA 22 N 1.15 -0.72 -0.96 0.04 0.00 -0.92 -0.20 119.26 117.66 1wfd h ALA 22 Ca 0.10 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1wfd h ALA 22 Cb 0.08 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 1wfd h ALA 22 CO -0.11 -0.95 -0.49 0.28 0.00 0.00 0.00 179.25 177.97 1wfd n VAL 23 N -4.99 -0.60 -0.06 0.00 0.31 -0.82 0.41 118.33 112.59 1wfd n VAL 23 Ca -0.03 2.29 -0.14 0.00 -0.01 0.00 0.00 64.34 66.44 1wfd n VAL 23 Cb 0.29 -2.89 -0.09 0.00 -0.91 0.00 0.00 33.84 30.23 1wfd n VAL 23 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1wfd h GLU 24 N 0.00 -0.48 -0.90 5.55 4.39 -0.87 0.24 114.58 122.50 1wfd h GLU 24 Ca 0.22 0.03 0.19 0.00 0.34 0.00 0.00 59.36 60.14 1wfd h GLU 24 Cb 0.46 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 1wfd h GLU 24 CO -0.92 -0.32 0.45 -0.07 -1.16 0.00 0.00 179.01 176.99 1wfd h LEU 25 N -0.50 0.49 -1.71 1.33 3.38 0.10 1.26 115.31 119.66 1wfd h LEU 25 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wfd h LEU 25 Cb 0.65 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1wfd h LEU 25 CO -0.50 0.12 0.20 -0.78 0.09 0.00 0.00 178.44 177.57 1wfd h ASP 26 N 0.54 0.34 1.32 -0.43 3.58 0.30 0.36 116.42 122.43 1wfd h ASP 26 Ca 0.53 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.92 1wfd h ASP 26 Cb 0.91 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1wfd h ASP 26 CO -0.44 0.25 -0.70 0.00 -2.88 0.00 0.00 179.24 175.46 1wfd h ALA 27 N 1.81 0.70 -0.01 -0.78 0.00 0.39 -3.17 119.26 118.21 1wfd h ALA 27 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wfd h ALA 27 Cb -0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wfd h ALA 27 CO -0.02 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.95 1wfd n GLU 28 N -2.96 1.36 -0.95 0.00 -0.58 0.31 -4.87 120.64 112.96 1wfd n GLU 28 Ca -0.00 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 1wfd n GLU 28 Cb 0.65 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1wfd n GLU 28 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfd n SER 29 N -0.36 -1.20 -3.20 1.62 7.64 -0.11 -4.90 113.62 113.11 1wfd n SER 29 Ca 0.21 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 1wfd n SER 29 Cb 0.24 -0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1wfd n SER 29 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfd n ARG 30 N -2.13 3.89 -0.22 1.43 1.74 0.10 -4.68 116.66 116.80 1wfd n ARG 30 Ca 0.00 -2.78 0.02 0.00 -0.77 0.00 0.00 57.85 54.31 1wfd n ARG 30 Cb 0.03 -2.58 0.13 0.00 -1.02 0.00 0.00 32.46 29.02 1wfd n ARG 30 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1wfd h TYR 31 N 4.41 0.46 -0.01 -1.55 0.05 -1.88 0.61 116.97 119.05 1wfd h TYR 31 Ca 0.68 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1wfd h TYR 31 Cb 0.43 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1wfd h TYR 31 CO 1.69 0.10 0.36 0.37 -1.05 0.00 0.00 178.16 179.63 1wfd h GLN 32 N 0.44 0.00 0.00 4.88 -0.00 -1.94 0.59 115.11 119.08 1wfd h GLN 32 Ca 0.34 0.00 -0.41 0.00 -0.00 0.00 0.00 58.65 58.59 1wfd h GLN 32 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.87 1wfd h GLN 32 CO -0.33 0.00 -2.38 1.04 0.00 0.00 0.00 178.83 177.16 1wfd n GLN 33 N -2.90 0.53 -0.14 1.69 6.02 0.13 -4.04 117.38 118.68 1wfd n GLN 33 Ca -0.02 0.22 