#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd n SER 2 N 0.00 -0.24 0.08 1.61 2.88 -1.26 -5.03 113.62 111.67 1wfd n SER 2 Ca 0.00 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1wfd n SER 2 Cb 0.00 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1wfd n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfd n SER 3 N -2.88 0.34 0.00 -3.46 2.88 -1.26 -5.11 113.62 104.13 1wfd n SER 3 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wfd n SER 3 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 2.40 1.00 3.60 0.46 0.00 -1.26 -5.16 105.19 106.24 1wfd n GLY 4 Ca 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 1wfd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfd s SER 5 N -1.00 -0.20 0.53 1.61 0.01 -1.26 -4.70 113.70 108.68 1wfd s SER 5 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1wfd s SER 5 Cb 0.00 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1wfd s SER 5 CO 0.00 -0.50 0.00 -1.20 0.41 0.00 0.00 173.24 171.95 1wfd n SER 6 N -0.29 -7.64 -4.55 2.44 7.64 -1.26 -4.57 113.62 105.39 1wfd n SER 6 Ca -0.05 1.62 -0.38 0.00 1.01 0.00 0.00 58.87 61.07 1wfd n SER 6 Cb 0.61 -4.44 -0.03 0.00 -1.01 0.00 0.00 64.21 59.34 1wfd n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfd s GLY 7 N -4.93 0.10 -0.42 0.23 0.00 -1.26 -4.87 107.32 96.17 1wfd s GLY 7 Ca 0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 44.72 43.75 1wfd s GLY 7 CO 0.00 3.53 2.06 -1.06 0.00 0.00 0.00 173.10 177.62 1wfd n GLN 8 N 9.16 0.53 -2.62 2.90 6.02 -1.26 -4.73 117.38 127.38 1wfd n GLN 8 Ca 0.23 0.16 -0.05 0.00 -0.01 0.00 0.00 57.00 57.33 1wfd n GLN 8 Cb 0.52 -1.92 0.10 0.00 1.02 0.00 0.00 30.24 29.97 1wfd n GLN 8 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wfd n ASP 9 N 7.72 -1.59 -4.35 1.08 8.00 -1.26 -5.07 116.55 121.08 1wfd n ASP 9 Ca 0.44 -2.23 -0.46 0.00 0.71 0.00 0.00 54.79 53.25 1wfd n ASP 9 Cb 0.07 0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wfd s SER 10 N -1.02 6.66 -0.07 -2.24 0.01 -1.26 -4.82 113.70 110.96 1wfd s SER 10 Ca 0.15 -2.44 -0.07 0.00 1.31 0.00 0.00 55.95 54.89 1wfd s SER 10 Cb 0.36 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 1wfd s SER 10 CO -0.09 -0.70 -0.14 0.47 0.41 0.00 0.00 173.24 173.19 1wfd n ASP 11 N 4.62 0.75 0.06 2.44 9.92 -1.26 -4.44 116.55 128.64 1wfd n ASP 11 Ca 0.12 0.13 0.21 0.00 -0.53 0.00 0.00 54.79 54.72 1wfd n ASP 11 Cb 0.46 -0.59 0.73 0.00 -0.64 0.00 0.00 41.12 41.09 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1wfd h SER 12 N -0.39 0.00 -0.44 -2.24 0.02 -1.90 -0.66 113.55 107.94 1wfd h SER 12 Ca 0.00 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1wfd h SER 12 Cb 0.39 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 1wfd h SER 12 CO 0.00 0.00 -0.16 0.74 -1.14 0.00 0.00 176.83 176.27 1wfd h THR 13 N 0.00 0.46 -1.01 -2.27 2.02 -1.94 0.26 112.91 110.43 1wfd h THR 13 Ca 0.22 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.70 1wfd h THR 13 Cb 1.17 0.46 -0.14 0.00 -1.74 0.00 0.00 68.15 67.90 1wfd h THR 13 CO -0.00 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.48 