#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 -0.64 -0.41 1.61 0.01 -1.26 -5.10 113.70 107.91 1wfd s SER 2 Ca 0.00 1.12 -0.28 0.00 1.31 0.00 0.00 55.95 58.10 1wfd s SER 2 Cb 0.00 1.04 -0.08 0.00 0.21 0.00 0.00 66.02 67.20 1wfd s SER 2 CO 0.00 -0.20 2.34 -0.24 0.41 0.00 0.00 173.24 175.55 1wfd n SER 3 N 3.76 2.49 0.00 2.44 2.88 -1.26 -4.82 113.62 119.11 1wfd n SER 3 Ca -0.19 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1wfd n SER 3 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 6.03 1.08 3.49 0.46 0.00 -1.26 -5.09 105.19 109.91 1wfd n GLY 4 Ca 0.37 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 6.67 0.24 1.61 0.15 -1.26 -4.43 113.70 116.69 1wfd s SER 5 Ca 0.00 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1wfd s SER 5 Cb 0.00 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1wfd s SER 5 CO 0.00 -1.14 0.00 -0.24 1.20 0.00 0.00 173.24 173.06 1wfd n SER 6 N 7.16 -0.14 -0.47 5.45 2.88 -1.26 -5.12 113.62 122.12 1wfd n SER 6 Ca 0.30 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1wfd n SER 6 Cb 0.48 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 1.53 0.65 2.58 0.46 0.00 -1.26 -4.96 105.19 104.18 1wfd n GLY 7 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1wfd n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wfd n GLN 8 N 0.00 -4.12 -3.71 1.61 6.02 -1.26 -5.07 117.38 110.86 1wfd n GLN 8 Ca 0.00 3.16 -0.12 0.00 -0.01 0.00 0.00 57.00 60.03 1wfd n GLN 8 Cb 0.00 -5.00 -0.10 0.00 1.02 0.00 0.00 30.24 26.16 1wfd n GLN 8 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1wfd s ASP 9 N -0.92 -0.52 0.00 1.08 2.15 -1.26 -5.05 116.67 112.16 1wfd s ASP 9 Ca -0.20 0.97 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1wfd s ASP 9 Cb 0.01 0.95 0.00 0.00 -0.30 0.00 0.00 42.92 43.59 1wfd s ASP 9 CO 0.76 -0.17 0.00 -0.24 -0.17 0.00 0.00 175.17 175.35 1wfd n SER 10 N 3.16 0.00 0.02 -0.34 2.88 -1.26 -4.97 113.62 113.11 1wfd n SER 10 Ca -0.15 -0.83 -0.01 0.00 -1.33 0.00 0.00 58.87 56.54 1wfd n SER 10 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1wfd n SER 10 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1wfd h ASP 11 N 0.00 -0.07 -0.19 -3.46 1.82 -2.01 -3.26 116.42 109.24 1wfd h ASP 11 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.70 1wfd h ASP 11 Cb 0.00 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 1wfd h ASP 11 CO 0.00 0.05 0.17 0.28 -1.61 0.00 0.00 179.24 178.14 1wfd h SER 12 N -0.30 0.00 -0.13 2.28 0.02 -1.98 -2.35 113.55 111.10 1wfd h SER 12 Ca -0.01 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1wfd h SER 12 Cb 0.07 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1wfd h SER 12 CO 0.01 0.00 -0.43 0.74 -1.14 0.00 0.00 176.83 176.02 1wfd h THR 13 N 0.00 0.14 -1.21 -2.27 2.02 -1.94 0.29 112.91 109.94 1wfd h THR 13 Ca 0.09 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.64 1wfd h THR 13 Cb 0.44 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 66.88 1wfd h THR 13 CO -0.00 0.00 0.79 0.00 0.37 0.00 0.00 175.52 176.67 