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 1wfd n GLN 33 Cb 0.41 -1.39 0.49 0.00 1.02 0.00 0.00 30.24 30.76 1wfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wfd h ALA 34 N -0.75 2.04 0.68 -1.58 0.00 0.88 -0.41 119.26 120.12 1wfd h ALA 34 Ca -0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1wfd h ALA 34 Cb 1.59 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1wfd h ALA 34 CO -0.33 -0.21 -0.33 1.25 0.00 0.00 0.00 179.25 179.63 1wfd h LEU 35 N 0.45 -0.77 -0.32 0.00 7.12 -0.06 0.40 115.31 122.13 1wfd h LEU 35 Ca 0.33 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.40 1wfd h LEU 35 Cb 0.68 0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 40.93 1wfd h LEU 35 CO -0.10 -0.45 -0.35 0.58 -0.13 0.00 0.00 178.44 177.98 1wfd h VAL 36 N -1.08 0.21 0.27 1.05 2.07 -1.47 0.53 116.25 117.83 1wfd h VAL 36 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1wfd h VAL 36 Cb 0.73 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1wfd h VAL 36 CO 0.15 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.27 1wfd h TYR 38 N -0.81 0.49 0.01 0.00 0.05 0.83 0.24 116.97 117.78 1wfd h TYR 38 Ca -0.02 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1wfd h TYR 38 Cb 0.77 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1wfd h TYR 38 CO -0.34 -0.19 -0.00 1.96 -1.05 0.00 0.00 178.16 178.54 1wfd h GLN 39 N 0.25 -0.01 -0.49 4.88 1.08 0.13 0.70 115.11 121.64 1wfd h GLN 39 Ca 0.59 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.88 1wfd h GLN 39 Cb 1.22 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.57 1wfd h GLN 39 CO -0.64 0.03 0.05 0.93 -0.95 0.00 0.00 178.83 178.26 1wfd h GLU 40 N -0.05 0.17 -0.10 1.46 5.08 0.14 0.34 114.58 121.62 1wfd h GLU 40 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wfd h GLU 40 Cb 0.05 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wfd h GLU 40 CO 0.00 0.11 0.06 0.78 -1.00 0.00 0.00 179.01 178.96 1wfd h GLY 41 N 0.17 0.15 0.57 -3.84 0.00 -0.82 -0.19 103.07 99.12 1wfd h GLY 41 Ca 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1wfd h GLY 41 CO -0.37 0.06 -0.31 -2.22 0.00 0.00 0.00 176.54 173.71 1wfd h ILE 42 N 0.07 0.35 -0.68 2.60 2.04 -0.04 0.76 117.51 122.62 1wfd h ILE 42 Ca 0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.03 1wfd h ILE 42 Cb 0.06 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 1wfd h ILE 42 CO -0.01 0.00 0.16 0.44 0.00 0.00 0.00 178.15 178.75 1wfd h ASP 43 N -0.59 0.03 -0.02 1.72 5.19 -0.24 0.80 116.42 123.31 1wfd h ASP 43 Ca 0.01 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1wfd h ASP 43 Cb 0.57 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1wfd h ASP 43 CO -0.11 -0.00 0.01 0.24 -3.12 0.00 0.00 179.24 176.25 1wfd h MET 44 N 0.28 0.03 0.19 3.56 2.86 -0.16 -2.73 114.93 118.96 1wfd h MET 44 Ca 0.37 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1wfd h MET 44 Cb 0.59 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1wfd h MET 44 CO -0.45 0.16 -0.19 -0.07 1.06 0.00 0.00 176.91 177.42 1wfd h LEU 45 N -0.11 -0.50 -0.95 1.22 3.38 0.19 -0.54 115.31 117.99 1wfd h LEU 45 Ca 0.01 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1wfd h LEU 45 Cb 0.14 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.92 1wfd h LEU 45 CO -0.00 -0.28 -0.42 0.18 0.09 0.00 0.00 178.44 178.01 1wfd n LEU 46 N -5.31 -0.71 -0.34 1.67 4.77 0.26 0.19 117.00 117.52 1wfd n LEU 46 Ca -0.08 1.67 -0.03 0.00 -0.03 0.00 0.00 56.01 57.54 1wfd n LEU 46 Cb 0.23 -0.34 0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1wfd n LEU 46 CO 0.30 -1.47 1.23 1.56 -1.33 0.00 0.00 177.39 177.68 1wfd h GLN 47 N 0.00 1.25 0.29 3.23 4.20 -1.14 -0.64 115.11 122.29 1wfd h GLN 47 Ca 0.29 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1wfd h GLN 47 Cb 0.53 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1wfd h GLN 47 CO -0.94 0.86 -0.19 0.28 -0.67 0.00 0.00 178.83 178.18 1wfd h VAL 48 N 1.27 0.59 -0.32 -0.54 2.07 0.36 -2.54 116.25 117.15 1wfd h VAL 48 Ca 0.33 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.92 1wfd h VAL 48 Cb -0.07 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1wfd h VAL 48 CO -0.06 0.00 -0.09 0.25 0.02 0.00 0.00 177.57 177.69 1wfd h LEU 49 N -0.47 -0.31 -1.38 2.57 5.85 0.98 0.17 115.31 122.72 1wfd h LEU 49 Ca -0.03 0.10 0.39 0.00 0.84 0.00 0.00 57.88 59.19 1wfd h LEU 49 Cb 0.40 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.51 1wfd h LEU 49 CO 0.02 -0.11 0.80 0.11 -0.34 0.00 0.00 178.44 178.91 1wfd h LYS 50 N -0.01 0.15 -1.03 1.25 1.79 -0.75 1.41 116.57 119.38 1wfd h LYS 50 Ca 0.16 -0.01 -0.64 0.00 -2.18 0.00 0.00 60.65 57.97 1wfd h LYS 50 Cb 0.24 -0.03 -0.34 0.00 -1.58 0.00 0.00 32.23 30.52 1wfd h LYS 50 CO -0.34 0.10 0.29 0.41 -1.08 0.00 0.00 179.45 178.83 1wfd n GLY 51 N -1.50 6.02 2.76 3.86 0.00 0.58 -4.85 105.19 112.06 1wfd n GLY 51 Ca 0.34 -2.46 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 1wfd n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wfd s THR 52 N -4.81 1.27 0.17 2.61 2.01 0.48 -4.95 115.64 112.41 1wfd s THR 52 Ca 0.59 -2.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.56 1wfd s THR 52 Cb 0.47 -1.92 -0.12 0.00 0.01 0.00 0.00 72.50 70.94 1wfd s THR 52 CO -0.04 -0.76 1.41 0.11 -0.69 0.00 0.00 174.62 174.65 1wfd h LYS 53 N 7.45 0.42 -5.95 4.92 1.57 -1.89 -3.42 116.57 119.67 1wfd h LYS 53 Ca -0.07 -0.36 -0.75 0.00 -1.87 0.00 0.00 60.65 57.60 1wfd h LYS 53 Cb 0.98 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1wfd h LYS 53 CO 0.48 1.00 1.35 0.39 -0.57 0.00 0.00 179.45 182.10 1wfd n GLU 54 N -3.83 0.06 -0.19 3.15 1.02 -1.26 -4.74 120.64 114.85 1wfd n GLU 54 Ca -0.05 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1wfd n GLU 54 Cb 0.72 -1.56 0.43 0.00 -0.02 0.00 0.00 31.44 31.02 1wfd n GLU 54 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wfd h SER 55 N 9.35 0.52 0.32 1.62 4.64 -2.00 -0.65 113.55 127.36 1wfd h SER 55 Ca -0.11 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1wfd h SER 55 Cb 1.41 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1wfd h SER 55 CO 1.10 0.29 -0.16 0.28 -0.87 0.00 0.00 176.83 177.48 1wfd h SER 56 N 0.57 -0.37 -0.96 4.97 0.02 -1.97 -3.10 113.55 112.71 1wfd h SER 56 Ca 0.36 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.41 1wfd h SER 56 Cb 0.63 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 63.15 1wfd h SER 56 CO -0.13 -0.03 -0.58 0.11 -1.14 0.00 0.00 176.83 175.05 1wfd h LYS 57 N -0.90 -0.02 -0.99 3.45 1.57 -1.86 1.24 116.57 119.06 1wfd h LYS 57 Ca -0.04 