1wfd h ALA 14 N 1.30 1.94 0.01 6.16 0.00 -1.34 0.54 119.26 127.88 1wfd h ALA 14 Ca 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wfd h ALA 14 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wfd h ALA 14 CO -0.49 -0.51 -0.01 0.00 0.00 0.00 0.00 179.25 178.25 1wfd h ALA 15 N 1.80 -0.02 -0.97 0.00 0.00 -0.65 0.49 119.26 119.91 1wfd h ALA 15 Ca 0.71 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.66 1wfd h ALA 15 Cb 1.57 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1wfd h ALA 15 CO -0.55 -0.36 0.57 0.28 0.00 0.00 0.00 179.25 179.19 1wfd h VAL 16 N -0.32 0.65 0.35 0.00 2.07 0.99 1.54 116.25 121.54 1wfd h VAL 16 Ca -0.00 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1wfd h VAL 16 Cb 0.31 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1wfd h VAL 16 CO 0.00 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.55 1wfd h ALA 17 N 1.66 -0.47 -1.03 1.67 0.00 -0.57 0.55 119.26 121.07 1wfd h ALA 17 Ca 0.58 -0.11 0.28 0.00 0.00 0.00 0.00 54.91 55.66 1wfd h ALA 17 Cb 0.95 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1wfd h ALA 17 CO -0.41 -0.44 0.72 -0.24 0.00 0.00 0.00 179.25 178.87 1wfd h VAL 18 N -1.12 0.51 0.00 0.00 3.04 0.65 0.86 116.25 120.19 1wfd h VAL 18 Ca -0.05 -0.05 -0.25 0.00 -1.01 0.00 0.00 66.70 65.35 1wfd h VAL 18 Cb 0.37 0.36 0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1wfd h VAL 18 CO 0.08 0.02 -0.97 -0.07 -1.01 0.00 0.00 177.57 175.62 1wfd h LEU 19 N 0.14 0.85 -0.30 3.16 3.38 0.22 -1.48 115.31 121.28 1wfd h LEU 19 Ca 0.52 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1wfd h LEU 19 Cb 1.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1wfd h LEU 19 CO -0.09 1.48 0.13 0.50 0.09 0.00 0.00 178.44 180.55 1wfd h LYS 20 N 0.30 0.44 -0.05 1.13 1.63 0.28 -1.73 116.57 118.56 1wfd h LYS 20 Ca -0.12 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1wfd h LYS 20 Cb 1.64 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.19 1wfd h LYS 20 CO 0.19 0.44 0.03 0.00 -3.45 0.00 0.00 179.45 176.66 1wfd h ARG 21 N 0.34 0.07 -0.45 1.90 2.47 -0.08 -2.53 114.38 116.10 1wfd h ARG 21 Ca 0.10 -0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.90 1wfd h ARG 21 Cb 0.16 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 28.37 1wfd h ARG 21 CO -0.01 0.14 -0.28 0.00 0.56 0.00 0.00 179.97 180.39 1wfd h ALA 22 N 0.93 -0.03 -0.68 0.04 0.00 -1.10 0.26 119.26 118.67 1wfd h ALA 22 Ca 0.02 0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1wfd h ALA 22 Cb 0.09 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1wfd h ALA 22 CO -0.00 -0.65 0.07 0.28 0.00 0.00 0.00 179.25 178.95 1wfd h VAL 23 N -0.18 0.47 0.65 0.00 2.07 -1.11 0.43 116.25 118.58 1wfd h VAL 23 Ca 0.20 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1wfd h VAL 23 Cb 0.51 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1wfd h VAL 23 CO -0.55 0.03 -0.41 -0.33 0.02 0.00 0.00 177.57 176.33 1wfd h GLU 24 N 0.17 -0.96 -0.82 1.57 4.39 -0.19 -0.47 114.58 118.28 1wfd h GLU 24 Ca 0.37 0.07 0.20 0.00 0.34 0.00 0.00 59.36 60.34 1wfd h GLU 24 Cb 0.63 