#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 6.41 -0.30 1.61 1.04 -1.26 -4.97 113.70 116.23 1wfd s SER 2 Ca 0.00 -0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 1wfd s SER 2 Cb 0.00 -2.36 0.17 0.00 0.10 0.00 0.00 66.02 63.93 1wfd s SER 2 CO 0.00 -0.81 1.04 -0.55 0.98 0.00 0.00 173.24 173.90 1wfd s SER 3 N 2.01 -0.47 0.00 7.02 0.15 -1.26 -5.13 113.70 116.03 1wfd s SER 3 Ca 0.27 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1wfd s SER 3 Cb -0.13 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1wfd s SER 3 CO 0.20 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1wfd n GLY 4 N 4.49 0.68 1.56 9.45 0.00 -1.26 -5.13 105.19 114.97 1wfd n GLY 4 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -6.96 -3.64 1.61 2.88 -1.26 -5.10 113.62 101.15 1wfd n SER 5 Ca 0.00 0.97 -0.02 0.00 -1.33 0.00 0.00 58.87 58.49 1wfd n SER 5 Cb 0.00 -3.78 -0.03 0.00 -0.75 0.00 0.00 64.21 59.65 1wfd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wfd s SER 6 N -0.56 -0.03 0.00 -3.46 0.01 -1.26 -5.19 113.70 103.20 1wfd s SER 6 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wfd s SER 6 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1wfd s SER 6 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1wfd n GLY 7 N 0.21 1.11 3.63 3.44 0.00 -1.26 -5.11 105.19 107.21 1wfd n GLY 7 Ca 0.03 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1wfd n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wfd s GLN 8 N -2.00 4.08 0.31 1.61 -0.21 -1.26 -5.04 119.66 117.15 1wfd s GLN 8 Ca 0.00 0.12 -0.06 0.00 0.02 0.00 0.00 55.36 55.44 1wfd s GLN 8 Cb 0.00 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.40 1wfd s GLN 8 CO 0.00 -0.20 0.48 0.34 -2.12 0.00 0.00 175.29 173.79 1wfd s ASP 9 N 1.42 0.52 -0.40 5.90 -1.08 -1.26 -5.10 116.67 116.67 1wfd s ASP 9 Ca 0.17 -1.30 -0.44 0.00 -0.52 0.00 0.00 52.55 50.46 1wfd s ASP 9 Cb -0.15 0.64 -0.18 0.00 -1.46 0.00 0.00 42.92 41.77 1wfd s ASP 9 CO 0.09 -1.26 1.68 -1.54 0.52 0.00 0.00 175.17 174.66 1wfd n SER 10 N -1.06 1.76 0.00 -0.34 3.41 -1.26 -4.86 113.62 111.27 1wfd n SER 10 Ca -0.00 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1wfd n SER 10 Cb 0.62 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1wfd n SER 10 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfd n ASP 11 N 4.71 0.00 -0.52 4.04 9.92 -1.26 -4.58 116.55 128.87 1wfd n ASP 11 Ca 0.29 0.00 0.43 0.00 -0.53 0.00 0.00 54.79 54.98 1wfd n ASP 11 Cb 0.03 0.00 0.75 0.00 -0.64 0.00 0.00 41.12 41.26 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 0.08 -0.65 -2.24 0.02 -1.89 0.20 113.55 109.06 1wfd h SER 12 Ca 0.00 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1wfd h SER 12 Cb 0.00 0.03 -0.12 0.00 0.14 0.00 0.00 62.40 62.45 1wfd h SER 12 CO 0.00 -0.04 -0.37 0.74 -1.14 0.00 0.00 176.83 176.03 1wfd h THR 13 N 0.04 0.12 -0.99 -2.27 2.02 -1.96 0.72 112.91 110.60 1wfd h THR 13 Ca 0.78 0.00 0.34 0.00 0.77 0.00 0.00 66.41 68.31 1wfd h THR 13 Cb 2.95 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 69.32 1wfd h THR 13 CO -0.11 