#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 1.17 0.30 1.61 0.01 -1.26 -5.08 113.70 110.45 1wfd s SER 2 Ca 0.00 -1.40 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1wfd s SER 2 Cb 0.00 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1wfd s SER 2 CO 0.00 -0.75 0.00 -0.24 0.41 0.00 0.00 173.24 172.66 1wfd n SER 3 N -0.49 -7.10 0.00 2.44 2.88 -1.26 -5.06 113.62 105.04 1wfd n SER 3 Ca 0.00 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wfd n SER 3 Cb 0.66 -3.26 0.00 0.00 -0.75 0.00 0.00 64.21 60.86 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 -0.06 0.16 3.02 0.46 0.00 -1.26 -5.14 105.19 102.37 1wfd n GLY 4 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.66 -0.09 1.61 0.15 -1.26 -5.17 113.70 108.28 1wfd s SER 5 Ca 0.00 -0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 1wfd s SER 5 Cb 0.00 1.13 0.11 0.00 -1.71 0.00 0.00 66.02 65.55 1wfd s SER 5 CO 0.00 -0.10 0.91 -0.55 1.20 0.00 0.00 173.24 174.70 1wfd s SER 6 N 2.43 -0.41 0.00 5.45 0.15 -1.26 -5.17 113.70 114.88 1wfd s SER 6 Ca 0.19 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1wfd s SER 6 Cb -0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1wfd s SER 6 CO -0.18 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1wfd n GLY 7 N 0.42 4.66 3.58 9.45 0.00 -1.26 -5.07 105.19 116.98 1wfd n GLY 7 Ca -0.11 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.62 3.70 -0.04 1.61 -0.21 -1.26 -5.02 119.66 113.82 1wfd s GLN 8 Ca 0.00 0.36 0.03 0.00 0.02 0.00 0.00 55.36 55.77 1wfd s GLN 8 Cb 0.00 -3.86 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1wfd s GLN 8 CO 0.00 -1.06 -0.11 0.34 -2.12 0.00 0.00 175.29 172.34 1wfd s ASP 9 N 2.05 1.49 0.78 5.90 -1.08 -1.26 -5.15 116.67 119.40 1wfd s ASP 9 Ca 0.37 -0.24 -0.05 0.00 -0.52 0.00 0.00 52.55 52.12 1wfd s ASP 9 Cb -0.11 -0.45 0.11 0.00 -1.46 0.00 0.00 42.92 41.01 1wfd s ASP 9 CO 0.22 0.08 0.71 -0.24 0.52 0.00 0.00 175.17 176.46 1wfd n SER 10 N 3.34 0.49 0.02 -0.34 2.88 -1.26 -5.00 113.62 113.75 1wfd n SER 10 Ca -0.19 -1.52 -0.01 0.00 -1.33 0.00 0.00 58.87 55.82 1wfd n SER 10 Cb 0.53 -0.50 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1wfd n SER 10 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1wfd h ASP 11 N -0.69 -0.04 -0.15 -3.46 3.32 -2.01 -3.25 116.42 110.13 1wfd h ASP 11 Ca -0.23 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.86 1wfd h ASP 11 Cb 0.75 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1wfd h ASP 11 CO 0.21 0.01 0.25 0.28 -1.72 0.00 0.00 179.24 178.27 1wfd h SER 12 N -0.14 0.00 0.06 6.45 0.02 -1.97 -1.94 113.55 116.03 1wfd h SER 12 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1wfd h SER 12 Cb 0.04 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1wfd h SER 12 CO 0.01 0.00 -0.36 0.74 -1.14 0.00 0.00 176.83 176.08 1wfd h THR 13 N 0.00 0.25 -0.99 -2.27 2.02 -1.95 -0.01 112.91 109.96 1wfd h THR 13 Ca 0.07 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.58 1wfd h THR 13 Cb 0.57 0.25 -0.16 0.00 -1.74 0.00 0.00 68.15 67.06 1wfd h THR 13 CO -0.00 0.00 0.50 0.00 0.37 0.00 0.00 175.52 176.39 1wfd h ALA 14 N 0.07 1.89 -0.09 6.16 0.00 -1.38 1.02 119.26 126.93 1wfd h ALA 14 Ca 0.04 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wfd h ALA 14 Cb 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wfd h ALA 14 CO -0.25 -0.65 0.04 0.00 0.00 0.00 0.00 179.25 178.39 1wfd h ALA 15 N 1.88 0.12 -1.00 0.00 0.00 -1.15 0.67 119.26 119.78 1wfd h ALA 15 Ca 0.73 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.71 1wfd h ALA 15 Cb 1.72 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 1wfd h ALA 15 CO -0.66 -0.30 0.62 0.28 0.00 0.00 0.00 179.25 179.19 1wfd h VAL 16 N -0.00 0.83 0.37 0.00 2.07 0.21 1.50 116.25 121.23 1wfd h VAL 16 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1wfd h VAL 16 Cb 0.16 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1wfd h VAL 16 CO -0.00 0.16 -0.18 0.00 0.02 0.00 0.00 177.57 177.57 1wfd h ALA 17 N 1.59 -0.51 -0.99 1.67 0.00 -0.39 0.11 119.26 120.73 1wfd h ALA 17 Ca 0.53 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.57 1wfd h ALA 17 Cb 0.68 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 1wfd