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.37 1wfd h GLU 24 CO -0.55 -0.64 0.20 -0.07 -1.16 0.00 0.00 179.01 176.80 1wfd h LEU 25 N -0.99 0.00 -1.51 1.33 3.38 -0.01 1.48 115.31 118.99 1wfd h LEU 25 Ca -0.09 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1wfd h LEU 25 Cb 0.80 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1wfd h LEU 25 CO 0.08 -0.10 0.43 -0.78 0.09 0.00 0.00 178.44 178.16 1wfd h ASP 26 N 0.24 0.51 1.20 -0.43 3.58 0.24 0.40 116.42 122.16 1wfd h ASP 26 Ca 0.49 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.81 1wfd h ASP 26 Cb 0.91 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1wfd h ASP 26 CO -0.59 0.32 -0.62 0.00 -2.88 0.00 0.00 179.24 175.47 1wfd h ALA 27 N 1.66 0.66 -0.00 -0.78 0.00 0.35 -2.90 119.26 118.24 1wfd h ALA 27 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wfd h ALA 27 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wfd h ALA 27 CO -0.09 0.78 -0.02 0.39 0.00 0.00 0.00 179.25 180.31 1wfd n GLU 28 N -3.34 1.05 -0.99 0.00 -0.58 0.15 -4.86 120.64 112.06 1wfd n GLU 28 Ca 0.01 -0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1wfd n GLU 28 Cb 0.75 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 1wfd n GLU 28 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfd n SER 29 N -0.74 -1.64 -3.02 1.62 3.41 0.08 -4.91 113.62 108.42 1wfd n SER 29 Ca 0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.48 1wfd n SER 29 Cb 0.21 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1wfd n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wfd n ARG 30 N -2.49 3.58 -0.28 4.33 1.74 0.10 -4.66 116.66 118.99 1wfd n ARG 30 Ca 0.00 -2.74 0.13 0.00 -0.77 0.00 0.00 57.85 54.46 1wfd n ARG 30 Cb 0.01 -2.44 0.38 0.00 -1.02 0.00 0.00 32.46 29.39 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 4.00 0.83 0.00 -1.55 0.05 -1.86 0.64 116.97 119.07 1wfd h TYR 31 Ca 0.58 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.39 1wfd h TYR 31 Cb 0.54 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1wfd h TYR 31 CO 1.61 0.28 0.07 0.37 -1.05 0.00 0.00 178.16 179.44 1wfd h GLN 32 N 0.68 0.00 0.00 4.88 -0.00 -1.94 0.65 115.11 119.37 1wfd h GLN 32 Ca 0.47 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.86 1wfd h GLN 32 Cb 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.23 1wfd h GLN 32 CO -0.22 0.00 -1.98 1.04 0.00 0.00 0.00 178.83 177.66 1wfd n GLN 33 N -2.72 0.81 0.28 1.69 6.02 0.19 -4.33 117.38 119.31 1wfd n GLN 33 Ca -0.02 0.07 0.17 0.00 -0.01 0.00 0.00 57.00 57.21 1wfd n GLN 33 Cb 0.12 -1.35 0.69 0.00 1.02 0.00 0.00 30.24 30.71 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 0.19 1.00 0.33 -1.58 0.00 0.30 -2.37 119.26 117.12 1wfd h ALA 34 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1wfd h ALA 34 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1wfd h ALA 34 CO -0.04 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.31 1wfd h LEU 35 N 0.00 -0.37 -0.46 0.00 7.12 0.06 -0.09 115.31 121.57 1wfd h LEU 35 Ca 0.00 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1wfd h LEU 35 Cb 0.51 