1wfd h ALA 14 N 0.09 2.57 -0.37 6.16 0.00 -1.46 1.52 119.26 127.77 1wfd h ALA 14 Ca 0.07 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wfd h ALA 14 Cb 0.63 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wfd h ALA 14 CO -0.40 -1.09 -0.11 0.00 0.00 0.00 0.00 179.25 177.65 1wfd h ALA 15 N 1.59 0.52 -0.97 0.00 0.00 -0.58 0.40 119.26 120.21 1wfd h ALA 15 Ca 0.72 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1wfd h ALA 15 Cb 2.15 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.75 1wfd h ALA 15 CO -0.34 0.39 0.63 0.28 0.00 0.00 0.00 179.25 180.21 1wfd h VAL 16 N 0.53 1.13 0.36 0.00 2.07 0.34 1.17 116.25 121.85 1wfd h VAL 16 Ca 0.09 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1wfd h VAL 16 Cb 0.63 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1wfd h VAL 16 CO 0.04 0.22 -0.17 0.00 0.02 0.00 0.00 177.57 177.68 1wfd h ALA 17 N 1.41 -0.48 -0.68 1.67 0.00 -0.80 -0.30 119.26 120.08 1wfd h ALA 17 Ca 0.40 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.32 1wfd h ALA 17 Cb 0.07 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1wfd h ALA 17 CO -0.14 -0.46 0.15 -0.24 0.00 0.00 0.00 179.25 178.56 1wfd h VAL 18 N -1.10 0.56 -0.00 0.00 3.04 -0.03 0.47 116.25 119.19 1wfd h VAL 18 Ca -0.05 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1wfd h VAL 18 Cb 0.42 0.28 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1wfd h VAL 18 CO 0.08 0.05 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.61 1wfd h LEU 19 N 0.26 -0.01 0.22 3.16 3.38 0.13 0.13 115.31 122.59 1wfd h LEU 19 Ca 0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.35 1wfd h LEU 19 Cb 0.60 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1wfd h LEU 19 CO -0.47 -0.01 -0.40 0.11 0.09 0.00 0.00 178.44 177.76 1wfd h LYS 20 N -0.01 -0.68 -0.64 1.13 1.57 0.90 -1.16 116.57 117.67 1wfd h LYS 20 Ca 0.00 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1wfd h LYS 20 Cb 0.01 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 1wfd h LYS 20 CO -0.01 -0.45 0.11 0.00 -0.57 0.00 0.00 179.45 178.54 1wfd h ARG 21 N -0.70 0.22 -0.06 3.15 2.47 0.02 -1.81 114.38 117.67 1wfd h ARG 21 Ca 0.00 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1wfd h ARG 21 Cb 0.69 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.91 1wfd h ARG 21 CO -0.17 0.15 -0.43 0.00 0.56 0.00 0.00 179.97 180.07 1wfd h ALA 22 N 1.54 -0.83 -0.98 0.04 0.00 0.09 -0.42 119.26 118.70 1wfd h ALA 22 Ca 0.35 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1wfd h ALA 22 Cb 0.55 0.90 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 1wfd h ALA 22 CO -0.46 -0.98 -0.48 0.28 0.00 0.00 0.00 179.25 177.61 1wfd n VAL 23 N -4.86 -0.59 -0.05 0.00 0.31 -0.52 0.27 118.33 112.89 1wfd n VAL 23 Ca -0.05 2.33 -0.11 0.00 -0.01 0.00 0.00 64.34 66.50 1wfd n VAL 23 Cb 0.31 -2.97 -0.07 0.00 -0.91 0.00 0.00 33.84 30.19 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 -0.35 -0.87 5.55 4.39 -0.82 0.24 114.58 122.73 1wfd h GLU 24 Ca 0.25 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.19 