#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfd s SER 2 N 0.00 -0.03 0.36 1.61 0.15 -1.26 -5.16 113.70 109.36 1wfd s SER 2 Ca 0.00 0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.57 1wfd s SER 2 Cb 0.00 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.36 1wfd s SER 2 CO 0.00 -0.01 0.77 -0.94 1.20 0.00 0.00 173.24 174.26 1wfd s SER 3 N 0.09 6.71 0.00 5.45 1.04 -1.26 -4.87 113.70 120.86 1wfd s SER 3 Ca 0.07 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1wfd s SER 3 Cb -0.05 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1wfd s SER 3 CO -0.16 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wfd n GLY 4 N -0.67 0.03 3.14 7.32 0.00 -1.26 -4.78 105.19 108.97 1wfd n GLY 4 Ca 0.04 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 45.02 1wfd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfd s SER 5 N -4.00 -1.33 0.39 1.61 0.15 -1.26 -5.13 113.70 104.13 1wfd s SER 5 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1wfd s SER 5 Cb 0.00 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.08 1wfd s SER 5 CO 0.00 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.04 1wfd n SER 6 N 4.89 -5.38 0.37 5.45 7.64 -1.26 -4.77 113.62 120.57 1wfd n SER 6 Ca 0.08 1.15 -0.15 0.00 1.01 0.00 0.00 58.87 60.96 1wfd n SER 6 Cb 0.56 -3.02 -0.07 0.00 -1.01 0.00 0.00 64.21 60.67 1wfd n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wfd h GLY 7 N -0.18 -0.99 -5.17 0.23 0.00 -2.00 -3.49 103.07 91.47 1wfd h GLY 7 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1wfd h GLY 7 CO 0.01 -0.36 -0.94 -1.06 0.00 0.00 0.00 176.54 174.20 1wfd n GLN 8 N -4.80 -3.44 -2.69 4.80 6.02 -1.26 -5.01 117.38 111.01 1wfd n GLN 8 Ca -0.12 2.62 -0.06 0.00 -0.01 0.00 0.00 57.00 59.44 1wfd n GLN 8 Cb 0.37 -3.48 0.07 0.00 1.02 0.00 0.00 30.24 28.23 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 1.99 -1.66 -3.15 1.08 8.00 -1.26 -5.05 116.55 116.51 1wfd n ASP 9 Ca -0.21 -2.20 -0.12 0.00 0.71 0.00 0.00 54.79 52.97 1wfd n ASP 9 Cb 0.32 1.03 -0.01 0.00 -0.02 0.00 0.00 41.12 42.43 1wfd n ASP 9 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wfd n SER 10 N -0.55 2.12 0.00 -2.24 7.64 -1.26 -5.06 113.62 114.27 1wfd n SER 10 Ca -0.11 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1wfd n SER 10 Cb 0.78 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1wfd n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1wfd n ASP 11 N -1.57 0.00 0.23 6.43 9.92 -1.26 -3.60 116.55 126.70 1wfd n ASP 11 Ca -0.05 0.30 0.17 0.00 -0.53 0.00 0.00 54.79 54.68 1wfd n ASP 11 Cb 0.26 -0.26 0.76 0.00 -0.64 0.00 0.00 41.12 41.25 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 0.00 0.00 0.40 -2.24 0.02 -1.99 -1.78 113.55 107.96 1wfd h SER 12 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1wfd h SER 12 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1wfd h SER 12 CO 0.00 0.00 -0.42 0.74 -1.14 0.00 0.00 176.83 176.01 1wfd h THR 13 N 0.00 0.00 -1.15 -2.27 2.02 -1.98 -0.32 112.91 109.22 1wfd h THR 13 Ca 0.09 0.00 0.42 0.00 0.77 0.00 0.00 66.41 67.68 1wfd h THR 13 Cb 0.91 