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 1wfd h LEU 35 CO 0.00 -0.14 -0.09 -0.37 -0.13 0.00 0.00 178.44 177.71 1wfd h VAL 36 N -0.69 0.56 0.02 1.05 -1.51 -1.74 0.26 116.25 114.20 1wfd h VAL 36 Ca -0.04 -0.01 0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1wfd h VAL 36 Cb 0.34 0.54 -0.05 0.00 -2.13 0.00 0.00 31.29 29.98 1wfd h VAL 36 CO 0.07 0.00 -0.47 0.00 -1.23 0.00 0.00 177.57 175.95 1wfd h TYR 38 N -0.63 0.80 -0.22 0.00 0.05 0.16 0.11 116.97 117.24 1wfd h TYR 38 Ca 0.03 0.03 -0.18 0.00 0.05 0.00 0.00 58.73 58.65 1wfd h TYR 38 Cb 0.69 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1wfd h TYR 38 CO -0.46 0.20 -0.58 1.96 -1.05 0.00 0.00 178.16 178.24 1wfd h GLN 39 N 0.60 0.78 -0.83 4.88 1.08 0.19 -1.52 115.11 120.29 1wfd h GLN 39 Ca 0.52 -0.55 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1wfd h GLN 39 Cb 1.03 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.48 1wfd h GLN 39 CO -0.27 1.17 0.51 0.93 -0.95 0.00 0.00 178.83 180.22 1wfd h GLU 40 N 0.52 0.90 -0.07 1.46 4.39 0.41 0.12 114.58 122.32 1wfd h GLU 40 Ca -0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1wfd h GLU 40 Cb 1.20 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1wfd h GLU 40 CO 0.13 0.60 -0.08 0.78 -1.16 0.00 0.00 179.01 179.27 1wfd h GLY 41 N 0.93 0.19 0.34 -3.84 0.00 -1.10 -2.04 103.07 97.55 1wfd h GLY 41 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1wfd h GLY 41 CO -0.17 0.18 -0.13 -2.22 0.00 0.00 0.00 176.54 174.21 1wfd h ILE 42 N -0.28 0.60 -0.80 2.60 2.04 -0.87 1.12 117.51 121.92 1wfd h ILE 42 Ca 0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1wfd h ILE 42 Cb 0.62 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1wfd h ILE 42 CO 0.02 0.00 0.47 -0.78 0.00 0.00 0.00 178.15 177.85 1wfd h ASP 43 N -0.10 0.69 -0.20 1.72 1.82 -0.79 0.76 116.42 120.32 1wfd h ASP 43 Ca 0.14 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 1wfd h ASP 43 Cb 0.30 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1wfd h ASP 43 CO -0.32 0.42 -0.01 0.24 -1.61 0.00 0.00 179.24 177.96 1wfd h MET 44 N 0.82 0.37 0.19 0.28 2.86 -0.28 -2.91 114.93 116.25 1wfd h MET 44 Ca 0.37 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1wfd h MET 44 Cb 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1wfd h MET 44 CO -0.21 0.57 -0.09 -0.07 1.06 0.00 0.00 176.91 178.17 1wfd h LEU 45 N 0.12 -0.21 -0.95 1.22 3.38 0.20 -1.51 115.31 117.56 1wfd h LEU 45 Ca 0.06 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1wfd h LEU 45 Cb 0.41 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1wfd h LEU 45 CO 0.01 -0.08 -0.51 0.18 0.09 0.00 0.00 178.44 178.13 1wfd n LEU 46 N -5.16 -0.91 -0.32 1.67 4.77 0.26 0.19 117.00 117.50 1wfd n LEU 46 Ca -0.09 1.68 0.02 0.00 -0.03 0.00 0.00 56.01 57.60 1wfd n LEU 46 Cb 0.15 -0.26 0.21 0.00 -2.33 0.00 0.00 43.42 41.19 1wfd n LEU 46 CO 0.34 -1.41 1.26 1.56 -1.33 0.00 0.00 177.39 177.81 1wfd h GLN 47 N 0.00 1.08 0.24 3.23 4.20 -1.36 -0.97 115.11 121.53 1wfd h GLN 47 Ca 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1wfd h GLN 47 Cb 0.43 