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.26 1wfd h ALA 14 N 0.97 1.90 0.23 6.16 0.00 -0.84 0.77 119.26 128.44 1wfd h ALA 14 Ca 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1wfd h ALA 14 Cb 0.56 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1wfd h ALA 14 CO -0.73 -0.70 -0.11 0.00 0.00 0.00 0.00 179.25 177.71 1wfd h ALA 15 N 1.91 -0.31 -1.00 0.00 0.00 0.30 0.51 119.26 120.67 1wfd h ALA 15 Ca 0.75 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.76 1wfd h ALA 15 Cb 1.78 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.57 1wfd h ALA 15 CO -0.69 -0.57 0.58 0.28 0.00 0.00 0.00 179.25 178.85 1wfd h VAL 16 N -0.50 0.55 0.39 0.00 2.07 0.13 1.55 116.25 120.44 1wfd h VAL 16 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1wfd h VAL 16 Cb 0.38 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1wfd h VAL 16 CO 0.05 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.56 1wfd h ALA 17 N 1.72 -0.54 -1.00 1.67 0.00 -0.49 0.93 119.26 121.54 1wfd h ALA 17 Ca 0.63 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.72 1wfd h ALA 17 Cb 1.17 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1wfd h ALA 17 CO -0.47 -0.51 0.72 -0.24 0.00 0.00 0.00 179.25 178.75 1wfd h VAL 18 N -1.09 0.50 0.07 0.00 3.04 0.95 0.85 116.25 120.58 1wfd h VAL 18 Ca -0.05 -0.01 -0.28 0.00 -1.01 0.00 0.00 66.70 65.36 1wfd h VAL 18 Cb 0.40 0.49 0.03 0.00 -2.01 0.00 0.00 31.29 30.19 1wfd h VAL 18 CO 0.09 0.00 -1.12 -0.07 -1.01 0.00 0.00 177.57 175.46 1wfd h LEU 19 N 0.02 0.87 -0.24 3.16 3.38 0.22 -1.88 115.31 120.84 1wfd h LEU 19 Ca 0.48 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wfd h LEU 19 Cb 1.89 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.36 1wfd h LEU 19 CO -0.01 1.56 0.13 0.50 0.09 0.00 0.00 178.44 180.70 1wfd h LYS 20 N 0.29 0.34 0.38 1.13 1.63 0.31 -2.12 116.57 118.53 1wfd h LYS 20 Ca -0.16 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.58 1wfd h LYS 20 Cb 1.79 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1wfd h LYS 20 CO 0.22 0.32 -0.18 0.00 -3.45 0.00 0.00 179.45 176.35 1wfd h ARG 21 N 0.27 -0.49 -0.78 1.90 2.47 -0.55 -2.84 114.38 114.35 1wfd h ARG 21 Ca 0.08 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.92 1wfd h ARG 21 Cb 0.09 0.11 -0.11 0.00 -1.65 0.00 0.00 29.97 28.41 1wfd h ARG 21 CO -0.01 -0.30 -0.54 0.00 0.56 0.00 0.00 179.97 179.68 1wfd h ALA 22 N 0.04 -0.52 -0.86 0.04 0.00 -1.22 0.36 119.26 117.10 1wfd h ALA 22 Ca -0.05 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1wfd h ALA 22 Cb 0.42 1.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.29 1wfd h ALA 22 CO 0.09 -0.94 -0.38 0.28 0.00 0.00 0.00 179.25 178.29 1wfd h VAL 23 N -0.14 0.06 0.14 0.00 2.07 -1.27 0.47 116.25 117.58 1wfd h VAL 23 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1wfd h VAL 23 Cb 0.50 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1wfd h VAL 23 CO -0.82 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.04 1wfd h GLU 24 N -0.06 -0.59 -0.85 1.57 4.39 -0.13 0.72 114.58 119.64 1wfd h GLU 24 Ca 0.30 0.04 0.22 0.00 