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.16 1wfd h THR 13 CO -0.00 0.00 0.68 0.00 0.37 0.00 0.00 175.52 176.57 1wfd h ALA 14 N -1.03 2.39 -0.04 6.16 0.00 -1.38 1.50 119.26 126.85 1wfd h ALA 14 Ca -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wfd h ALA 14 Cb 0.73 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wfd h ALA 14 CO -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 179.25 178.10 1wfd h ALA 15 N 1.80 0.05 -0.99 0.00 0.00 -1.30 0.80 119.26 119.63 1wfd h ALA 15 Ca 0.83 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.80 1wfd h ALA 15 Cb 2.32 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 20.00 1wfd h ALA 15 CO -0.60 -0.30 0.62 0.28 0.00 0.00 0.00 179.25 179.25 1wfd h VAL 16 N -0.20 0.66 0.12 0.00 2.07 0.37 1.47 116.25 120.75 1wfd h VAL 16 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1wfd h VAL 16 Cb 0.29 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1wfd h VAL 16 CO 0.00 0.12 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 1wfd h ALA 17 N 1.64 -0.16 -1.02 1.67 0.00 -0.74 -1.37 119.26 119.27 1wfd h ALA 17 Ca 0.57 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.66 1wfd h ALA 17 Cb 1.05 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1wfd h ALA 17 CO -0.34 -0.16 0.62 -0.24 0.00 0.00 0.00 179.25 179.13 1wfd h VAL 18 N -1.03 0.48 -0.02 0.00 3.04 0.13 0.39 116.25 119.25 1wfd h VAL 18 Ca -0.02 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1wfd h VAL 18 Cb 0.24 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.47 1wfd h VAL 18 CO 0.03 0.09 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.60 1wfd h LEU 19 N 0.49 0.03 -0.38 3.16 3.38 0.20 0.06 115.31 122.25 1wfd h LEU 19 Ca 0.65 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1wfd h LEU 19 Cb 1.40 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 1wfd h LEU 19 CO -0.46 0.44 -0.12 0.50 0.09 0.00 0.00 178.44 178.90 1wfd h LYS 20 N -0.37 -0.03 0.47 1.13 1.63 0.72 -1.01 116.57 119.10 1wfd h LYS 20 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1wfd h LYS 20 Cb 0.43 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1wfd h LYS 20 CO 0.00 -0.02 -0.25 0.00 -3.45 0.00 0.00 179.45 175.73 1wfd h ARG 21 N -0.04 -0.65 -0.97 1.90 2.47 -0.39 -2.86 114.38 113.84 1wfd h ARG 21 Ca 0.18 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.04 1wfd h ARG 21 Cb 0.32 0.15 -0.12 0.00 -1.65 0.00 0.00 29.97 28.66 1wfd h ARG 21 CO -0.41 -0.43 -0.59 0.00 0.56 0.00 0.00 179.97 179.10 1wfd h ALA 22 N -0.16 -0.55 -0.92 0.04 0.00 -0.31 0.74 119.26 118.09 1wfd h ALA 22 Ca -0.06 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1wfd h ALA 22 Cb 0.53 1.36 -0.17 0.00 0.00 0.00 0.00 17.79 19.52 1wfd h ALA 22 CO 0.08 -0.97 -0.27 0.28 0.00 0.00 0.00 179.25 178.37 1wfd h VAL 23 N -0.02 0.06 0.39 0.00 2.07 -1.06 0.68 116.25 118.38 1wfd h VAL 23 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1wfd h VAL 23 Cb 0.42 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1wfd h VAL 23 CO -0.92 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 175.88 