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.09 1wfd h LYS 57 Cb 0.33 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.48 1wfd h LYS 57 CO 0.07 -0.01 0.41 0.00 -0.57 0.00 0.00 179.45 179.35 1wfd h ARG 58 N -0.02 0.08 0.37 3.15 3.08 -1.23 1.57 114.38 121.37 1wfd h ARG 58 Ca 0.15 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1wfd h ARG 58 Cb 0.42 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1wfd h ARG 58 CO -0.91 0.05 -0.18 0.00 -1.07 0.00 0.00 179.97 177.87 1wfd h VAL 60 N -0.54 0.85 0.13 0.00 2.07 0.20 -0.17 116.25 118.78 1wfd h VAL 60 Ca -0.05 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1wfd h VAL 60 Cb 0.41 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1wfd h VAL 60 CO 0.08 0.02 -0.28 -0.07 0.02 0.00 0.00 177.57 177.34 1wfd h LEU 61 N -0.26 -0.82 -1.64 2.57 3.38 0.19 1.10 115.31 119.83 1wfd h LEU 61 Ca -0.02 0.08 0.36 0.00 0.09 0.00 0.00 57.88 58.39 1wfd h LEU 61 Cb 0.20 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1wfd h LEU 61 CO 0.04 -0.32 0.84 0.03 0.09 0.00 0.00 178.44 179.13 1wfd h ARG 62 N -0.44 0.15 0.03 1.13 3.08 0.53 1.69 114.38 120.54 1wfd h ARG 62 Ca -0.01 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1wfd h ARG 62 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1wfd h ARG 62 CO -0.12 0.10 -0.97 1.15 -1.07 0.00 0.00 179.97 179.06 1wfd h THR 63 N 0.15 1.52 0.17 2.04 2.02 0.90 -2.79 112.91 116.92 1wfd h THR 63 Ca 0.67 -2.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.04 1wfd h THR 63 Cb 2.22 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 71.24 1wfd h THR 63 CO -0.20 0.82 -0.08 0.11 0.37 0.00 0.00 175.52 176.53 1wfd h LYS 64 N 0.10 -0.22 -0.22 6.66 1.57 1.07 -1.83 116.57 123.69 1wfd h LYS 64 Ca -0.06 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.64 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 1wfd h LYS 64 CO 0.15 -0.07 -0.23 0.82 -0.57 0.00 0.00 179.45 179.55 1wfd h ILE 65 N -1.04 0.00 -0.61 1.86 2.04 0.63 0.45 117.51 120.83 1wfd h ILE 65 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1wfd h ILE 65 Cb 0.26 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.24 1wfd h ILE 65 CO 0.04 0.00 0.03 -1.28 0.00 0.00 0.00 178.15 176.94 1wfd h SER 66 N -0.12 -0.20 -0.84 1.72 0.87 -1.65 0.49 113.55 113.81 1wfd h SER 66 Ca 0.04 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.93 1wfd h SER 66 Cb 0.22 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1wfd h SER 66 CO -0.27 -0.09 0.56 1.23 -0.53 0.00 0.00 176.83 177.74 1wfd h GLY 67 N 0.15 0.74 1.10 5.77 0.00 -0.07 0.63 103.07 111.39 1wfd h GLY 67 Ca 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1wfd h GLY 67 CO -0.50 0.02 -0.63 -1.72 0.00 0.00 0.00 176.54 173.71 1wfd n TYR 68 N -4.48 0.44 -0.05 5.60 4.01 0.14 -3.58 117.16 119.24 1wfd n TYR 68 Ca 0.17 0.13 -0.18 0.00 -0.16 0.00 0.00 57.90 57.86 1wfd n TYR 68 Cb 0.66 -0.57 -0.13 0.00 -0.31 0.00 0.00 39.34 38.98 1wfd n TYR 68 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 1wfd h MET 69 N 0.00 0.09 -0.37 -0.72 2.86 0.41 -2.64 114.93 114.57 1wfd h MET 69 Ca 0.00 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1wfd h MET 69 Cb 0.70 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1wfd h MET 69 CO 0.00 1.08 