#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 4.28 0.37 1.61 1.04 -1.26 -4.91 113.70 114.83 1wfd s SER 2 Ca 0.00 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1wfd s SER 2 Cb 0.00 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1wfd s SER 2 CO 0.00 -2.05 0.00 -1.54 0.98 0.00 0.00 173.24 170.63 1wfd n SER 3 N -3.42 -6.43 0.00 7.02 3.41 -1.26 -5.00 113.62 107.95 1wfd n SER 3 Ca 0.08 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1wfd n SER 3 Cb 0.61 -3.90 0.00 0.00 -0.26 0.00 0.00 64.21 60.66 1wfd n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfd n GLY 4 N -3.72 -1.36 3.59 5.00 0.00 -1.26 -4.94 105.19 102.49 1wfd n GLY 4 Ca -0.03 -2.00 -0.56 0.00 0.00 0.00 0.00 46.02 43.43 1wfd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfd n SER 5 N 0.00 2.16 -4.19 1.61 7.64 -1.26 -4.78 113.62 114.80 1wfd n SER 5 Ca 0.00 0.84 -0.39 0.00 1.01 0.00 0.00 58.87 60.33 1wfd n SER 5 Cb 0.00 -1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 62.02 1wfd n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wfd n SER 6 N 6.93 3.77 0.00 6.43 3.41 -1.26 -4.71 113.62 128.18 1wfd n SER 6 Ca 0.34 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1wfd n SER 6 Cb 0.14 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.49 1wfd n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfd n GLY 7 N 5.00 -0.61 4.95 5.00 0.00 -1.26 -5.02 105.19 113.26 1wfd n GLY 7 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wfd n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wfd n GLN 8 N 0.00 0.00 0.00 1.61 7.27 -1.26 -4.80 117.38 120.20 1wfd n GLN 8 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1wfd n GLN 8 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1wfd n GLN 8 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1wfd n ASP 9 N 3.15 -0.94 -4.44 1.69 2.03 -1.26 -5.08 116.55 111.70 1wfd n ASP 9 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1wfd n ASP 9 Cb 0.00 0.98 -0.10 0.00 -0.72 0.00 0.00 41.12 41.27 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1wfd s SER 10 N -1.99 2.65 0.00 1.67 1.04 -1.26 -5.10 113.70 110.72 1wfd s SER 10 Ca 0.00 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1wfd s SER 10 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1wfd s SER 10 CO 0.00 -0.43 0.00 -0.90 0.98 0.00 0.00 173.24 172.89 1wfd n ASP 11 N -0.62 0.00 0.08 7.02 5.75 -1.26 -4.74 116.55 122.78 1wfd n ASP 11 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.64 1wfd n ASP 11 Cb 0.64 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.65 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1wfd h SER 12 N 0.00 0.15 0.18 -1.12 0.02 -1.99 -3.32 113.55 107.47 1wfd h SER 12 Ca 0.00 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1wfd h SER 12 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1wfd h SER 12 CO 0.00 1.07 -0.37 0.74 -1.14 0.00 0.00 176.83 177.13 1wfd h THR 13 N 0.04 0.24 -1.24 -2.27 2.02 -1.99 0.11 112.91 109.82 1wfd h THR 13 Ca -0.05 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.49 1wfd h THR 13 Cb 1.74 0.24 -0.09 0.00 -1.74 0.00 0.00 68.15 68.29 1wfd h THR 13 CO 0.15 0.00 0.83 0.00 0.37 0.00 0.00 175.52 176.87 1wfd h ALA 14 N -0.10 2.75 0.20 6.16 0.00 -1.85 0.36 119.26 126.77 1wfd h ALA 14 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wfd h ALA 14 Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wfd h ALA 14 CO -0.18 -1.22 -0.09 0.00 0.00 0.00 0.00 179.25 177.76 