1wfd h GLU 24 N -0.01 -0.83 -1.01 1.57 5.08 0.63 0.13 114.58 120.14 1wfd h GLU 24 Ca 0.41 0.06 0.23 0.00 -1.00 0.00 0.00 59.36 59.06 1wfd h GLU 24 Cb 0.65 0.19 -0.12 0.00 0.50 0.00 0.00 28.75 29.98 1wfd h GLU 24 CO -0.94 -0.56 0.61 -0.07 -1.00 0.00 0.00 179.01 177.05 1wfd h LEU 25 N -0.87 0.68 -1.54 1.33 3.38 0.95 1.72 115.31 120.97 1wfd h LEU 25 Ca -0.05 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wfd h LEU 25 Cb 0.77 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1wfd h LEU 25 CO -0.09 0.15 -0.13 -0.78 0.09 0.00 0.00 178.44 177.68 1wfd h ASP 26 N 0.61 0.12 1.14 -0.43 3.58 0.14 0.60 116.42 122.18 1wfd h ASP 26 Ca 0.62 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 58.04 1wfd h ASP 26 Cb 1.17 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1wfd h ASP 26 CO -0.43 0.27 -0.86 0.00 -2.88 0.00 0.00 179.24 175.35 1wfd h ALA 27 N 1.74 0.58 -0.03 -0.78 0.00 0.46 -3.24 119.26 118.00 1wfd h ALA 27 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wfd h ALA 27 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wfd h ALA 27 CO 0.02 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1wfd n GLU 28 N -2.76 1.46 -0.99 0.00 -0.58 0.43 -4.87 120.64 113.34 1wfd n GLU 28 Ca 0.00 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 1wfd n GLU 28 Cb 0.56 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 -0.16 -0.19 -3.09 1.62 3.41 -0.41 -4.90 113.62 109.89 1wfd n SER 29 Ca 0.20 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.46 1wfd n SER 29 Cb 0.27 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.06 3.69 0.01 4.33 1.74 0.20 -4.64 116.66 119.93 1wfd n ARG 30 Ca 0.00 -2.68 0.15 0.00 -0.77 0.00 0.00 57.85 54.55 1wfd n ARG 30 Cb 0.00 -2.51 0.60 0.00 -1.02 0.00 0.00 32.46 29.54 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 4.22 0.18 0.00 -1.55 0.05 -1.87 0.51 116.97 118.51 1wfd h TYR 31 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.42 1wfd h TYR 31 Cb 0.51 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1wfd h TYR 31 CO 1.67 0.08 0.00 0.37 -1.05 0.00 0.00 178.16 179.23 1wfd h GLN 32 N 0.17 0.00 0.00 4.88 -0.00 -1.92 0.10 115.11 118.34 1wfd h GLN 32 Ca 0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.61 1wfd h GLN 32 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.10 1wfd h GLN 32 CO -0.03 0.00 -1.99 1.04 0.00 0.00 0.00 178.83 177.85 1wfd n GLN 33 N -2.82 1.28 0.27 1.69 6.02 0.14 -4.28 117.38 119.68 1wfd n GLN 33 Ca -0.01 0.03 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 1wfd n GLN 33 Cb 0.17 -1.36 0.62 0.00 1.02 0.00 0.00 30.24 30.69 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 0.46 1.00 0.36 -1.58 0.00 -0.09 -2.30 119.26 117.12 1wfd h ALA 34 Ca -0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1wfd h ALA 34 Cb 1.