0.15 0.22 1.06 0.00 0.00 176.91 179.42 1wfd h ASP 70 N -0.76 0.20 -0.20 1.22 1.82 -0.68 0.95 116.42 118.97 1wfd h ASP 70 Ca -0.17 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1wfd h ASP 70 Cb 1.33 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.33 1wfd h ASP 70 CO -0.02 0.15 0.10 -0.09 -1.61 0.00 0.00 179.24 177.77 1wfd h ARG 71 N 0.32 0.28 0.19 0.28 9.65 -1.71 -0.75 114.38 122.65 1wfd h ARG 71 Ca 0.16 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1wfd h ARG 71 Cb 0.11 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1wfd h ARG 71 CO -0.14 0.29 -0.09 0.00 2.80 0.00 0.00 179.97 182.83 1wfd h ALA 72 N 0.97 -0.26 -0.02 2.80 0.00 -1.04 -2.10 119.26 119.61 1wfd h ALA 72 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wfd h ALA 72 Cb 0.10 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1wfd h ALA 72 CO -0.01 -0.64 -0.18 0.93 0.00 0.00 0.00 179.25 179.35 1wfd h GLU 73 N -0.29 -0.21 -1.00 0.00 5.08 0.11 1.02 114.58 119.29 1wfd h GLU 73 Ca -0.03 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.73 1wfd h GLU 73 Cb 0.22 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.34 1wfd h GLU 73 CO 0.04 -0.14 0.45 -0.91 -1.00 0.00 0.00 179.01 177.46 1wfd h ASN 74 N -0.21 0.19 0.53 1.42 2.35 -1.12 1.03 115.58 119.76 1wfd h ASN 74 Ca 0.01 0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.99 1wfd h ASN 74 Cb 0.24 0.30 0.01 0.00 0.05 0.00 0.00 38.32 38.91 1wfd h ASN 74 CO -0.13 -0.41 -0.25 0.40 -1.65 0.00 0.00 177.43 175.39 1wfd h ILE 75 N 0.02 0.19 -0.48 2.81 2.04 -0.25 -2.01 117.51 119.82 1wfd h ILE 75 Ca 0.80 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1wfd h ILE 75 Cb 2.03 0.28 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 1wfd h ILE 75 CO -0.79 0.03 -0.23 0.11 0.00 0.00 0.00 178.15 177.28 1wfd h LYS 76 N -1.10 -0.12 -0.62 2.37 1.57 0.57 1.80 116.57 121.04 1wfd h LYS 76 Ca -0.07 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.90 1wfd h LYS 76 Cb 0.60 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1wfd h LYS 76 CO 0.12 -0.08 0.45 0.87 -0.57 0.00 0.00 179.45 180.24 1wfd h LYS 77 N -0.12 0.00 0.00 3.15 6.56 0.80 1.00 116.57 127.96 1wfd h LYS 77 Ca 0.22 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.71 1wfd h LYS 77 Cb 0.47 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 1wfd h LYS 77 CO -0.56 0.00 -1.16 -0.92 -2.06 0.00 0.00 179.45 174.76 1wfd h TYR 78 N 0.00 0.00 0.20 -1.35 3.20 0.19 -3.23 116.97 115.98 1wfd h TYR 78 Ca 0.30 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.85 1wfd h TYR 78 Cb 1.19 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.49 1wfd h TYR 78 CO 0.00 0.38 -1.37 -0.07 -1.64 0.00 0.00 178.16 175.46 1wfd h LEU 79 N 0.00 0.75 -0.79 2.82 3.38 0.71 -0.32 115.31 121.87 1wfd h LEU 79 Ca -0.09 -0.78 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 1wfd h LEU 79 Cb 1.37 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1wfd h LEU 79 CO 0.03 1.60 0.41 0.44 0.09 0.00 0.00 178.44 181.02 1wfd h ASP 80 N 0.16 1.00 -0.04 -0.43 3.32 0.62 -0.73 116.42 120.30 1wfd h ASP 80 Ca -0.21 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1wfd h ASP 80 Cb 2.07 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 41.37 1wfd h ASP 80 CO 0.25 0.82 -0.57 