1wfd h GLU 24 Cb 0.49 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.09 1wfd h GLU 24 CO -0.94 -0.23 0.32 -0.07 -1.16 0.00 0.00 179.01 176.92 1wfd h LEU 25 N -0.36 0.19 -1.14 1.33 3.38 0.76 1.21 115.31 120.68 1wfd h LEU 25 Ca 0.04 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1wfd h LEU 25 Cb 0.46 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1wfd h LEU 25 CO -0.36 -0.05 0.59 -0.78 0.09 0.00 0.00 178.44 177.92 1wfd h ASP 26 N 0.32 0.92 1.15 -0.43 3.58 0.23 0.44 116.42 122.63 1wfd h ASP 26 Ca 0.54 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.91 1wfd h ASP 26 Cb 1.03 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1wfd h ASP 26 CO -0.56 0.59 -0.40 0.00 -2.88 0.00 0.00 179.24 175.99 1wfd h ALA 27 N 1.50 0.86 -0.01 -0.78 0.00 0.43 -2.60 119.26 118.65 1wfd h ALA 27 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wfd h ALA 27 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wfd h ALA 27 CO -0.15 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.00 1wfd n GLU 28 N -3.37 1.29 -0.96 0.00 -0.58 0.15 -4.86 120.64 112.32 1wfd n GLU 28 Ca 0.01 -0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 1wfd n GLU 28 Cb 0.59 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 -0.47 -1.77 -3.19 1.62 7.64 -0.11 -4.90 113.62 112.43 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 0.21 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.19 3.92 -0.17 1.43 1.74 0.12 -4.66 116.66 116.85 1wfd n ARG 30 Ca 0.00 -2.94 0.12 0.00 -0.77 0.00 0.00 57.85 54.25 1wfd n ARG 30 Cb 0.04 -2.53 0.44 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 4.26 0.61 0.00 -1.55 0.05 -1.86 0.43 116.97 118.91 1wfd h TYR 31 Ca 0.64 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.44 1wfd h TYR 31 Cb 0.44 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1wfd h TYR 31 CO 1.63 0.27 0.05 0.37 -1.05 0.00 0.00 178.16 179.43 1wfd h GLN 32 N 0.55 0.00 0.00 4.88 -0.00 -1.94 0.66 115.11 119.26 1wfd h GLN 32 Ca 0.35 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.75 1wfd h GLN 32 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.05 1wfd h GLN 32 CO -0.12 0.00 -1.95 1.04 0.00 0.00 0.00 178.83 177.80 1wfd n GLN 33 N -2.83 0.63 0.28 1.69 6.02 0.12 -4.33 117.38 118.96 1wfd n GLN 33 Ca -0.02 0.08 0.17 0.00 -0.01 0.00 0.00 57.00 57.22 1wfd n GLN 33 Cb 0.11 -1.34 0.74 0.00 1.02 0.00 0.00 30.24 30.77 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 0.10 1.02 0.36 -1.58 0.00 0.05 -1.99 119.26 117.22 1wfd h ALA 34 Ca -0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wfd h ALA 34 Cb 1.