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1wfd h ALA 34 CO -0.01 0.03 -0.17 1.25 0.00 0.00 0.00 179.25 180.35 1wfd h LEU 35 N 0.00 -0.41 -0.51 0.00 7.12 -1.00 -0.10 115.31 120.40 1wfd h LEU 35 Ca -0.00 0.01 0.10 0.00 0.13 0.00 0.00 57.88 58.12 1wfd h LEU 35 Cb 0.57 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.72 1wfd h LEU 35 CO 0.00 -0.08 -0.01 -0.37 -0.13 0.00 0.00 178.44 177.86 1wfd h VAL 36 N -0.92 0.59 0.04 1.05 -1.51 -1.73 0.41 116.25 114.17 1wfd h VAL 36 Ca -0.05 -0.04 0.03 0.00 -1.23 0.00 0.00 66.70 65.41 1wfd h VAL 36 Cb 0.37 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 29.96 1wfd h VAL 36 CO 0.08 0.02 -0.26 0.00 -1.23 0.00 0.00 177.57 176.18 1wfd h TYR 38 N -0.43 1.06 -0.26 0.00 0.05 0.54 -0.56 116.97 117.38 1wfd h TYR 38 Ca 0.05 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.72 1wfd h TYR 38 Cb 0.49 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 1wfd h TYR 38 CO -0.28 0.38 -0.38 1.96 -1.05 0.00 0.00 178.16 178.79 1wfd h GLN 39 N 0.88 0.71 -0.89 4.88 1.08 0.12 -0.92 115.11 120.97 1wfd h GLN 39 Ca 0.50 -0.42 0.10 0.00 -1.45 0.00 0.00 58.65 57.38 1wfd h GLN 39 Cb 0.62 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.02 1wfd h GLN 39 CO -0.27 1.04 0.53 0.93 -0.95 0.00 0.00 178.83 180.11 1wfd h GLU 40 N 0.43 0.85 0.07 1.46 4.39 0.24 0.11 114.58 122.14 1wfd h GLU 40 Ca 0.03 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1wfd h GLU 40 Cb 0.97 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1wfd h GLU 40 CO 0.09 0.56 -0.03 0.78 -1.16 0.00 0.00 179.01 179.25 1wfd h GLY 41 N 0.88 -0.10 -0.16 -3.84 0.00 -1.12 -2.46 103.07 96.27 1wfd h GLY 41 Ca 0.43 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.91 1wfd h GLY 41 CO -0.25 -0.04 -0.15 -2.22 0.00 0.00 0.00 176.54 173.89 1wfd h ILE 42 N -0.72 0.42 -0.67 2.60 2.04 -0.78 0.99 117.51 121.39 1wfd h ILE 42 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1wfd h ILE 42 Cb 0.58 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1wfd h ILE 42 CO 0.02 0.00 0.38 -0.78 0.00 0.00 0.00 178.15 177.77 1wfd h ASP 43 N -0.00 0.57 -0.26 1.72 1.82 -0.84 0.65 116.42 120.07 1wfd h ASP 43 Ca 0.28 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.92 1wfd h ASP 43 Cb 0.43 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1wfd h ASP 43 CO -0.60 0.38 0.09 0.24 -1.61 0.00 0.00 179.24 177.74 1wfd h MET 44 N 0.71 0.40 0.02 0.28 2.86 0.10 -2.81 114.93 116.49 1wfd h MET 44 Ca 0.30 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1wfd h MET 44 Cb 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1wfd h MET 44 CO -0.17 0.46 -0.01 -0.07 1.06 0.00 0.00 176.91 178.17 1wfd h LEU 45 N 0.26 -0.02 -0.98 1.22 3.38 0.15 -2.02 115.31 117.29 1wfd h LEU 45 Ca 0.08 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1wfd h LEU 45 Cb 0.22 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 1wfd h LEU 45 CO -0.00 0.09 -0.53 0.18 0.09 0.00 0.00 178.44 178.26 1wfd n LEU 46 N -5.05 -0.94 -0.20 1.67 4.77 0.22 0.20 117.00 117.67 1wfd n LEU 46 Ca -0.08 1.74 0.06 0.00 -0.03 0.00 0.00 56.01 57.71 1wfd n LEU 46 Cb 0.09 -0.27 0.34 0.00 -2.33 0.00 0.00 43.42 41.25 1wfd n LEU 46 CO 0.33 -1.46 1.22 1.56 -1.33 0.00 0.00 177.39 177.72 1wfd h GLN 47 N 0.00 0.77 0.41 3.23 4.20 -1.35 0.14 115.11 122.51 1wfd h GLN 47 Ca 0.20 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1wfd h