1wfd h ALA 15 N 1.51 -0.26 -1.06 0.00 0.00 -1.07 0.18 119.26 118.56 1wfd h ALA 15 Ca 0.68 -0.22 0.32 0.00 0.00 0.00 0.00 54.91 55.70 1wfd h ALA 15 Cb 2.20 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 19.96 1wfd h ALA 15 CO -0.23 -0.36 0.64 0.28 0.00 0.00 0.00 179.25 179.57 1wfd h VAL 16 N -0.84 0.34 0.23 0.00 2.07 0.20 1.71 116.25 119.95 1wfd h VAL 16 Ca -0.03 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1wfd h VAL 16 Cb 0.52 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1wfd h VAL 16 CO 0.04 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 1wfd h ALA 17 N 1.76 -0.30 -1.06 1.67 0.00 -0.98 -0.28 119.26 120.06 1wfd h ALA 17 Ca 0.71 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.85 1wfd h ALA 17 Cb 1.74 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1wfd h ALA 17 CO -0.51 -0.29 0.76 -0.24 0.00 0.00 0.00 179.25 178.97 1wfd h VAL 18 N -1.07 0.47 0.07 0.00 3.04 0.98 0.77 116.25 120.51 1wfd h VAL 18 Ca -0.03 -0.01 -0.22 0.00 -1.01 0.00 0.00 66.70 65.43 1wfd h VAL 18 Cb 0.27 0.44 0.02 0.00 -2.01 0.00 0.00 31.29 30.00 1wfd h VAL 18 CO 0.05 0.01 -0.88 -0.07 -1.01 0.00 0.00 177.57 175.67 1wfd h LEU 19 N 0.04 0.66 -0.53 3.16 3.38 0.25 -1.60 115.31 120.67 1wfd h LEU 19 Ca 0.51 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1wfd h LEU 19 Cb 1.98 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1wfd h LEU 19 CO -0.03 1.41 0.34 0.50 0.09 0.00 0.00 178.44 180.75 1wfd h LYS 20 N -0.00 0.67 0.11 1.13 1.63 0.22 -1.82 116.57 118.51 1wfd h LYS 20 Ca -0.13 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1wfd h LYS 20 Cb 1.60 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 1wfd h LYS 20 CO 0.17 0.44 -0.05 0.00 -3.45 0.00 0.00 179.45 176.56 1wfd h ARG 21 N 0.69 -0.14 -0.70 1.90 2.47 -0.45 -2.98 114.38 115.16 1wfd h ARG 21 Ca 0.20 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.03 1wfd h ARG 21 Cb -0.05 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.19 1wfd h ARG 21 CO -0.06 0.11 -0.46 0.00 0.56 0.00 0.00 179.97 180.11 1wfd h ALA 22 N 0.48 -0.33 -0.77 0.04 0.00 -1.01 0.43 119.26 118.10 1wfd h ALA 22 Ca -0.01 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 22 Cb 0.31 1.05 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1wfd h ALA 22 CO 0.02 -0.84 -0.25 0.28 0.00 0.00 0.00 179.25 178.47 1wfd h VAL 23 N -0.17 0.17 0.26 0.00 2.07 -1.28 0.56 116.25 117.86 1wfd h VAL 23 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 1wfd h VAL 23 Cb 0.55 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1wfd h VAL 23 CO -0.77 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.04 1wfd h GLU 24 N -0.04 -0.73 -0.86 1.57 5.08 -0.07 0.13 114.58 119.66 1wfd h GLU 24 Ca 0.35 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.95 1wfd h GLU 24 Cb 0.58 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 1wfd h GLU 24 CO -0.81 -0.49 0.37 -0.07 -1.00 0.00 0.00 179.01 177.02 1wfd h LEU 25 N -0.76 0.33 -1.58 1.33 3.38 0.57 1.23 115.31 119.81 1wfd h LEU 25 Ca -0.03 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1wfd h LEU 25 Cb 0.71 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1wfd h LEU 25 CO -0.16 0.05 0.33 -0.78 0.09 0.00 0.00 178.44 177.96 1wfd h ASP 26 N 0.43 0.47 1.41 -0.43 3.58 0.11 0.45 116.42 122.44 1wfd h ASP 26 Ca 0.52 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.85 1wfd h ASP 26 Cb 0.91 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1wfd h ASP 26 CO -0.49 0.32 -0.60 0.00 -2.88 0.00 0.00 179.24 175.60 1wfd h ALA 27 N 1.72 0.66 -0.01 -0.78 0.00 0.39 -3.04 119.26 118.20 1wfd h ALA 27 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wfd h ALA 27 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wfd h ALA 27 CO -0.05 0.66 -0.00 0.39 0.00 0.00 0.00 179.25 180.25 1wfd n GLU 28 N -3.20 1.25 -0.97 0.00 -0.58 0.21 -4.86 120.64 112.49 1wfd n GLU 28 Ca 0.01 -0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 1wfd n GLU 28 Cb 0.75 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.53 -0.89 -3.55 1.62 3.41 -0.03 -4.91 113.62 108.73 1wfd n SER 29 Ca 0.22 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.42 1wfd n SER 29 Cb 0.21 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.20 4.05 -0.03 4.33 1.74 0.13 -4.67 116.66 120.01 1wfd n ARG 30 Ca 0.00 -3.14 0.03 0.00 -0.77 0.00 0.00 57.85 53.97 1wfd n ARG 30 Cb 0.01 -2.79 0.38 0.00 -1.02 0.00 0.00 32.46 29.04 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 5.06 0.59 0.00 -1.55 0.05 -1.88 0.27 116.97 119.50 1wfd h TYR 31 Ca 0.66 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.44 1wfd h TYR 31 Cb 0.40 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1wfd h TYR 31 CO 1.57 0.40 0.05 0.37 -1.05 0.00 0.00 178.16 179.50 1wfd h GLN 32 N 0.62 0.00 0.00 4.88 -0.00 -1.94 0.53 115.11 119.20 1wfd h GLN 32 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.54 1wfd h GLN 32 Cb -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.42 1wfd h GLN 32 CO -0.03 0.00 -2.03 1.04 0.00 0.00 0.00 178.83 177.81 1wfd n GLN 33 N -3.03 0.85 0.28 1.69 6.02 -0.07 -4.29 117.38 118.83 1wfd n GLN 33 Ca -0.03 0.07 0.18 0.00 -0.01 0.00 0.00 57.00 57.21 1wfd n GLN 33 Cb 0.12 -1.37 0.74 0.00 1.02 0.00 0.00 30.24 30.74 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 0.23 1.00 0.28 -1.58 0.00 0.12 -2.22 119.26 117.09 1wfd h ALA 34 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1wfd h ALA 34 Cb 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1wfd h ALA 34 CO -0.04 0.00 -0.14 1.25 0.00 0.00 0.00 179.25 180.33 1wfd h LEU 35 N 0.00 -0.32 -0.51 0.00 7.12 -0.16 -0.41 115.31 121.02 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 0.45 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.58 1wfd h LEU 35 CO 0.00 -0.09 -0.06 -0.37 -0.13 0.00 0.00 178.44 177.79 1wfd h VAL 36 N -0.66 0.54 0.12 1.05 -1.51 -1.73 0.23 116.25 114.28 1wfd h VAL 36 Ca -0.04 -0.02 0.02 0.00 -1.23 0.00 0.00 66.70 65.43 1wfd h VAL 36 Cb 0.29 0.48 -0.05 0.00 -2.13 0.00 0.00 31.29 29.88 1wfd h VAL 36 CO 0.06 0.01 -0.47 0.00 -1.23 0.00 0.00 177.57 175.94 1wfd h TYR 38 N -0.71 0.97 -0.32 0.00 0.05 0.20 0.16 116.97 117.32 1wfd h TYR 38 Ca 0.01 0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.68 1wfd h TYR 38 Cb 0.72 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 1wfd h TYR 38 CO -0.41 0.14 -0.36 1.96 -1.05 0.00 0.00 178.16 178.44 1wfd h GLN 39 N 0.64 0.81 -0.66 4.88 1.08 0.12 -1.23 115.11 120.75 1wfd h GLN 39 Ca 0.59 -0.44 0.09 0.00 -1.45 0.00 0.00 58.65 57.43 1wfd h GLN 39 Cb 1.00 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.39 1wfd h GLN 39 CO -0.43 1.08 0.31 0.93 -0.95 0.00 0.00 178.83 179.77 1wfd h GLU 40 N 0.59 0.52 -0.18 1.46 4.39 0.42 0.24 114.58 122.02 1wfd h GLU 40 Ca 0.05 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1wfd h GLU 40 Cb 0.94 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1wfd h GLU 40 CO 0.09 0.35 -0.21 0.78 -1.16 0.00 