0.06 -1.72 0.00 0.00 179.24 178.09 1wfd h GLN 81 N 1.10 0.46 -0.26 3.56 3.07 -1.60 -3.09 115.11 118.34 1wfd h GLN 81 Ca 0.27 -0.44 0.08 0.00 0.09 0.00 0.00 58.65 58.65 1wfd h GLN 81 Cb 0.06 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1wfd h GLN 81 CO -0.04 1.08 0.24 0.93 0.09 0.00 0.00 178.83 181.14 1wfd h GLU 82 N -0.00 0.00 -0.22 0.06 4.39 -0.80 0.11 114.58 118.13 1wfd h GLU 82 Ca -0.06 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.47 1wfd h GLU 82 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1wfd h GLU 82 CO 0.11 0.00 -0.54 0.87 -1.16 0.00 0.00 179.01 178.30 1wfd h LYS 83 N 0.00 0.75 0.00 2.33 1.57 -1.06 -2.72 116.57 117.43 1wfd h LYS 83 Ca 0.13 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1wfd h LYS 83 Cb 0.61 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1wfd h LYS 83 CO -0.00 1.14 0.00 0.93 -0.57 0.00 0.00 179.45 180.95 1wfd h GLU 84 N 0.47 0.00 -0.20 3.15 5.08 -0.72 0.14 114.58 122.51 1wfd h GLU 84 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wfd h GLU 84 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wfd h GLU 84 CO 0.12 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.88 1wfd n ASP 85 N -2.67 1.09 0.00 1.42 8.00 -0.96 -3.78 116.55 119.65 1wfd n ASP 85 Ca -0.01 -1.99 0.09 0.00 0.71 0.00 0.00 54.79 53.59 1wfd n ASP 85 Cb 0.13 -0.13 0.52 0.00 -0.02 0.00 0.00 41.12 41.61 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfd n GLY 86 N 0.83 -0.61 0.03 0.44 0.00 0.50 -4.21 105.19 102.17 1wfd n GLY 86 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1wfd n GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wfd n LYS 87 N -0.94 -0.04 -2.08 1.61 5.02 -1.25 -2.21 118.16 118.27 1wfd n LYS 87 Ca 0.13 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.56 1wfd n LYS 87 Cb 0.06 -0.63 -0.05 0.00 -0.02 0.00 0.00 35.03 34.39 1wfd n LYS 87 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wfd s SER 88 N -3.47 5.19 0.00 4.39 1.04 -1.26 -4.48 113.70 115.11 1wfd s SER 88 Ca -0.01 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1wfd s SER 88 Cb 0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1wfd s SER 88 CO 0.05 -2.76 0.00 0.61 0.98 0.00 0.00 173.24 172.12 1wfd n GLY 89 N 6.53 3.10 3.74 7.32 0.00 -0.94 -5.08 105.19 119.87 1wfd n GLY 89 Ca 0.41 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1wfd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfd s PRO 90 N -4.69 4.57 -0.11 1.61 0.04 -1.26 -4.79 135.00 130.37 1wfd s PRO 90 Ca 0.00 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1wfd s PRO 90 Cb 0.00 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1wfd s PRO 90 CO 0.00 0.04 -0.23 0.43 0.04 0.00 0.00 177.00 177.28 1wfd n SER 91 N 2.38 1.57 0.23 6.66 7.64 -1.26 -5.06 113.62 125.79 1wfd n SER 91 Ca 0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wfd n SER 91 Cb 0.46 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1wfd n SER 91 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfd n SER 92 N -4.06 -4.13 0.00 6.43 3.41 -1.26 -5.28 113.62 108.73 1wfd n SER 92 Ca -0.16 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1wfd n SER 92 Cb 0.44 3.84 0.00 0.00 -0.26 0.00 0.00 64.21 68.23 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49