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wfd h GLN 47 CO -0.91 0.71 -0.12 0.28 -0.67 0.00 0.00 178.83 178.13 1wfd h VAL 48 N 1.11 0.79 -0.34 -0.54 2.07 0.31 -2.85 116.25 116.80 1wfd h VAL 48 Ca 0.38 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.84 1wfd h VAL 48 Cb 0.09 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1wfd h VAL 48 CO -0.13 0.03 -0.18 0.25 0.02 0.00 0.00 177.57 177.56 1wfd h LEU 49 N -0.39 -0.62 -1.44 2.57 5.85 0.18 0.48 115.31 121.94 1wfd h LEU 49 Ca -0.03 0.14 0.47 0.00 0.84 0.00 0.00 57.88 59.30 1wfd h LEU 49 Cb 0.30 0.33 -0.13 0.00 0.37 0.00 0.00 40.66 41.52 1wfd h LEU 49 CO 0.05 -0.22 0.91 0.11 -0.34 0.00 0.00 178.44 178.96 1wfd h LYS 50 N -0.14 0.03 0.09 1.25 1.79 -0.97 0.60 116.57 119.22 1wfd h LYS 50 Ca 0.17 -0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.36 1wfd h LYS 50 Cb 0.40 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1wfd h LYS 50 CO -0.42 0.02 -1.47 0.78 -1.08 0.00 0.00 179.45 177.28 1wfd h GLY 51 N 0.03 0.22 -7.04 3.86 0.00 -0.27 -3.45 103.07 96.42 1wfd h GLY 51 Ca 0.87 -0.56 -0.66 0.00 0.00 0.00 0.00 47.33 46.97 1wfd h GLY 51 CO -0.42 0.49 1.46 2.41 0.00 0.00 0.00 176.54 180.49 1wfd n THR 52 N -3.95 0.06 -0.03 4.70 -1.04 0.21 -4.75 114.28 109.47 1wfd n THR 52 Ca -0.27 -0.15 -0.07 0.00 -2.04 0.00 0.00 64.05 61.51 1wfd n THR 52 Cb 0.88 -1.06 -0.14 0.00 -1.82 0.00 0.00 70.33 68.19 1wfd n THR 52 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wfd n LYS 53 N 8.05 0.64 -1.48 -2.82 5.02 -1.26 -4.71 118.16 121.60 1wfd n LYS 53 Ca 0.51 0.23 -0.48 0.00 -2.02 0.00 0.00 58.31 56.55 1wfd n LYS 53 Cb 0.11 -1.75 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfd n GLU 54 N -2.96 1.13 -0.30 1.97 1.02 -1.26 -4.79 120.64 115.45 1wfd n GLU 54 Ca -0.19 0.28 0.14 0.00 -0.02 0.00 0.00 57.16 57.37 1wfd n GLU 54 Cb 1.04 -2.60 0.31 0.00 -0.02 0.00 0.00 31.44 30.16 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 13.37 0.14 0.55 1.62 4.64 -2.00 0.20 113.55 132.07 1wfd h SER 55 Ca -0.27 0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1wfd h SER 55 Cb 1.31 0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1wfd h SER 55 CO 1.04 -0.11 -0.26 0.28 -0.87 0.00 0.00 176.83 176.91 1wfd h SER 56 N 0.27 -0.63 -0.95 4.97 0.02 -1.99 -2.68 113.55 112.58 1wfd h SER 56 Ca 0.56 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.64 1wfd h SER 56 Cb 1.13 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 63.70 1wfd h SER 56 CO -0.61 -0.35 -0.51 0.11 -1.14 0.00 0.00 176.83 174.33 1wfd h LYS 57 N -0.93 -0.03 -0.91 3.45 1.57 -1.67 1.07 116.57 119.12 1wfd h LYS 57 Ca -0.08 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.96 1wfd h LYS 57 Cb 0.57 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.73 1wfd h LYS 57 CO 0.12 -0.02 0.21 0.00 -0.57 0.00 0.00 179.45 179.20 1wfd h ARG 58 N -0.03 0.15 0.18 3.15 3.08 -0.67 0.95 114.38 121.18 1wfd h ARG 58 Ca 0.22 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1wfd h ARG 58 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1wfd h ARG 58 CO -0.93 0.10 -0.20 0.00 -1.07 0.00 0.00 179.97 177.87 1wfd h VAL 60 N -0.42 0.95 0.51 0.00 2.07 0.12 0.42 116.25 119.90 1wfd h VAL 60 Ca 0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1wfd h VAL 60 Cb 0.41 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1wfd h VAL 60 CO -0.07 0.06 -0.35 -0.07 0.02 0.00 0.00 177.57 177.16 1wfd h LEU 61 N 0.33 -0.92 -1.71 2.57 3.38 0.12 0.48 115.31 119.57 1wfd h LEU 61 Ca 0.16 0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.55 1wfd h LEU 61 Cb 0.09 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 1wfd h LEU 61 CO -0.13 -0.52 0.86 0.03 0.09 0.00 0.00 178.44 178.77 1wfd h ARG 62 N -0.83 0.13 0.02 1.13 3.08 0.12 1.70 114.38 119.73 1wfd h ARG 62 Ca -0.07 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 1wfd h ARG 62 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1wfd h ARG 62 CO 0.04 0.08 -0.93 1.15 -1.07 0.00 0.00 179.97 179.24 1wfd h THR 63 N 0.13 1.50 0.16 2.04 2.02 0.07 -2.74 112.91 116.09 1wfd h THR 63 Ca 0.66 -2.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 1wfd h THR 63 Cb 2.26 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 71.21 1wfd h THR 63 CO -0.17 0.79 -0.08 0.11 0.37 0.00 0.00 175.52 176.55 1wfd h LYS 64 N 0.11 -0.20 -0.21 6.66 1.57 0.70 -1.25 116.57 123.94 1wfd h LYS 64 Ca -0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.59 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.90 1wfd h LYS 64 CO 0.14 0.02 -0.24 0.82 -0.57 0.00 0.00 179.45 179.62 1wfd h ILE 65 N -1.02 0.00 -0.45 1.86 2.04 0.34 0.65 117.51 120.93 1wfd h ILE 65 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1wfd h ILE 65 Cb 0.32 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.32 1wfd h ILE 65 CO 0.04 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 178.93 1wfd h SER 66 N -0.15 -0.24 -0.38 1.72 4.64 -1.64 0.54 113.55 118.03 1wfd h SER 66 Ca 0.04 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1wfd h SER 66 Cb 0.25 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1wfd h SER 66 CO -0.27 -0.08 0.38 1.23 -0.87 0.00 0.00 176.83 177.21 1wfd h GLY 67 N 0.09 0.00 0.40 -0.77 0.00 0.13 0.57 103.07 103.48 1wfd h GLY 67 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1wfd h GLY 67 CO -0.40 0.00 -1.19 -1.72 0.00 0.00 0.00 176.54 173.24 1wfd n TYR 68 N -3.87 0.19 0.08 5.60 4.01 0.21 -4.05 117.16 119.33 1wfd n TYR 68 Ca 0.07 0.05 -0.17 0.00 -0.16 0.00 0.00 57.90 57.69 1wfd n TYR 68 Cb 0.55 -0.38 -0.14 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.28 -0.04 -0.72 2.86 0.46 -2.92 114.93 114.86 1wfd h MET 69 Ca 0.00 -0.48 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1wfd h MET 69 Cb 0.74 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1wfd h MET 69 CO 0.00 1.18 0.02 0.22 1.06 0.00 0.00 176.91 179.39 1wfd h ASP 70 N 0.08 0.05 -0.56 1.22 3.58 -1.12 0.17 116.42 119.85 1wfd h ASP 70 Ca -0.21 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.13 1wfd h ASP 70 Cb 2.02 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 43.02 1wfd h ASP 70 CO 0.18 0.16 0.36 -0.09 -2.88 0.00 0.00 179.24 176.98 1wfd h ARG 