GLN 47 Cb 0.45 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1wfd h GLN 47 CO -0.94 0.51 -0.19 0.28 -0.67 0.00 0.00 178.83 177.82 1wfd h VAL 48 N 0.79 0.00 -0.61 -0.54 2.07 0.31 -2.72 116.25 115.55 1wfd h VAL 48 Ca 0.32 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.81 1wfd h VAL 48 Cb 0.25 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.90 1wfd h VAL 48 CO -0.11 0.00 -0.30 0.25 0.02 0.00 0.00 177.57 177.44 1wfd h LEU 49 N -0.69 -1.04 -0.97 2.57 7.12 0.14 0.39 115.31 122.84 1wfd h LEU 49 Ca -0.06 0.22 0.23 0.00 0.13 0.00 0.00 57.88 58.41 1wfd h LEU 49 Cb 0.42 0.54 -0.18 0.00 -0.53 0.00 0.00 40.66 40.91 1wfd h LEU 49 CO 0.09 -0.29 -0.09 0.11 -0.13 0.00 0.00 178.44 178.14 1wfd h LYS 50 N -0.13 0.01 -1.62 1.25 6.56 -0.74 1.09 116.57 122.99 1wfd h LYS 50 Ca 0.26 -0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 59.16 1wfd h LYS 50 Cb 0.54 -0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 31.94 1wfd h LYS 50 CO -0.69 0.01 0.91 0.41 -2.06 0.00 0.00 179.45 178.03 1wfd n GLY 51 N -1.54 5.46 2.79 3.86 0.00 0.13 -4.83 105.19 111.06 1wfd n GLY 51 Ca 0.19 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 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 -4.58 0.96 0.10 2.61 2.01 0.38 -4.96 115.64 112.15 1wfd s THR 52 Ca 0.56 -1.17 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1wfd s THR 52 Cb 0.45 -1.56 -0.25 0.00 0.01 0.00 0.00 72.50 71.15 1wfd s THR 52 CO -0.24 -0.43 1.20 0.11 -0.69 0.00 0.00 174.62 174.58 1wfd h LYS 53 N 8.09 0.21 -5.25 4.92 1.57 -1.88 -3.43 116.57 120.79 1wfd h LYS 53 Ca -0.15 -0.34 -0.49 0.00 -1.87 0.00 0.00 60.65 57.80 1wfd h LYS 53 Cb 1.06 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1wfd h LYS 53 CO 0.42 1.14 1.71 0.39 -0.57 0.00 0.00 179.45 182.54 1wfd n GLU 54 N -3.52 0.39 -0.29 3.15 -0.58 -1.26 -4.74 120.64 113.80 1wfd n GLU 54 Ca -0.06 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.79 1wfd n GLU 54 Cb 0.97 -2.22 0.27 0.00 -0.57 0.00 0.00 31.44 29.89 1wfd n GLU 54 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1wfd h SER 55 N 14.74 0.09 0.06 1.62 4.64 -1.99 0.68 113.55 133.39 1wfd h SER 55 Ca -0.12 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wfd h SER 55 Cb 1.30 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wfd h SER 55 CO 1.30 -0.09 -0.03 0.77 -0.87 0.00 0.00 176.83 177.91 1wfd h SER 56 N 0.27 -0.07 -0.74 4.97 4.64 -1.98 0.42 113.55 121.08 1wfd h SER 56 Ca 0.52 -0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.77 1wfd h SER 56 Cb 1.00 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1wfd h SER 56 CO -0.59 0.10 0.41 0.11 -0.87 0.00 0.00 176.83 176.00 1wfd h LYS 57 N -0.23 0.71 -0.26 4.77 1.57 -1.15 0.03 116.57 122.01 1wfd h LYS 57 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wfd h LYS 57 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1wfd h LYS 57 CO 0.01 0.47 0.16 0.00 -0.57 0.00 0.00 179.45 179.53 1wfd h ARG 58 N 0.73 0.34 -0.12 3.15 3.08 0.51 1.49 114.38 123.57 1wfd h ARG 58 Ca 0.34 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.40 1wfd h