0.34 0.00 0.00 59.36 60.26 1wfd h GLU 24 Cb 0.58 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.22 1wfd h GLU 24 CO -0.89 -0.39 0.19 -0.07 -1.16 0.00 0.00 179.01 176.69 1wfd h LEU 25 N -0.61 -0.07 -1.24 1.33 3.38 0.82 1.62 115.31 120.53 1wfd h LEU 25 Ca -0.01 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1wfd h LEU 25 Cb 0.60 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1wfd h LEU 25 CO -0.19 -0.15 0.55 -0.78 0.09 0.00 0.00 178.44 177.95 1wfd h ASP 26 N 0.19 0.79 1.25 -0.43 3.58 0.11 0.45 116.42 122.36 1wfd h ASP 26 Ca 0.52 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.89 1wfd h ASP 26 Cb 1.02 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1wfd h ASP 26 CO -0.65 0.50 -0.44 0.00 -2.88 0.00 0.00 179.24 175.76 1wfd h ALA 27 N 1.56 0.79 -0.01 -0.78 0.00 0.43 -2.75 119.26 118.50 1wfd h ALA 27 Ca 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wfd h ALA 27 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wfd h ALA 27 CO -0.14 0.55 -0.02 0.39 0.00 0.00 0.00 179.25 180.04 1wfd n GLU 28 N -3.33 1.19 -0.99 0.00 -0.58 0.20 -4.86 120.64 112.28 1wfd n GLU 28 Ca 0.01 -0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 1wfd n GLU 28 Cb 0.64 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 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 -0.57 -0.99 -3.48 1.62 3.41 0.09 -4.91 113.62 108.78 1wfd n SER 29 Ca 0.21 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.42 1wfd n SER 29 Cb 0.22 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.26 4.25 -0.19 4.33 1.74 0.12 -4.67 116.66 119.97 1wfd n ARG 30 Ca 0.00 -3.14 0.04 0.00 -0.77 0.00 0.00 57.85 53.97 1wfd n ARG 30 Cb 0.01 -2.72 0.30 0.00 -1.02 0.00 0.00 32.46 29.03 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 4.84 0.85 0.00 -1.55 0.05 -1.87 0.34 116.97 119.64 1wfd h TYR 31 Ca 0.71 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.51 1wfd h TYR 31 Cb 0.34 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1wfd h TYR 31 CO 1.64 0.49 0.10 0.37 -1.05 0.00 0.00 178.16 179.71 1wfd h GLN 32 N 0.88 0.00 0.00 4.88 -0.00 -1.95 0.58 115.11 119.49 1wfd h GLN 32 Ca 0.29 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.66 1wfd h GLN 32 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.50 1wfd h GLN 32 CO -0.09 0.00 -2.08 1.04 0.00 0.00 0.00 178.83 177.71 1wfd n GLN 33 N -2.97 0.74 0.29 1.69 6.02 0.23 -4.29 117.38 119.09 1wfd n GLN 33 Ca -0.03 0.08 0.18 0.00 -0.01 0.00 0.00 57.00 57.23 1wfd n GLN 33 Cb 0.16 -1.38 0.77 0.00 1.02 0.00 0.00 30.24 30.81 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 0.18 1.01 0.21 -1.58 0.00 0.37 -2.27 119.26 117.16 1wfd h ALA 34 Ca -0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1wfd h ALA 34 Cb 1.