71 N -0.06 0.72 0.69 0.28 9.65 -1.70 -0.58 114.38 123.38 1wfd h ARG 71 Ca 0.01 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 1wfd h ARG 71 Cb 0.12 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1wfd h ARG 71 CO -0.00 0.48 -0.39 0.00 2.80 0.00 0.00 179.97 182.86 1wfd h ALA 72 N 1.21 -1.02 -0.07 2.80 0.00 -1.29 -1.30 119.26 119.59 1wfd h ALA 72 Ca 0.21 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wfd h ALA 72 Cb -0.07 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wfd h ALA 72 CO -0.05 -1.08 -0.20 0.93 0.00 0.00 0.00 179.25 178.85 1wfd h GLU 73 N -1.00 -0.19 -0.98 0.00 5.08 -0.46 0.73 114.58 117.75 1wfd h GLU 73 Ca -0.09 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.58 1wfd h GLU 73 Cb 0.79 0.04 -0.18 0.00 0.50 0.00 0.00 28.75 29.91 1wfd h GLU 73 CO 0.12 -0.13 0.13 0.09 -1.00 0.00 0.00 179.01 178.22 1wfd n ASN 74 N -3.61 -0.01 0.33 1.42 3.02 -0.24 0.14 115.26 116.30 1wfd n ASN 74 Ca -0.02 1.66 -0.13 0.00 -0.03 0.00 0.00 54.58 56.05 1wfd n ASN 74 Cb 0.13 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 1wfd n ASN 74 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wfd h ILE 75 N 0.00 0.00 -0.63 2.41 2.04 0.21 -0.62 117.51 120.92 1wfd h ILE 75 Ca 0.65 -0.13 0.12 0.00 1.00 0.00 0.00 64.86 66.50 1wfd h ILE 75 Cb 1.44 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.40 1wfd h ILE 75 CO -0.89 0.00 -0.23 0.11 0.00 0.00 0.00 178.15 177.15 1wfd h LYS 76 N -1.00 -0.06 -0.58 2.37 1.57 0.39 2.05 116.57 121.31 1wfd h LYS 76 Ca -0.09 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1wfd h LYS 76 Cb 0.66 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1wfd h LYS 76 CO 0.14 -0.04 0.41 0.87 -0.57 0.00 0.00 179.45 180.26 1wfd h LYS 77 N -0.06 0.14 0.00 3.15 6.56 0.12 1.11 116.57 127.60 1wfd h LYS 77 Ca 0.29 -0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.75 1wfd h LYS 77 Cb 0.51 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1wfd h LYS 77 CO -0.68 0.10 -1.05 -0.92 -2.06 0.00 0.00 179.45 174.83 1wfd h TYR 78 N 0.15 0.00 0.15 -1.35 3.20 0.36 -3.21 116.97 116.27 1wfd h TYR 78 Ca 0.28 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.92 1wfd h TYR 78 Cb 0.90 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.20 1wfd h TYR 78 CO -0.00 0.47 -1.00 -0.07 -1.64 0.00 0.00 178.16 175.91 1wfd h LEU 79 N 0.00 0.62 -1.03 2.82 3.38 0.64 -0.29 115.31 121.45 1wfd h LEU 79 Ca -0.09 -0.91 0.05 0.00 0.09 0.00 0.00 57.88 57.02 1wfd h LEU 79 Cb 1.44 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 1wfd h LEU 79 CO 0.04 1.48 0.65 -0.78 0.09 0.00 0.00 178.44 179.92 1wfd h ASP 80 N -0.14 1.05 0.03 -0.43 1.82 0.92 0.31 116.42 119.98 1wfd h ASP 80 Ca -0.17 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.24 1wfd h ASP 80 Cb 1.77 -0.23 0.02 0.00 0.68 0.00 0.00 39.33 41.57 1wfd h ASP 80 CO 0.19 0.69 -0.91 0.06 -1.61 0.00 0.00 179.24 177.66 1wfd h GLN 81 N 1.20 0.57 0.00 0.28 3.07 -1.60 -3.12 115.11 115.51 1wfd h GLN 81 Ca 0.42 -0.65 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1wfd h GLN 81 Cb 0.10 