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1wfd h ALA 34 CO -0.05 0.04 -0.17 1.25 0.00 0.00 0.00 179.25 180.32 1wfd h LEU 35 N 0.00 -0.41 -0.41 0.00 7.12 0.10 0.21 115.31 121.93 1wfd h LEU 35 Ca -0.00 0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.10 1wfd h LEU 35 Cb 0.46 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 1wfd h LEU 35 CO 0.00 -0.16 -0.04 -0.37 -0.13 0.00 0.00 178.44 177.74 1wfd h VAL 36 N -0.74 0.65 -0.25 1.05 -1.51 -1.74 0.30 116.25 114.02 1wfd h VAL 36 Ca -0.05 -0.02 0.06 0.00 -1.23 0.00 0.00 66.70 65.46 1wfd h VAL 36 Cb 0.37 0.58 -0.07 0.00 -2.13 0.00 0.00 31.29 30.04 1wfd h VAL 36 CO 0.08 0.01 -0.25 0.00 -1.23 0.00 0.00 177.57 176.18 1wfd h TYR 38 N -0.25 0.88 -0.16 0.00 0.05 0.45 -1.15 116.97 116.79 1wfd h TYR 38 Ca 0.14 0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.72 1wfd h TYR 38 Cb 0.47 -0.29 0.01 0.00 1.01 0.00 0.00 36.73 37.93 1wfd h TYR 38 CO -0.40 0.44 -0.75 1.96 -1.05 0.00 0.00 178.16 178.35 1wfd h GLN 39 N 0.84 0.77 -0.98 4.88 1.08 0.22 -1.40 115.11 120.53 1wfd h GLN 39 Ca 0.37 -0.61 0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1wfd h GLN 39 Cb 0.33 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.82 1wfd h GLN 39 CO -0.14 1.22 0.63 0.93 -0.95 0.00 0.00 178.83 180.53 1wfd h GLU 40 N 0.53 1.09 0.05 1.46 4.39 0.34 0.13 114.58 122.58 1wfd h GLU 40 Ca -0.04 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wfd h GLU 40 Cb 1.37 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1wfd h GLU 40 CO 0.15 0.72 -0.02 0.78 -1.16 0.00 0.00 179.01 179.48 1wfd h GLY 41 N 1.12 -0.07 -0.25 -3.84 0.00 -1.23 -2.64 103.07 96.16 1wfd h GLY 41 Ca 0.43 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.90 1wfd h GLY 41 CO -0.17 -0.03 -0.19 -2.22 0.00 0.00 0.00 176.54 173.94 1wfd h ILE 42 N -0.81 0.35 -0.85 2.60 2.04 -0.98 1.60 117.51 121.46 1wfd h ILE 42 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1wfd h ILE 42 Cb 0.65 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1wfd h ILE 42 CO 0.01 0.00 0.53 -0.78 0.00 0.00 0.00 178.15 177.91 1wfd h ASP 43 N -0.04 0.84 -0.22 1.72 1.82 -1.06 0.74 116.42 120.22 1wfd h ASP 43 Ca 0.28 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.88 1wfd h ASP 43 Cb 0.47 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1wfd h ASP 43 CO -0.63 0.54 -0.05 0.24 -1.61 0.00 0.00 179.24 177.73 1wfd h MET 44 N 0.97 0.42 -0.06 0.28 2.86 0.33 -3.01 114.93 116.72 1wfd h MET 44 Ca 0.36 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1wfd h MET 44 Cb 0.14 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1wfd h MET 44 CO -0.16 0.66 0.03 -0.07 1.06 0.00 0.00 176.91 178.43 1wfd h LEU 45 N 0.14 0.08 -1.00 1.22 3.38 0.27 -2.11 115.31 117.29 1wfd h LEU 45 Ca 0.05 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.03 1wfd h LEU 45 Cb 0.51 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 1wfd h LEU 45 CO 0.02 0.17 -0.50 0.18 0.09 0.00 0.00 178.44 178.41 1wfd n LEU 46 N -4.99 -0.86 -0.22 1.67 4.77 0.25 0.20 117.00 117.81 1wfd n LEU 46 Ca -0.06 1.76 0.04 0.00 -0.03 0.00 0.00 56.01 57.72 1wfd n LEU 46 Cb 0.09 -0.31 0.29 0.00 -2.33 0.00 0.00 43.42 41.15 1wfd n LEU 46 CO 0.34 -1.51 1.23 1.56 -1.33 0.00 0.00 177.39 177.68 1wfd h GLN 47 N 0.00 0.89 0.27 3.23 4.20 -1.38 0.37 115.11 122.69 1wfd h GLN 47 Ca 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1wfd h GLN 47 Cb 0.50 