0.00 179.01 178.85 1wfd h GLY 41 N 0.54 0.50 0.51 -3.84 0.00 -1.09 -2.25 103.07 97.45 1wfd h GLY 41 Ca 0.33 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1wfd h GLY 41 CO -0.27 0.48 -0.47 -2.22 0.00 0.00 0.00 176.54 174.06 1wfd h ILE 42 N 0.11 0.07 -0.98 2.60 2.04 -0.57 1.09 117.51 121.87 1wfd h ILE 42 Ca 0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.10 1wfd h ILE 42 Cb 0.77 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1wfd h ILE 42 CO 0.05 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 178.04 1wfd h ASP 43 N -0.93 0.58 -0.12 1.72 3.58 -0.61 0.91 116.42 121.54 1wfd h ASP 43 Ca -0.05 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1wfd h ASP 43 Cb 0.82 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 1wfd h ASP 43 CO -0.08 0.19 -0.11 0.24 -2.88 0.00 0.00 179.24 176.60 1wfd h MET 44 N 0.55 0.28 -0.08 0.28 2.86 -0.53 -3.09 114.93 115.21 1wfd h MET 44 Ca 0.55 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1wfd h MET 44 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1wfd h MET 44 CO -0.29 0.68 0.03 -0.07 1.06 0.00 0.00 176.91 178.32 1wfd h LEU 45 N -0.10 0.11 -0.96 1.22 3.38 0.34 -2.31 115.31 117.00 1wfd h LEU 45 Ca 0.02 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.96 1wfd h LEU 45 Cb 0.62 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 1wfd h LEU 45 CO 0.03 0.24 -0.44 0.18 0.09 0.00 0.00 178.44 178.54 1wfd n LEU 46 N -4.94 -0.75 -0.37 1.67 4.77 0.29 0.19 117.00 117.86 1wfd n LEU 46 Ca -0.06 1.68 -0.01 0.00 -0.03 0.00 0.00 56.01 57.59 1wfd n LEU 46 Cb 0.11 -0.33 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 1wfd n LEU 46 CO 0.34 -1.46 1.29 1.56 -1.33 0.00 0.00 177.39 177.78 1wfd h GLN 47 N 0.00 1.26 -0.11 3.23 4.20 -1.43 -1.05 115.11 121.22 1wfd h GLN 47 Ca 0.27 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1wfd h GLN 47 Cb 0.51 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1wfd h GLN 47 CO -0.93 0.84 0.07 0.28 -0.67 0.00 0.00 178.83 178.41 1wfd h VAL 48 N 1.30 1.05 -0.51 -0.54 2.07 0.27 -2.43 116.25 117.47 1wfd h VAL 48 Ca 0.39 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.85 1wfd h VAL 48 Cb -0.06 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1wfd h VAL 48 CO -0.11 0.05 0.16 0.25 0.02 0.00 0.00 177.57 177.94 1wfd h LEU 49 N 0.12 0.13 -1.96 2.57 6.46 0.15 0.34 115.31 123.12 1wfd h LEU 49 Ca 0.04 0.07 0.24 0.00 -0.12 0.00 0.00 57.88 58.11 1wfd h LEU 49 Cb 0.02 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1wfd h LEU 49 CO -0.01 0.10 0.64 0.11 -0.62 0.00 0.00 178.44 178.66 1wfd h LYS 50 N 0.32 0.00 -0.98 1.25 1.79 -0.74 0.51 116.57 118.73 1wfd h LYS 50 Ca 0.25 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 58.08 1wfd h LYS 50 Cb 0.30 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.60 1wfd h LYS 50 CO -0.28 0.00 0.25 0.41 -1.08 0.00 0.00 179.45 178.75 1wfd n GLY 51 N -1.67 6.05 2.90 3.86 0.00 0.12 -4.92 105.19 111.53 1wfd n GLY 51 Ca 0.17 -2.46 -0.27 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.78 1.05 0.00 2.61 2.01 0.18 -4.95 115.64 111.76 1wfd s THR 52 Ca 0.59 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1wfd s THR 52 Cb 0.47 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1wfd s THR 52 CO -0.02 0.30 0.59 0.29 -0.69 0.00 0.00 174.62 175.10 1wfd n LYS 53 N 4.92 0.78 0.00 4.92 5.02 -1.26 -4.68 118.16 127.86 1wfd n LYS 53 Ca -0.12 -0.77 0.06 0.00 -2.02 0.00 0.00 58.31 55.46 1wfd n LYS 53 Cb 0.49 -0.81 