0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.86 1wfd h GLN 81 CO -0.15 1.26 -0.04 0.93 0.09 0.00 0.00 178.83 180.92 1wfd h GLU 82 N 0.16 0.00 0.70 0.06 4.39 -0.36 0.64 114.58 120.16 1wfd h GLU 82 Ca -0.12 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1wfd h GLU 82 Cb 1.60 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.25 1wfd h GLU 82 CO 0.18 0.04 -0.33 0.87 -1.16 0.00 0.00 179.01 178.60 1wfd h LYS 83 N 0.00 -0.90 0.00 2.33 1.57 -0.38 -1.13 116.57 118.06 1wfd h LYS 83 Ca -0.00 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1wfd h LYS 83 Cb 0.07 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1wfd h LYS 83 CO 0.01 -0.58 -0.22 1.05 -0.57 0.00 0.00 179.45 179.13 1wfd h GLU 84 N -1.19 0.00 -0.19 3.15 4.11 -1.43 -0.61 114.58 118.43 1wfd h GLU 84 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1wfd h GLU 84 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1wfd h GLU 84 CO 0.16 0.22 0.00 -0.25 0.07 0.00 0.00 179.01 179.21 1wfd n ASP 85 N -3.75 1.03 0.16 3.06 9.92 0.22 -3.95 116.55 123.25 1wfd n ASP 85 Ca -0.01 -1.98 0.16 0.00 -0.53 0.00 0.00 54.79 52.42 1wfd n ASP 85 Cb 0.33 -0.13 0.75 0.00 -0.64 0.00 0.00 41.12 41.43 1wfd n ASP 85 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1wfd h GLY 86 N 5.56 0.00 -7.01 0.44 0.00 0.21 -3.46 103.07 98.82 1wfd h GLY 86 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1wfd h GLY 86 CO 0.00 0.00 -0.99 0.28 0.00 0.00 0.00 176.54 175.83 1wfd n LYS 87 N -4.15 -0.39 -2.45 4.80 4.76 -1.25 -4.84 118.16 114.63 1wfd n LYS 87 Ca 0.03 0.05 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 1wfd n LYS 87 Cb 0.34 -2.68 -0.04 0.00 -1.84 0.00 0.00 35.03 30.80 1wfd n LYS 87 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1wfd s SER 88 N -3.77 7.22 0.03 4.39 0.01 -1.26 -5.05 113.70 115.28 1wfd s SER 88 Ca 0.36 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1wfd s SER 88 Cb -0.20 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1wfd s SER 88 CO 0.97 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 175.06 1wfd n GLY 89 N 1.15 1.61 2.37 3.44 0.00 -1.26 -4.93 105.19 107.57 1wfd n GLY 89 Ca -0.01 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.76 1wfd n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfd n PRO 90 N -0.28 2.39 -3.21 1.61 -0.04 -1.26 -4.76 135.00 129.45 1wfd n PRO 90 Ca 0.00 -1.46 -0.45 0.00 -0.04 0.00 0.00 63.50 61.55 1wfd n PRO 90 Cb 0.00 -2.38 -0.00 0.00 -0.04 0.00 0.00 33.50 31.08 1wfd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfd s SER 91 N 2.68 7.16 -0.49 3.54 0.15 -1.26 -4.72 113.70 120.77 1wfd s SER 91 Ca 0.52 -3.26 -0.28 0.00 0.70 0.00 0.00 55.95 53.64 1wfd s SER 91 Cb 0.17 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1wfd s SER 91 CO -0.03 -0.48 0.64 -0.24 1.20 0.00 0.00 173.24 174.33 1wfd n SER 92 N 3.86 -6.30 0.00 5.45 2.88 -1.26 -5.21 113.62 113.03 1wfd n SER 92 Ca 0.26 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1wfd n SER 92 Cb 0.42 -2.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.92 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42