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1wfd h GLN 47 CO -0.97 0.59 -0.13 0.28 -0.67 0.00 0.00 178.83 177.94 1wfd h VAL 48 N 0.92 0.78 -0.06 -0.54 2.07 0.29 -2.43 116.25 117.28 1wfd h VAL 48 Ca 0.32 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1wfd h VAL 48 Cb 0.10 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1wfd h VAL 48 CO -0.10 0.09 -0.06 0.25 0.02 0.00 0.00 177.57 177.77 1wfd h LEU 49 N -0.57 -0.19 -1.13 2.57 7.12 0.19 -0.94 115.31 122.36 1wfd h LEU 49 Ca -0.04 0.04 0.35 0.00 0.13 0.00 0.00 57.88 58.36 1wfd h LEU 49 Cb 0.41 0.09 -0.14 0.00 -0.53 0.00 0.00 40.66 40.50 1wfd h LEU 49 CO 0.06 -0.09 0.64 0.11 -0.13 0.00 0.00 178.44 179.03 1wfd h LYS 50 N -0.08 0.25 -1.49 1.25 1.79 -0.22 0.93 116.57 118.99 1wfd h LYS 50 Ca 0.05 -0.01 -0.71 0.00 -2.18 0.00 0.00 60.65 57.79 1wfd h LYS 50 Cb 0.14 -0.06 -0.30 0.00 -1.58 0.00 0.00 32.23 30.44 1wfd h LYS 50 CO -0.11 0.16 0.78 0.41 -1.08 0.00 0.00 179.45 179.62 1wfd n GLY 51 N -1.36 5.75 2.70 3.86 0.00 -0.37 -4.84 105.19 110.92 1wfd n GLY 51 Ca 0.33 -2.44 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 -4.98 0.66 0.16 2.61 2.01 0.32 -4.97 115.64 111.45 1wfd s THR 52 Ca 0.57 -1.16 0.06 0.00 0.31 0.00 0.00 61.69 61.47 1wfd s THR 52 Cb 0.47 -1.45 -0.17 0.00 0.01 0.00 0.00 72.50 71.35 1wfd s THR 52 CO -0.21 -0.62 1.35 0.11 -0.69 0.00 0.00 174.62 174.56 1wfd h LYS 53 N 8.17 0.06 -6.02 4.92 1.79 -1.88 -3.43 116.57 120.17 1wfd h LYS 53 Ca -0.15 -0.08 -0.76 0.00 -2.18 0.00 0.00 60.65 57.48 1wfd h LYS 53 Cb 1.03 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1wfd h LYS 53 CO 0.45 0.93 1.19 0.39 -1.08 0.00 0.00 179.45 181.33 1wfd n GLU 54 N -3.51 0.39 0.31 3.15 -0.58 -1.26 -4.74 120.64 114.39 1wfd n GLU 54 Ca -0.02 0.12 0.17 0.00 -0.42 0.00 0.00 57.16 57.02 1wfd n GLU 54 Cb 0.86 -1.79 0.99 0.00 -0.57 0.00 0.00 31.44 30.92 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 8.90 0.00 0.00 1.62 4.64 -2.00 -0.61 113.55 126.10 1wfd h SER 55 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1wfd h SER 55 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1wfd h SER 55 CO 1.04 0.01 -0.21 0.28 -0.87 0.00 0.00 176.83 177.07 1wfd h SER 56 N 0.00 0.00 -0.99 4.97 0.02 -1.97 -3.30 113.55 112.28 1wfd h SER 56 Ca -0.00 0.00 0.24 0.00 -0.84 0.00 0.00 61.79 61.19 1wfd h SER 56 Cb 0.02 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.38 1wfd h SER 56 CO 0.00 0.37 -0.09 0.11 -1.14 0.00 0.00 176.83 176.08 1wfd h LYS 57 N -0.54 0.00 -0.61 3.45 1.57 -1.92 1.31 116.57 119.83 1wfd h LYS 57 Ca 0.00 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1wfd h LYS 57 Cb 0.21 -0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.43 1wfd h LYS 57 CO 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 179.45 178.96 1wfd h ARG 58 N 0.00 0.19 0.31 3.15 3.08 -1.29 1.34 114.38 121.15 1wfd h ARG 58 Ca 0.54 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1wfd h ARG 58 Cb 1.