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1wfd h ALA 34 CO -0.05 0.01 -0.10 1.25 0.00 0.00 0.00 179.25 180.37 1wfd h LEU 35 N 0.00 -0.24 -0.59 0.00 7.12 -0.07 0.07 115.31 121.60 1wfd h LEU 35 Ca -0.00 0.01 0.12 0.00 0.13 0.00 0.00 57.88 58.14 1wfd h LEU 35 Cb 0.43 0.06 -0.11 0.00 -0.53 0.00 0.00 40.66 40.51 1wfd h LEU 35 CO 0.00 -0.08 -0.09 -0.37 -0.13 0.00 0.00 178.44 177.78 1wfd h VAL 36 N -0.46 0.45 0.24 1.05 -1.51 -1.73 0.30 116.25 114.59 1wfd h VAL 36 Ca -0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1wfd h VAL 36 Cb 0.21 0.40 -0.04 0.00 -2.13 0.00 0.00 31.29 29.74 1wfd h VAL 36 CO 0.05 0.01 -0.53 0.00 -1.23 0.00 0.00 177.57 175.87 1wfd h TYR 38 N -0.84 0.93 -0.16 0.00 0.05 0.48 0.31 116.97 117.75 1wfd h TYR 38 Ca -0.02 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.58 1wfd h TYR 38 Cb 0.80 -0.27 0.01 0.00 1.01 0.00 0.00 36.73 38.28 1wfd h TYR 38 CO -0.40 0.10 -0.73 1.96 -1.05 0.00 0.00 178.16 178.04 1wfd h GLN 39 N 0.57 0.73 -0.78 4.88 1.08 0.13 -1.55 115.11 120.17 1wfd h GLN 39 Ca 0.62 -0.57 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1wfd h GLN 39 Cb 1.23 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.71 1wfd h GLN 39 CO -0.41 1.18 0.46 0.93 -0.95 0.00 0.00 178.83 180.04 1wfd h GLU 40 N 0.51 0.80 -0.13 1.46 4.39 0.58 0.22 114.58 122.42 1wfd h GLU 40 Ca -0.04 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.47 1wfd h GLU 40 Cb 1.34 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1wfd h GLU 40 CO 0.15 0.53 -0.49 0.78 -1.16 0.00 0.00 179.01 178.81 1wfd h GLY 41 N 0.83 0.61 0.63 -3.84 0.00 -1.10 -2.44 103.07 97.76 1wfd h GLY 41 Ca 0.35 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1wfd h GLY 41 CO -0.19 0.74 -0.24 -2.22 0.00 0.00 0.00 176.54 174.63 1wfd h ILE 42 N 0.18 0.47 -0.99 2.60 2.04 -0.74 1.36 117.51 122.44 1wfd h ILE 42 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1wfd h ILE 42 Cb 1.13 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 1wfd h ILE 42 CO 0.10 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 178.10 1wfd h ASP 43 N -0.47 0.89 -0.17 1.72 1.82 -0.64 0.96 116.42 120.53 1wfd h ASP 43 Ca 0.02 0.05 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 1wfd h ASP 43 Cb 0.47 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1wfd h ASP 43 CO -0.11 0.47 -0.17 0.24 -1.61 0.00 0.00 179.24 178.06 1wfd h MET 44 N 0.96 0.42 -0.07 0.28 2.86 -0.72 -3.09 114.93 115.56 1wfd h MET 44 Ca 0.49 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1wfd h MET 44 Cb 0.51 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1wfd h MET 44 CO -0.25 0.78 0.03 -0.07 1.06 0.00 0.00 176.91 178.46 1wfd h LEU 45 N 0.06 0.10 -0.98 1.22 3.38 0.29 -2.23 115.31 117.16 1wfd h LEU 45 Ca 0.03 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.95 1wfd h LEU 45 Cb 0.71 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.30 1wfd h LEU 45 CO 0.04 0.24 -0.50 0.18 0.09 0.00 0.00 178.44 178.49 1wfd n LEU 46 N -4.94 -0.87 -0.28 1.67 4.77 0.32 0.19 117.00 117.86 1wfd n LEU 46 Ca -0.06 1.72 0.03 0.00 -0.03 0.00 0.00 56.01 57.67 1wfd n LEU 46 Cb 0.11 -0.29 0.24 0.00 -2.33 0.00 0.00 43.42 41.15 1wfd n LEU 46 CO 0.34 -1.46 1.25 1.56 -1.33 0.00 0.00 177.39 177.75 1wfd h GLN 47 N 0.00 1.01 0.01 3.23 4.20 -1.44 0.51 115.11 122.63 1wfd h GLN 47 Ca 0.23 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1wfd h GLN 47 Cb 0.48 