0.25 0.00 -0.02 0.00 0.00 35.03 34.94 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 -0.18 0.02 0.00 1.97 -0.58 -1.26 -4.85 120.64 115.76 1wfd n GLU 54 Ca 0.00 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1wfd n GLU 54 Cb 0.23 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1wfd n GLU 54 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wfd n SER 55 N -1.48 0.00 -0.09 1.62 2.88 -1.26 -4.24 113.62 111.04 1wfd n SER 55 Ca 0.03 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.47 1wfd n SER 55 Cb 0.13 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 1wfd n SER 55 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wfd h SER 56 N 0.00 0.40 -0.49 -3.46 4.64 -1.99 -1.71 113.55 110.94 1wfd h SER 56 Ca 0.00 -0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1wfd h SER 56 Cb 0.00 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 1wfd h SER 56 CO 0.00 0.44 0.27 0.11 -0.87 0.00 0.00 176.83 176.77 1wfd h LYS 57 N 0.35 0.51 -0.50 4.77 1.57 -1.96 -0.98 116.57 120.32 1wfd h LYS 57 Ca 0.10 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1wfd h LYS 57 Cb 0.15 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1wfd h LYS 57 CO -0.01 0.34 0.14 0.00 -0.57 0.00 0.00 179.45 179.35 1wfd h ARG 58 N 0.52 0.29 0.52 3.15 3.08 -1.79 0.83 114.38 120.99 1wfd h ARG 58 Ca 0.21 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1wfd h ARG 58 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1wfd h ARG 58 CO -0.13 0.19 -0.42 0.00 -1.07 0.00 0.00 179.97 178.55 1wfd h VAL 60 N -0.92 0.64 0.26 0.00 2.07 -0.61 0.40 116.25 118.08 1wfd h VAL 60 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1wfd h VAL 60 Cb 0.79 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1wfd h VAL 60 CO -0.01 0.01 -0.24 -0.07 0.02 0.00 0.00 177.57 177.28 1wfd h LEU 61 N 0.05 -0.66 -1.96 2.57 3.38 0.12 0.84 115.31 119.65 1wfd h LEU 61 Ca 0.20 0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.57 1wfd h LEU 61 Cb 0.30 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1wfd h LEU 61 CO -0.38 -0.33 0.87 0.03 0.09 0.00 0.00 178.44 178.72 1wfd h ARG 62 N -0.50 0.02 0.02 1.13 3.08 0.12 1.69 114.38 119.94 1wfd h ARG 62 Ca -0.03 -0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.81 1wfd h ARG 62 Cb 0.43 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1wfd h ARG 62 CO -0.02 0.01 -0.99 1.15 -1.07 0.00 0.00 179.97 179.06 1wfd h THR 63 N 0.02 1.64 0.01 2.04 2.02 0.11 -2.93 112.91 115.82 1wfd h THR 63 Ca 0.58 -3.17 -0.00 0.00 0.77 0.00 0.00 66.41 64.59 1wfd h THR 63 Cb 2.29 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 71.46 1wfd h THR 63 CO -0.02 0.91 -0.01 0.11 0.37 0.00 0.00 175.52 176.88 1wfd h LYS 64 N 0.02 -0.02 -0.35 6.66 1.57 0.92 -2.12 116.57 123.25 1wfd h LYS 64 Ca -0.03 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1wfd h LYS 64 Cb 1.71 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.97 1wfd h LYS 64 CO 0.14 0.18 -0.33 0.82 -0.57 0.00 0.00 179.45 179.69 1wfd h ILE 65 N -1.00 0.00 -0.12 1.86 2.04 0.31 0.44 117.51 121.04 1wfd h ILE 65 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1wfd h ILE 65 Cb 0.20 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 1wfd h ILE 65 CO 0.00 0.00 -0.25 0.28 0.00 0.00 0.00 178.15 178.18 1wfd h SER 66 N -0.15 -0.77 -0.28 1.72 0.02 -1.68 0.80 113.55 113.20 1wfd h SER 66 Ca 0.06 0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 1wfd h SER 66 Cb 0.31 