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1wfd h ARG 58 CO -0.96 0.12 -0.34 0.00 -1.07 0.00 0.00 179.97 177.72 1wfd h VAL 60 N -0.69 0.34 0.05 0.00 2.07 -0.23 0.43 116.25 118.22 1wfd h VAL 60 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1wfd h VAL 60 Cb 0.64 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1wfd h VAL 60 CO -0.08 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.25 1wfd h LEU 61 N -0.63 -0.57 -1.78 2.57 3.38 0.20 0.69 115.31 119.17 1wfd h LEU 61 Ca -0.00 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.37 1wfd h LEU 61 Cb 0.59 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.48 1wfd h LEU 61 CO -0.09 -0.20 0.85 0.03 0.09 0.00 0.00 178.44 179.12 1wfd h ARG 62 N -0.27 0.11 -0.04 1.13 3.08 0.16 1.59 114.38 120.13 1wfd h ARG 62 Ca -0.00 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 1wfd h ARG 62 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1wfd h ARG 62 CO -0.10 0.07 -0.74 1.15 -1.07 0.00 0.00 179.97 179.28 1wfd h THR 63 N 0.11 1.43 0.09 2.04 2.02 0.21 -2.31 112.91 116.49 1wfd h THR 63 Ca 0.62 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.54 1wfd h THR 63 Cb 2.22 2.21 0.00 0.00 -1.74 0.00 0.00 68.15 70.83 1wfd h THR 63 CO -0.12 0.67 -0.04 0.11 0.37 0.00 0.00 175.52 176.50 1wfd h LYS 64 N 0.17 -0.11 -0.03 6.66 1.57 0.80 -1.44 116.57 124.18 1wfd h LYS 64 Ca -0.03 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wfd h LYS 64 Cb 1.30 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1wfd h LYS 64 CO 0.12 0.38 -0.18 0.82 -0.57 0.00 0.00 179.45 180.02 1wfd h ILE 65 N -0.92 0.00 -0.60 1.86 2.04 -0.33 0.36 117.51 119.92 1wfd h ILE 65 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1wfd h ILE 65 Cb 0.55 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1wfd h ILE 65 CO 0.02 0.00 0.07 -1.28 0.00 0.00 0.00 178.15 176.96 1wfd h SER 66 N -0.20 -0.13 -0.20 1.72 0.87 -1.57 0.74 113.55 114.79 1wfd h SER 66 Ca 0.01 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1wfd h SER 66 Cb 0.22 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1wfd h SER 66 CO -0.14 -0.06 0.26 1.23 -0.53 0.00 0.00 176.83 177.60 1wfd h GLY 67 N 0.18 0.00 0.09 5.77 0.00 -0.32 0.52 103.07 109.32 1wfd h GLY 67 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1wfd h GLY 67 CO -0.46 0.00 -0.96 -1.72 0.00 0.00 0.00 176.54 173.40 1wfd n TYR 68 N -3.61 0.00 0.01 5.60 4.01 0.22 -4.18 117.16 119.21 1wfd n TYR 68 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 1wfd n TYR 68 Cb 0.38 -0.03 -0.14 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.25 0.11 -0.72 2.86 0.37 -3.03 114.93 114.78 1wfd h MET 69 Ca 0.00 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.23 1wfd h MET 69 Cb 0.50 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1wfd h MET 69 CO 0.00 1.21 -0.23 0.22 1.06 0.00 0.00 176.91 179.16 1wfd h ASP 70 N -0.31 -0.66 0.09 1.22 1.82 -1.33 0.11 116.42 117.35 1wfd h ASP 70 Ca -0.28 0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1wfd h ASP 70 Cb 1.74 0.25 -0.03 0.00 0.68 0.00 0.00 39.33 41.97 1wfd h ASP 70 CO 0.07 -0.32 -0.23 -0.09 -1.61 0.00 0.00 179.24 