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wfd h GLN 47 CO -0.94 0.67 -0.00 0.28 -0.67 0.00 0.00 178.83 178.16 1wfd h VAL 48 N 1.04 1.12 -0.66 -0.54 2.07 0.28 -2.73 116.25 116.82 1wfd h VAL 48 Ca 0.35 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1wfd h VAL 48 Cb 0.09 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1wfd h VAL 48 CO -0.11 0.10 0.36 0.25 0.02 0.00 0.00 177.57 178.18 1wfd h LEU 49 N -0.17 0.52 -1.86 2.57 6.46 0.21 0.23 115.31 123.27 1wfd h LEU 49 Ca -0.00 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 57.99 1wfd h LEU 49 Cb 0.17 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1wfd h LEU 49 CO 0.00 0.33 0.64 0.11 -0.62 0.00 0.00 178.44 178.91 1wfd h LYS 50 N 0.66 0.00 -2.14 1.25 1.79 -0.62 -2.16 116.57 115.35 1wfd h LYS 50 Ca 0.30 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.18 1wfd h LYS 50 Cb 0.21 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.45 1wfd h LYS 50 CO -0.19 0.00 -0.74 0.41 -1.08 0.00 0.00 179.45 177.84 1wfd n GLY 51 N -1.59 4.32 0.80 3.86 0.00 0.78 -4.80 105.19 108.57 1wfd n GLY 51 Ca 0.14 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1wfd n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfd n THR 52 N 0.92 0.00 0.00 2.61 -1.04 -0.81 -4.90 114.28 111.06 1wfd n THR 52 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1wfd n THR 52 Cb 0.45 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 -2.84 0.00 -1.51 -2.82 4.76 -1.26 -4.81 118.16 109.68 1wfd n LYS 53 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1wfd n LYS 53 Cb 0.47 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.52 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wfd n GLU 54 N 0.00 0.19 -0.34 1.97 -0.58 -1.26 -4.71 120.64 115.91 1wfd n GLU 54 Ca 0.00 -0.03 0.16 0.00 -0.42 0.00 0.00 57.16 56.88 1wfd n GLU 54 Cb 0.00 -1.83 0.32 0.00 -0.57 0.00 0.00 31.44 29.36 1wfd n GLU 54 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wfd n SER 55 N 11.07 -0.07 0.43 1.62 3.41 -1.26 -0.20 113.62 128.62 1wfd n SER 55 Ca 0.61 1.68 -0.17 0.00 -0.26 0.00 0.00 58.87 60.73 1wfd n SER 55 Cb 0.14 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 1wfd n SER 55 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wfd h SER 56 N 0.00 -0.94 -0.73 4.04 4.64 -1.98 -2.05 113.55 116.52 1wfd h SER 56 Ca 0.63 0.03 0.09 0.00 -0.47 0.00 0.00 61.79 62.07 1wfd h SER 56 Cb 1.34 0.24 -0.12 0.00 -0.31 0.00 0.00 62.40 63.55 1wfd h SER 56 CO -0.92 -0.62 -0.48 0.11 -0.87 0.00 0.00 176.83 174.04 1wfd h LYS 57 N -1.21 -0.15 -0.85 4.77 1.57 -1.00 0.65 116.57 120.35 1wfd h LYS 57 Ca -0.11 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.90 1wfd h LYS 57 Cb 0.85 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.06 1wfd h LYS 57 CO 0.19 -0.10 0.20 0.00 -0.57 0.00 0.00 179.45 179.16 1wfd h ARG 58 N -0.16 0.19 0.00 3.15 3.08 -0.55 1.06 114.38 121.16 1wfd h ARG 58 Ca 0.19 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.24 1wfd h ARG 58 Cb 0.54 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1wfd h ARG 58 CO -0.79 0.13 -0.12 