ARG 58 Cb 0.26 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1wfd h ARG 58 CO -0.21 0.25 -0.16 0.00 -1.07 0.00 0.00 179.97 178.78 1wfd h VAL 60 N -0.20 0.04 -0.20 0.00 2.07 -0.67 -0.71 116.25 116.58 1wfd h VAL 60 Ca 0.09 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1wfd h VAL 60 Cb 0.34 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1wfd h VAL 60 CO -0.24 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.03 1wfd h LEU 61 N -1.26 -0.83 -1.90 2.57 3.38 0.23 1.39 115.31 118.89 1wfd h LEU 61 Ca -0.11 0.11 0.35 0.00 0.09 0.00 0.00 57.88 58.32 1wfd h LEU 61 Cb 0.83 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1wfd h LEU 61 CO 0.18 -0.17 0.86 0.03 0.09 0.00 0.00 178.44 179.43 1wfd h ARG 62 N -0.16 0.05 0.02 1.13 3.08 0.11 1.64 114.38 120.26 1wfd h ARG 62 Ca 0.03 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 1wfd h ARG 62 Cb 0.26 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1wfd h ARG 62 CO -0.27 0.04 -0.98 1.15 -1.07 0.00 0.00 179.97 178.83 1wfd h THR 63 N 0.05 1.62 0.05 2.04 2.02 0.19 -2.95 112.91 115.93 1wfd h THR 63 Ca 0.59 -3.09 -0.00 0.00 0.77 0.00 0.00 66.41 64.68 1wfd h THR 63 Cb 2.25 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 71.39 1wfd h THR 63 CO -0.06 0.89 -0.02 0.11 0.37 0.00 0.00 175.52 176.81 1wfd h LYS 64 N 0.03 -0.06 -0.10 6.66 1.57 1.16 -1.29 116.57 124.53 1wfd h LYS 64 Ca -0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.69 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.99 1wfd h LYS 64 CO 0.14 0.45 -0.14 0.82 -0.57 0.00 0.00 179.45 180.14 1wfd h ILE 65 N -0.96 0.00 -0.73 1.86 2.04 0.32 0.42 117.51 120.46 1wfd h ILE 65 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1wfd h ILE 65 Cb 0.54 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1wfd h ILE 65 CO 0.01 0.00 0.37 -1.28 0.00 0.00 0.00 178.15 177.26 1wfd h SER 66 N -0.10 0.50 -0.26 1.72 0.87 -1.68 0.29 113.55 114.89 1wfd h SER 66 Ca 0.02 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1wfd h SER 66 Cb 0.15 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1wfd h SER 66 CO -0.15 0.28 0.32 1.23 -0.53 0.00 0.00 176.83 177.98 1wfd h GLY 67 N 0.63 0.00 0.03 5.77 0.00 0.10 0.57 103.07 110.18 1wfd h GLY 67 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1wfd h GLY 67 CO -0.26 0.00 -1.15 -1.72 0.00 0.00 0.00 176.54 173.40 1wfd n TYR 68 N -3.63 0.01 -0.05 5.60 4.01 0.13 -4.21 117.16 119.01 1wfd n TYR 68 Ca 0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 1wfd n TYR 68 Cb 0.46 -0.10 -0.13 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.07 -0.40 -0.72 2.86 0.23 -2.71 114.93 114.26 1wfd h MET 69 Ca 0.00 -0.12 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1wfd h MET 69 Cb 0.59 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 1wfd h MET 69 CO 0.00 1.06 -0.10 0.22 1.06 0.00 0.00 176.91 179.14 1wfd h ASP 70 N -0.82 -0.39 -0.14 1.22 1.82 -1.23 0.77 116.42 117.66 1wfd h ASP 70 Ca -0.17 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1wfd h ASP 70 Cb 1.29 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.54 