177.06 1wfd h ARG 71 N -0.43 -0.39 -0.48 0.28 9.65 -1.73 -0.08 114.38 121.20 1wfd h ARG 71 Ca 0.03 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.03 1wfd h ARG 71 Cb 0.45 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.02 1wfd h ARG 71 CO -0.14 -0.26 -0.27 0.00 2.80 0.00 0.00 179.97 182.10 1wfd h ALA 72 N 0.39 0.01 0.10 2.80 0.00 -1.35 0.47 119.26 121.68 1wfd h ALA 72 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wfd h ALA 72 Cb 0.45 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1wfd h ALA 72 CO -0.15 -0.63 -0.17 0.93 0.00 0.00 0.00 179.25 179.24 1wfd h GLU 73 N -0.16 -0.27 -0.94 0.00 5.08 -0.25 0.62 114.58 118.65 1wfd h GLU 73 Ca 0.21 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.99 1wfd h GLU 73 Cb 0.51 0.06 -0.17 0.00 0.50 0.00 0.00 28.75 29.65 1wfd h GLU 73 CO -0.58 -0.18 0.50 0.09 -1.00 0.00 0.00 179.01 177.85 1wfd n ASN 74 N -3.35 0.33 0.20 1.42 3.02 -0.09 0.14 115.26 116.93 1wfd n ASN 74 Ca -0.03 1.57 -0.09 0.00 -0.03 0.00 0.00 54.58 56.00 1wfd n ASN 74 Cb 0.14 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.51 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 -0.61 2.41 2.04 0.30 -1.80 117.51 119.85 1wfd h ILE 75 Ca 0.80 -0.32 0.12 0.00 1.00 0.00 0.00 64.86 66.47 1wfd h ILE 75 Cb 2.11 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 38.07 1wfd h ILE 75 CO -0.73 0.00 -0.19 0.11 0.00 0.00 0.00 178.15 177.34 1wfd h LYS 76 N -0.87 -0.04 -0.47 2.37 1.57 0.44 2.04 116.57 121.61 1wfd h LYS 76 Ca -0.06 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1wfd h LYS 76 Cb 0.43 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1wfd h LYS 76 CO 0.09 -0.03 0.35 0.87 -0.57 0.00 0.00 179.45 180.17 1wfd h LYS 77 N -0.04 0.00 0.00 3.15 6.56 0.12 0.95 116.57 127.30 1wfd h LYS 77 Ca 0.29 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.75 1wfd h LYS 77 Cb 0.48 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1wfd h LYS 77 CO -0.65 0.00 -1.28 -0.92 -2.06 0.00 0.00 179.45 174.54 1wfd h TYR 78 N 0.00 0.00 0.12 -1.35 3.20 0.29 -3.25 116.97 115.99 1wfd h TYR 78 Ca 0.22 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.85 1wfd h TYR 78 Cb 0.92 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.22 1wfd h TYR 78 CO 0.00 0.46 -1.02 -0.07 -1.64 0.00 0.00 178.16 175.89 1wfd h LEU 79 N 0.00 0.69 -0.78 2.82 3.38 0.62 -0.28 115.31 121.76 1wfd h LEU 79 Ca -0.12 -0.87 0.04 0.00 0.09 0.00 0.00 57.88 57.02 1wfd h LEU 79 Cb 1.46 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 1wfd h LEU 79 CO 0.04 1.49 0.49 -0.78 0.09 0.00 0.00 178.44 179.77 1wfd h ASP 80 N -0.01 0.80 0.19 -0.43 1.82 0.57 0.37 116.42 119.73 1wfd h ASP 80 Ca -0.16 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.26 1wfd h ASP 80 Cb 1.75 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1wfd h ASP 80 CO 0.20 0.55 -0.84 0.06 -1.61 0.00 0.00 179.24 177.60 1wfd h GLN 81 N 0.95 0.50 0.00 0.28 3.07 -1.61 -2.98 115.11 115.32 1wfd h GLN 81 Ca 0.31 -0.46 -0.03 0.00 0.09 0.00 0.00 58.65 58.57 1wfd h GLN 81 Cb 0.03 0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.70 1wfd h GLN 81 CO -0.12 1.10 -0.13 0.93 0.09 0.00 0.00 178.83 180.69 1wfd h GLU 82 N 0.32 0.00 0.38 0.06 4.39 -0.22 0.24 114.58 119.75 1wfd h GLU 82 Ca -0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1wfd h GLU 82 Cb 1.