0.00 -1.07 0.00 0.00 179.97 178.13 1wfd h VAL 60 N -0.20 0.60 0.15 0.00 2.07 0.15 -0.20 116.25 118.81 1wfd h VAL 60 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1wfd h VAL 60 Cb 0.25 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1wfd h VAL 60 CO -0.12 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 176.95 1wfd h LEU 61 N -0.53 -1.34 -1.89 2.57 3.38 0.13 0.43 115.31 118.06 1wfd h LEU 61 Ca -0.05 0.14 0.35 0.00 0.09 0.00 0.00 57.88 58.40 1wfd h LEU 61 Cb 0.41 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1wfd h LEU 61 CO 0.07 -0.49 0.85 0.03 0.09 0.00 0.00 178.44 179.00 1wfd h ARG 62 N -0.67 0.06 0.01 1.13 3.08 0.11 1.62 114.38 119.71 1wfd h ARG 62 Ca -0.01 -0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 1wfd h ARG 62 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1wfd h ARG 62 CO -0.22 0.04 -0.91 1.15 -1.07 0.00 0.00 179.97 178.96 1wfd h THR 63 N 0.06 1.56 0.08 2.04 2.02 0.12 -2.63 112.91 116.16 1wfd h THR 63 Ca 0.59 -2.83 -0.00 0.00 0.77 0.00 0.00 66.41 64.93 1wfd h THR 63 Cb 2.23 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 71.22 1wfd h THR 63 CO -0.06 0.82 -0.04 0.11 0.37 0.00 0.00 175.52 176.72 1wfd h LYS 64 N 0.06 -0.11 -0.15 6.66 1.57 0.62 -1.51 116.57 123.72 1wfd h LYS 64 Ca -0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1wfd h LYS 64 Cb 1.57 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.87 1wfd h LYS 64 CO 0.13 0.11 -0.26 0.82 -0.57 0.00 0.00 179.45 179.68 1wfd h ILE 65 N -1.01 0.00 -0.52 1.86 2.04 -0.03 0.39 117.51 120.24 1wfd h ILE 65 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 1wfd h ILE 65 Cb 0.26 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.27 1wfd h ILE 65 CO 0.02 0.00 0.08 -1.28 0.00 0.00 0.00 178.15 176.96 1wfd h SER 66 N -0.22 -0.06 -0.04 1.72 0.87 -1.63 0.55 113.55 114.73 1wfd h SER 66 Ca 0.03 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1wfd h SER 66 Cb 0.29 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1wfd h SER 66 CO -0.26 -0.01 0.22 1.23 -0.53 0.00 0.00 176.83 177.49 1wfd h GLY 67 N 0.20 0.00 -0.08 5.77 0.00 -0.09 0.60 103.07 109.48 1wfd h GLY 67 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1wfd h GLY 67 CO -0.37 0.00 -0.84 -1.72 0.00 0.00 0.00 176.54 173.61 1wfd n TYR 68 N -3.10 0.00 0.05 5.60 4.01 0.16 -4.25 117.16 119.63 1wfd n TYR 68 Ca -0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1wfd n TYR 68 Cb 0.29 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.18 0.34 0.12 -0.72 2.86 0.33 -3.08 114.93 114.96 1wfd h MET 69 Ca 0.00 -0.58 -0.00 0.00 -2.06 0.00 0.00 59.70 57.06 1wfd h MET 69 Cb 0.46 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1wfd h MET 69 CO 0.00 1.26 -0.07 0.22 1.06 0.00 0.00 176.91 179.38 1wfd h ASP 70 N 0.09 -0.16 -0.26 1.22 1.82 -1.36 0.15 116.42 117.92 1wfd h ASP 70 Ca -0.36 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.31 1wfd h ASP 70 Cb 2.07 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 42.11 1wfd h ASP 70 CO 0.15 -0.11 0.11 -0.09 -1.61 0.00 0.00 179.24 177.69 1wfd h ARG 71 