1wfd h ASP 70 CO -0.04 -0.14 0.07 -0.09 -1.61 0.00 0.00 179.24 177.43 1wfd h ARG 71 N -0.01 0.20 -0.27 0.28 9.65 -1.73 -0.27 114.38 122.22 1wfd h ARG 71 Ca 0.19 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 1wfd h ARG 71 Cb 0.30 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1wfd h ARG 71 CO -0.41 0.25 -0.06 0.00 2.80 0.00 0.00 179.97 182.55 1wfd h ALA 72 N 0.94 0.19 0.32 2.80 0.00 -0.95 -1.31 119.26 121.26 1wfd h ALA 72 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1wfd h ALA 72 Cb 0.12 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wfd h ALA 72 CO -0.01 -0.46 -0.27 0.93 0.00 0.00 0.00 179.25 179.45 1wfd h GLU 73 N 0.01 -0.56 -1.77 0.00 5.08 0.74 0.84 114.58 118.93 1wfd h GLU 73 Ca 0.13 0.04 0.53 0.00 -1.00 0.00 0.00 59.36 59.06 1wfd h GLU 73 Cb 0.20 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1wfd h GLU 73 CO -0.27 -0.37 1.24 -0.91 -1.00 0.00 0.00 179.01 177.70 1wfd h ASN 74 N -0.58 0.06 0.03 1.42 2.35 -0.86 0.83 115.58 118.84 1wfd h ASN 74 Ca -0.04 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wfd h ASN 74 Cb 0.49 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wfd h ASN 74 CO -0.00 -0.07 -0.01 0.40 -1.65 0.00 0.00 177.43 176.09 1wfd h ILE 75 N 0.01 0.00 -0.77 2.81 2.04 -0.00 -2.98 117.51 118.61 1wfd h ILE 75 Ca 0.90 -0.96 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1wfd h ILE 75 Cb 3.42 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 39.37 1wfd h ILE 75 CO -0.14 0.00 -0.00 0.11 0.00 0.00 0.00 178.15 178.12 1wfd h LYS 76 N -1.00 0.09 -0.71 2.37 1.57 0.50 1.83 116.57 121.22 1wfd h LYS 76 Ca -0.00 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1wfd h LYS 76 Cb 0.03 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1wfd h LYS 76 CO 0.01 0.06 0.47 0.87 -0.57 0.00 0.00 179.45 180.29 1wfd h LYS 77 N 0.10 0.58 0.16 3.15 6.56 0.30 0.80 116.57 128.22 1wfd h LYS 77 Ca 0.42 -0.03 -0.30 0.00 -1.06 0.00 0.00 60.65 59.67 1wfd h LYS 77 Cb 0.74 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1wfd h LYS 77 CO -0.68 0.38 -1.39 -0.92 -2.06 0.00 0.00 179.45 174.78 1wfd h TYR 78 N 0.59 0.63 0.00 -1.35 3.20 0.22 -2.81 116.97 117.46 1wfd h TYR 78 Ca 0.33 -0.46 -0.02 0.00 3.14 0.00 0.00 58.73 61.72 1wfd h TYR 78 Cb 0.49 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1wfd h TYR 78 CO -0.00 1.40 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.74 1wfd h LEU 79 N 0.09 0.00 0.00 2.82 3.38 0.34 0.44 115.31 122.39 1wfd h LEU 79 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wfd h LEU 79 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1wfd h LEU 79 CO 0.21 0.10 -0.59 -0.78 0.09 0.00 0.00 178.44 177.48 1wfd h ASP 80 N 0.00 0.00 0.16 -0.43 3.58 0.56 -3.08 116.42 117.21 1wfd h ASP 80 Ca -0.00 -0.06 -0.35 0.00 0.42 0.00 0.00 57.03 57.04 1wfd h ASP 80 Cb 0.64 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.63 1wfd h ASP 80 CO 0.01 0.03 -2.16 0.00 -2.88 0.00 0.00 179.24 174.24 1wfd n GLN 81 N -2.59 0.67 -0.08 0.28 10.64 -0.74 -4.26 117.38 121.30 1wfd n GLN 81 Ca 0.02 0.11 -0.12 0.00 -1.83 0.00 