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1wfd h SER 66 CO -0.41 -0.30 0.55 1.23 -1.14 0.00 0.00 176.83 176.76 1wfd h GLY 67 N -0.33 0.00 0.00 -3.77 0.00 -0.46 1.11 103.07 99.62 1wfd h GLY 67 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wfd h GLY 67 CO -0.30 0.00 -1.79 -1.72 0.00 0.00 0.00 176.54 172.73 1wfd n TYR 68 N -3.21 0.00 0.10 5.60 4.01 0.14 -4.25 117.16 119.55 1wfd n TYR 68 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.56 1wfd n TYR 68 Cb 0.67 -0.40 -0.14 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.50 -0.03 -0.72 2.86 0.75 -2.67 114.93 115.63 1wfd h MET 69 Ca 0.00 -0.76 0.03 0.00 -2.06 0.00 0.00 59.70 56.90 1wfd h MET 69 Cb 0.87 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 1wfd h MET 69 CO 0.00 1.35 -0.15 0.22 1.06 0.00 0.00 176.91 179.39 1wfd h ASP 70 N 0.04 -0.43 -0.11 1.22 3.58 -1.00 0.41 116.42 120.12 1wfd h ASP 70 Ca -0.19 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.34 1wfd h ASP 70 Cb 1.90 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 43.12 1wfd h ASP 70 CO 0.22 -0.20 0.01 -0.09 -2.88 0.00 0.00 179.24 176.30 1wfd h ARG 71 N -0.23 0.05 0.03 0.28 9.65 -1.74 -0.24 114.38 122.18 1wfd h ARG 71 Ca 0.06 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1wfd h ARG 71 Cb 0.31 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 1wfd h ARG 71 CO -0.16 0.03 -0.31 0.00 2.80 0.00 0.00 179.97 182.33 1wfd h ALA 72 N 1.09 -0.46 0.02 2.80 0.00 -1.07 0.25 119.26 121.88 1wfd h ALA 72 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wfd h ALA 72 Cb 0.05 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wfd h ALA 72 CO -0.08 -0.83 -0.10 0.93 0.00 0.00 0.00 179.25 179.17 1wfd h GLU 73 N -0.48 -0.13 -0.96 0.00 5.08 0.09 0.64 114.58 118.82 1wfd h GLU 73 Ca 0.05 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.70 1wfd h GLU 73 Cb 0.55 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.65 1wfd h GLU 73 CO -0.24 -0.09 0.07 0.09 -1.00 0.00 0.00 179.01 177.84 1wfd n ASN 74 N -3.03 -0.07 0.48 1.42 3.02 -0.13 0.13 115.26 117.09 1wfd n ASN 74 Ca -0.02 1.63 -0.19 0.00 -0.03 0.00 0.00 54.58 55.97 1wfd n ASN 74 Cb 0.08 -0.61 -0.09 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.49 2.41 2.04 0.18 -0.13 117.51 121.52 1wfd h ILE 75 Ca 0.60 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 66.51 1wfd h ILE 75 Cb 1.29 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 1wfd h ILE 75 CO -0.89 0.00 -0.18 0.11 0.00 0.00 0.00 178.15 177.20 1wfd h LYS 76 N -1.27 -0.06 -0.26 2.37 1.57 0.48 1.99 116.57 121.39 1wfd h LYS 76 Ca -0.12 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 1wfd h LYS 76 Cb 0.94 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1wfd h LYS 76 CO 0.21 -0.04 0.28 0.87 -0.57 0.00 0.00 179.45 180.19 1wfd h LYS 77 N -0.07 0.00 0.00 3.15 6.56 0.13 1.01 116.57 127.35 1wfd h LYS 77 Ca 0.23 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.71 1wfd h LYS 77 Cb 0.42 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 1wfd h LYS 77 CO -0.53 0.00 -1.54 0.98 -2.06 0.00 0.00 179.45 176.29 1wfd n TYR 78 N -3.82 0.66 0.10 -1.35 9.36 0.40 -3.59 117.16 118.91 1wfd n TYR 78 Ca 0.04 0.21 -0.17 0.00 3.32 0.00 0.00 57.90 61.29 1wfd n TYR 78 Cb 0.42 -0.92 -0.14 0.00 -0.63 0.00 0.00 39.34 38.07 1wfd n TYR 78 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1wfd h LEU 79 N 0.00 0.47 -0.72 2.98 3.38 0.65 -0.38 115.31 121.69 1wfd h LEU 79 Ca -0.13 -0.55 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 1wfd h LEU 79 Cb 1.