N -0.18 0.23 -0.16 0.28 9.65 -1.74 -0.59 114.38 121.88 1wfd h ARG 71 Ca -0.01 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1wfd h ARG 71 Cb 0.14 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 1wfd h ARG 71 CO 0.02 0.15 -0.15 0.00 2.80 0.00 0.00 179.97 182.79 1wfd h ALA 72 N 1.15 -0.04 0.11 2.80 0.00 -1.39 -0.77 119.26 121.12 1wfd h ALA 72 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wfd h ALA 72 Cb 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1wfd h ALA 72 CO -0.09 -0.59 -0.21 0.93 0.00 0.00 0.00 179.25 179.29 1wfd h GLU 73 N -0.16 -0.34 -0.98 0.00 5.08 -0.27 0.60 114.58 118.51 1wfd h GLU 73 Ca 0.10 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.78 1wfd h GLU 73 Cb 0.32 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.46 1wfd h GLU 73 CO -0.26 -0.23 0.09 0.09 -1.00 0.00 0.00 179.01 177.71 1wfd n ASN 74 N -3.65 -0.05 0.29 1.42 3.02 -0.27 0.13 115.26 116.17 1wfd n ASN 74 Ca -0.04 1.65 -0.12 0.00 -0.03 0.00 0.00 54.58 56.05 1wfd n ASN 74 Cb 0.18 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 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 -0.65 2.41 2.04 -0.19 -0.58 117.51 120.54 1wfd h ILE 75 Ca 0.63 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 66.50 1wfd h ILE 75 Cb 1.36 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.32 1wfd h ILE 75 CO -0.89 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 177.07 1wfd h LYS 76 N -0.86 -0.11 -0.80 2.37 1.57 0.34 2.16 116.57 121.24 1wfd h LYS 76 Ca -0.08 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.89 1wfd h LYS 76 Cb 0.58 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1wfd h LYS 76 CO 0.13 -0.07 0.54 0.87 -0.57 0.00 0.00 179.45 180.35 1wfd h LYS 77 N -0.11 0.30 0.00 3.15 6.56 0.11 1.12 116.57 127.70 1wfd h LYS 77 Ca 0.27 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.73 1wfd h LYS 77 Cb 0.55 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1wfd h LYS 77 CO -0.72 0.20 -0.89 -0.92 -2.06 0.00 0.00 179.45 175.06 1wfd h TYR 78 N 0.31 0.00 0.01 -1.35 3.20 0.37 -3.15 116.97 116.37 1wfd h TYR 78 Ca 0.40 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 62.05 1wfd h TYR 78 Cb 1.09 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 1wfd h TYR 78 CO -0.00 0.42 -1.05 -0.07 -1.64 0.00 0.00 178.16 175.81 1wfd h LEU 79 N 0.00 0.05 -0.33 2.82 3.38 0.76 -0.59 115.31 121.40 1wfd h LEU 79 Ca -0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1wfd h LEU 79 Cb 1.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1wfd h LEU 79 CO 0.04 1.04 -0.18 0.44 0.09 0.00 0.00 178.44 179.87 1wfd h ASP 80 N 0.01 0.73 -0.08 -0.43 5.19 0.93 -1.44 116.42 121.33 1wfd h ASP 80 Ca -0.03 -0.42 -0.23 0.00 -0.62 0.00 0.00 57.03 55.73 1wfd h ASP 80 Cb 1.80 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 41.12 1wfd h ASP 80 CO 0.14 0.99 -0.86 0.06 -3.12 0.00 0.00 179.24 176.44 1wfd h GLN 81 N 0.47 0.72 -0.38 3.56 3.07 -1.59 -3.13 115.11 117.83 1wfd h GLN 81 Ca 0.07 -0.67 0.03 0.00 0.09 0.00 0.00 58.65 58.16 1wfd h GLN 81 Cb 0.72 0.17 -0.02 0.00 0.08 0.00 