0.00 57.00 55.19 1wfd n GLN 81 Cb 0.51 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 28.22 1wfd n GLN 81 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 1wfd h GLU 82 N 0.00 0.46 -0.57 2.61 4.11 -0.25 -2.87 114.58 118.08 1wfd h GLU 82 Ca -0.46 -0.18 0.09 0.00 0.07 0.00 0.00 59.36 58.88 1wfd h GLU 82 Cb 2.14 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 31.26 1wfd h GLU 82 CO 0.04 0.70 -0.40 0.87 0.07 0.00 0.00 179.01 180.29 1wfd h LYS 83 N 0.19 -0.21 -0.55 1.06 1.57 -1.73 0.27 116.57 117.17 1wfd h LYS 83 Ca 0.06 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1wfd h LYS 83 Cb 0.54 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 1wfd h LYS 83 CO 0.03 -0.14 0.09 0.93 -0.57 0.00 0.00 179.45 179.79 1wfd h GLU 84 N -0.21 0.21 0.00 3.15 5.08 -1.73 0.96 114.58 122.04 1wfd h GLU 84 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1wfd h GLU 84 Cb 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wfd h GLU 84 CO -0.68 0.14 0.00 0.38 -1.00 0.00 0.00 179.01 177.86 1wfd h ASP 85 N 0.22 0.00 -0.51 1.42 3.04 -0.34 -2.18 116.42 118.07 1wfd h ASP 85 Ca 0.29 0.00 0.15 0.00 -3.24 0.00 0.00 57.03 54.22 1wfd h ASP 85 Cb 0.42 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.69 1wfd h ASP 85 CO -0.39 0.00 0.70 1.23 -2.04 0.00 0.00 179.24 178.74 1wfd h GLY 86 N 0.04 0.00 0.00 7.15 0.00 0.31 -3.42 103.07 107.15 1wfd h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wfd h GLY 86 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1wfd n LYS 87 N -3.36 0.00 -0.46 4.80 5.02 -0.82 -4.81 118.16 118.53 1wfd n LYS 87 Ca 0.10 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.46 1wfd n LYS 87 Cb 0.89 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.88 1wfd n LYS 87 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wfd n SER 88 N 2.59 -3.88 -4.83 4.39 7.64 -1.26 -4.75 113.62 113.51 1wfd n SER 88 Ca 0.00 0.49 -0.31 0.00 1.01 0.00 0.00 58.87 60.06 1wfd n SER 88 Cb 0.00 -1.54 0.03 0.00 -1.01 0.00 0.00 64.21 61.69 1wfd n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wfd s GLY 89 N -3.72 1.75 0.95 0.23 0.00 -1.26 -5.05 107.32 100.21 1wfd s GLY 89 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.66 1wfd s GLY 89 CO 0.00 0.37 1.16 2.56 0.00 0.00 0.00 173.10 177.18 1wfd s PRO 90 N -4.91 0.83 -0.17 2.90 0.04 -1.26 -4.56 135.00 127.88 1wfd s PRO 90 Ca 0.58 0.17 -0.06 0.00 0.04 0.00 0.00 61.00 61.73 1wfd s PRO 90 Cb -0.13 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1wfd s PRO 90 CO 0.51 -2.38 0.12 0.43 0.04 0.00 0.00 177.00 175.71 1wfd n SER 91 N -3.87 -4.34 -1.85 6.66 7.64 -1.26 -4.80 113.62 111.80 1wfd n SER 91 Ca 0.08 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wfd n SER 91 Cb 0.59 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.52 1wfd n SER 91 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wfd n SER 92 N 1.54 -9.03 0.00 6.43 7.64 -1.26 -5.25 113.62 113.69 1wfd n SER 92 Ca -0.19 1.30 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1wfd n SER 92 Cb 0.35 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64