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1wfd h LEU 79 CO 0.02 1.44 0.18 -0.78 0.09 0.00 0.00 178.44 179.39 1wfd h ASP 80 N 0.08 1.09 0.06 -0.43 3.58 0.67 -0.47 116.42 121.00 1wfd h ASP 80 Ca -0.19 -0.23 -0.21 0.00 0.42 0.00 0.00 57.03 56.82 1wfd h ASP 80 Cb 2.02 -0.29 0.02 0.00 1.72 0.00 0.00 39.33 42.80 1wfd h ASP 80 CO 0.20 1.04 -0.86 0.06 -2.88 0.00 0.00 179.24 176.80 1wfd h GLN 81 N 1.09 0.48 -0.52 0.28 3.07 -1.62 -3.16 115.11 114.73 1wfd h GLN 81 Ca 0.23 -0.59 0.08 0.00 0.09 0.00 0.00 58.65 58.45 1wfd h GLN 81 Cb 0.37 0.19 -0.03 0.00 0.08 0.00 0.00 27.48 28.09 1wfd h GLN 81 CO 0.00 1.23 0.35 0.93 0.09 0.00 0.00 178.83 181.43 1wfd h GLU 82 N -0.00 0.38 0.20 0.06 4.39 -0.92 0.28 114.58 118.97 1wfd h GLU 82 Ca -0.12 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1wfd h GLU 82 Cb 1.58 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 1wfd h GLU 82 CO 0.17 0.25 -0.10 0.87 -1.16 0.00 0.00 179.01 179.04 1wfd h LYS 83 N 0.39 -0.26 -0.64 2.33 1.57 -1.09 0.21 116.57 119.07 1wfd h LYS 83 Ca 0.23 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1wfd h LYS 83 Cb 0.41 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1wfd h LYS 83 CO -0.06 -0.05 0.21 0.93 -0.57 0.00 0.00 179.45 179.91 1wfd h GLU 84 N -0.44 0.97 0.00 3.15 5.08 -1.29 0.20 114.58 122.25 1wfd h GLU 84 Ca -0.03 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1wfd h GLU 84 Cb 0.34 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1wfd h GLU 84 CO 0.05 0.83 0.00 -3.47 -1.00 0.00 0.00 179.01 175.41 1wfd n ASP 85 N -4.28 0.00 -0.32 1.42 -0.08 0.89 -3.60 116.55 110.58 1wfd n ASP 85 Ca 0.05 -0.20 0.35 0.00 -1.51 0.00 0.00 54.79 53.47 1wfd n ASP 85 Cb 0.21 -0.21 0.60 0.00 2.34 0.00 0.00 41.12 44.06 1wfd n ASP 85 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1wfd h GLY 86 N 3.49 0.00 -0.78 0.27 0.00 0.12 0.22 103.07 106.38 1wfd h GLY 86 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.56 1wfd h GLY 86 CO 0.00 0.00 -0.03 0.07 0.00 0.00 0.00 176.54 176.58 1wfd h LYS 87 N 0.00 0.04 -2.39 4.80 2.10 -1.79 -2.40 116.57 116.93 1wfd h LYS 87 Ca 0.58 -0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.63 1wfd h LYS 87 Cb 2.90 -0.01 -0.41 0.00 -0.90 0.00 0.00 32.23 33.81 1wfd h LYS 87 CO -0.01 0.02 -0.69 0.43 -2.00 0.00 0.00 179.45 177.20 1wfd n SER 88 N -5.47 2.73 -1.13 7.07 7.64 0.77 -5.06 113.62 120.17 1wfd n SER 88 Ca 0.19 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1wfd n SER 88 Cb 0.62 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfd n GLY 89 N 1.35 4.09 0.07 0.23 0.00 -0.90 -5.06 105.19 104.96 1wfd n GLY 89 Ca 0.26 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.01 -3.77 1.61 0.13 -1.96 -3.50 132.00 124.50 1wfd h PRO 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wfd h PRO 90 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wfd h PRO 90 CO 0.00 0.72 -0.80 0.45 -0.23 0.00 0.00 178.00 178.15 1wfd n SER 91 N -4.74 -7.82 -1.88 1.44 2.88 -1.26 -4.96 113.62 97.29 1wfd n SER 91 Ca -0.09 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.58 1wfd n SER 91 Cb 0.36 -4.37 -0.01 0.00 -0.75 0.00 0.00 64.21 59.43 1wfd n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfd n SER 92 N 1.53 -2.21 0.00 -3.46 7.64 -1.26 -5.29 113.62 110.58 1wfd n SER 92 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wfd n SER 92 Cb 0.00 -2.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64