0.00 27.48 28.43 1wfd h GLN 81 CO 0.05 1.27 0.25 0.93 0.09 0.00 0.00 178.83 181.42 1wfd h GLU 82 N 0.42 0.41 0.45 0.06 4.39 -1.07 -1.85 114.58 117.39 1wfd h GLU 82 Ca -0.09 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1wfd h GLU 82 Cb 1.51 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.06 1wfd h GLU 82 CO 0.17 0.27 -0.30 -0.22 -1.16 0.00 0.00 179.01 177.77 1wfd h LYS 83 N 0.42 -0.69 -0.25 2.33 3.64 -1.20 -1.66 116.57 119.16 1wfd h LYS 83 Ca 0.15 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1wfd h LYS 83 Cb 0.09 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.99 1wfd h LYS 83 CO -0.04 -0.46 -0.36 0.93 -2.27 0.00 0.00 179.45 177.25 1wfd h GLU 84 N -0.71 -0.35 -0.87 1.90 5.08 -1.53 0.66 114.58 118.76 1wfd h GLU 84 Ca -0.06 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.58 1wfd h GLU 84 Cb 0.58 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1wfd h GLU 84 CO 0.04 -0.24 0.90 -0.44 -1.00 0.00 0.00 179.01 178.27 1wfd h ASP 85 N -0.37 0.00 -1.00 1.42 3.32 -1.25 0.12 116.42 118.67 1wfd h ASP 85 Ca 0.12 0.00 0.39 0.00 0.02 0.00 0.00 57.03 57.56 1wfd h ASP 85 Cb 0.57 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.95 1wfd h ASP 85 CO -0.45 0.00 0.52 1.23 -1.72 0.00 0.00 179.24 178.82 1wfd h GLY 86 N 0.00 2.18 0.00 2.75 0.00 0.13 -3.41 103.07 104.72 1wfd h GLY 86 Ca 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1wfd h GLY 86 CO -0.00 -0.71 0.00 0.28 0.00 0.00 0.00 176.54 176.11 1wfd n LYS 87 N -5.21 0.00 -2.93 4.80 5.02 0.42 -4.81 118.16 115.44 1wfd n LYS 87 Ca 0.36 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1wfd n LYS 87 Cb 1.18 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.19 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 2.68 -7.39 -4.62 4.39 7.64 -1.26 -4.80 113.62 110.26 1wfd n SER 88 Ca 0.00 0.96 -0.43 0.00 1.01 0.00 0.00 58.87 60.41 1wfd n SER 88 Cb 0.00 -3.70 -0.02 0.00 -1.01 0.00 0.00 64.21 59.48 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 -1.38 1.13 0.52 0.23 0.00 -1.26 -4.98 107.32 101.57 1wfd s GLY 89 Ca 0.01 0.32 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 1wfd s GLY 89 CO 0.46 2.99 1.04 2.56 0.00 0.00 0.00 173.10 180.15 1wfd s PRO 90 N 4.86 3.67 -0.61 2.90 0.04 -1.26 -5.01 135.00 139.58 1wfd s PRO 90 Ca 0.71 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 1wfd s PRO 90 Cb -0.22 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.40 1wfd s PRO 90 CO 0.30 -0.54 0.52 0.45 0.04 0.00 0.00 177.00 177.77 1wfd s SER 91 N -2.27 6.05 0.04 6.66 0.15 -1.26 -5.05 113.70 118.01 1wfd s SER 91 Ca 0.66 -2.25 -0.23 0.00 0.70 0.00 0.00 55.95 54.82 1wfd s SER 91 Cb -0.16 -2.09 -0.06 0.00 -1.71 0.00 0.00 66.02 62.01 1wfd s SER 91 CO 0.25 -0.65 0.70 -0.94 1.20 0.00 0.00 173.24 173.81 1wfd s SER 92 N 2.43 7.14 0.00 5.45 1.04 -1.26 -5.37 113.70 123.14 1wfd s SER 92 Ca 0.10 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1wfd s SER 92 Cb -0.22 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1wfd s SER 92 CO -0.03 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.88