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1wfd h GLU 82 CO 0.15 0.13 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.73 1wfd h LYS 83 N 0.00 -0.49 -0.08 2.33 3.64 -0.14 -2.84 116.57 118.98 1wfd h LYS 83 Ca -0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1wfd h LYS 83 Cb 0.48 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1wfd h LYS 83 CO 0.02 -0.33 -0.02 1.05 -2.27 0.00 0.00 179.45 177.90 1wfd h GLU 84 N -0.73 0.11 -0.22 1.90 -0.00 -1.51 -0.37 114.58 113.75 1wfd h GLU 84 Ca -0.05 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.36 1wfd h GLU 84 Cb 0.39 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.11 1wfd h GLU 84 CO 0.09 0.15 0.18 -0.44 -0.00 0.00 0.00 179.01 178.99 1wfd h ASP 85 N 0.11 0.00 -0.87 3.06 3.32 -0.93 -2.30 116.42 118.81 1wfd h ASP 85 Ca 0.03 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.38 1wfd h ASP 85 Cb 0.12 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.51 1wfd h ASP 85 CO 0.00 0.00 0.25 0.61 -1.72 0.00 0.00 179.24 178.38 1wfd n GLY 86 N -1.52 -0.91 4.26 2.75 0.00 -0.15 -4.72 105.19 104.90 1wfd n GLY 86 Ca 0.02 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 -5.11 -0.94 -3.26 1.61 5.02 -0.87 -4.89 118.16 109.71 1wfd n LYS 87 Ca 0.27 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1wfd n LYS 87 Cb 0.90 -3.46 -0.03 0.00 -0.02 0.00 0.00 35.03 32.42 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wfd s SER 88 N -4.34 -0.97 0.00 4.39 0.15 -1.26 -5.15 113.70 106.52 1wfd s SER 88 Ca 0.00 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wfd s SER 88 Cb -0.00 1.93 0.00 0.00 -1.71 0.00 0.00 66.02 66.23 1wfd s SER 88 CO 0.97 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1wfd n GLY 89 N 5.42 -0.94 0.18 9.45 0.00 -1.26 -5.02 105.19 113.01 1wfd n GLY 89 Ca -0.03 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 1wfd n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfd h PRO 90 N 0.00 0.59 -0.48 1.61 0.13 -2.05 -3.46 132.00 128.35 1wfd h PRO 90 Ca 0.00 -0.57 0.22 0.00 -0.87 0.00 0.00 66.00 64.77 1wfd h PRO 90 Cb 0.00 0.15 -0.22 0.00 0.13 0.00 0.00 31.00 31.06 1wfd h PRO 90 CO 0.00 1.19 0.13 -1.54 -0.23 0.00 0.00 178.00 177.55 1wfd s SER 91 N -6.96 -0.54 0.47 1.44 1.04 -1.26 -5.15 113.70 102.74 1wfd s SER 91 Ca -0.12 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1wfd s SER 91 Cb 0.06 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.66 1wfd s SER 91 CO 0.87 -0.10 0.00 -0.24 0.98 0.00 0.00 173.24 174.75 1wfd n SER 92 N 5.36 -7.21 0.00 7.02 2.88 -1.26 -5.17 113.62 115.23 1wfd n SER 92 Ca -0.07 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1wfd n SER 92 Cb 0.53 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42