h ALA 17 CO -0.30 -0.48 0.65 -0.24 0.00 0.00 0.00 179.25 178.88 1wfd h VAL 18 N -1.10 0.59 -0.28 0.00 3.04 0.78 0.64 116.25 119.91 1wfd h VAL 18 Ca -0.05 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.36 1wfd h VAL 18 Cb 0.38 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1wfd h VAL 18 CO 0.08 0.07 -0.38 -0.07 -1.01 0.00 0.00 177.57 176.26 1wfd h LEU 19 N 0.40 0.82 0.15 3.16 3.38 0.21 -0.70 115.31 122.74 1wfd h LEU 19 Ca 0.54 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wfd h LEU 19 Cb 1.38 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1wfd h LEU 19 CO -0.24 1.16 -0.07 0.50 0.09 0.00 0.00 178.44 179.88 1wfd h LYS 20 N 0.50 -0.20 -0.09 1.13 1.63 0.22 -2.27 116.57 117.49 1wfd h LYS 20 Ca 0.03 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1wfd h LYS 20 Cb 0.97 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.62 1wfd h LYS 20 CO 0.09 -0.08 -0.08 0.00 -3.45 0.00 0.00 179.45 175.93 1wfd h ARG 21 N -0.27 -0.10 -0.62 1.90 2.47 -0.36 -2.73 114.38 114.68 1wfd h ARG 21 Ca -0.02 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1wfd h ARG 21 Cb 0.21 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.46 1wfd h ARG 21 CO 0.03 -0.07 -0.55 0.00 0.56 0.00 0.00 179.97 179.95 1wfd h ALA 22 N 0.96 -0.67 -0.95 0.04 0.00 -0.95 0.16 119.26 117.84 1wfd h ALA 22 Ca 0.06 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1wfd h ALA 22 Cb 0.19 1.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 1wfd h ALA 22 CO -0.15 -0.99 -0.45 0.28 0.00 0.00 0.00 179.25 177.94 1wfd h VAL 23 N -0.23 0.01 -0.27 0.00 2.07 -1.11 0.59 116.25 117.31 1wfd h VAL 23 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1wfd h VAL 23 Cb 0.50 0.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1wfd h VAL 23 CO -0.71 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 176.12 1wfd h GLU 24 N -0.03 -0.40 -0.81 1.57 5.08 -0.52 0.20 114.58 119.67 1wfd h GLU 24 Ca 0.27 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.79 1wfd h GLU 24 Cb 0.54 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.79 1wfd h GLU 24 CO -0.94 -0.27 0.41 -0.07 -1.00 0.00 0.00 179.01 177.14 1wfd h LEU 25 N -0.41 0.49 -1.77 1.33 3.38 0.11 0.84 115.31 119.29 1wfd h LEU 25 Ca 0.10 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1wfd h LEU 25 Cb 0.61 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1wfd h LEU 25 CO -0.49 0.22 0.22 -0.78 0.09 0.00 0.00 178.44 177.71 1wfd h ASP 26 N 0.61 0.26 1.27 -0.43 1.82 0.26 0.30 116.42 120.51 1wfd h ASP 26 Ca 0.43 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.98 1wfd h ASP 26 Cb 0.59 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1wfd h ASP 26 CO -0.35 0.18 -0.76 0.00 -1.61 0.00 0.00 179.24 176.70 1wfd h ALA 27 N 1.81 0.69 -0.01 -0.78 0.00 0.30 -3.16 119.26 118.11 1wfd h ALA 27 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wfd h ALA 27 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wfd h ALA 27 CO -0.03 0.54 -0.02 0.39 0.00 0.00 0.00 179.25 180.13 1wfd n GLU 28 N -3.04 1.18 -0.97 0.00 -0.58 0.23 -4.87 120.64 112.60 1wfd n GLU 28 Ca -0.01 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1wfd n GLU 28 Cb 0.71 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.55 -0.37 -3.36 1.62 3.41 0.11 -4.90 113.62 109.58 1wfd n SER 29 Ca 0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.42 1wfd n SER 29 Cb 0.24 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.08 4.01 -0.22 4.33 1.74 0.74 -4.66 116.66 120.51 1wfd n ARG 30 Ca 0.00 -2.62 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 1wfd n ARG 30 Cb 0.00 -2.74 0.12 0.00 -1.02 0.00 0.00 32.46 28.82 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 4.86 0.55 -0.02 -1.55 0.05 -1.89 0.60 116.97 119.57 1wfd h TYR 31 Ca 0.82 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.63 1wfd h TYR 31 Cb 0.29 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1wfd h TYR 31 CO 1.79 0.20 0.36 0.37 -1.05 0.00 0.00 178.16 179.83 1wfd h GLN 32 N 0.54 0.00 0.00 4.88 -0.00 -1.95 0.54 115.11 119.12 1wfd h GLN 32 Ca 0.32 0.00 -0.40 0.00 -0.00 0.00 0.00 58.65 58.57 1wfd h GLN 32 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.75 1wfd h GLN 32 CO -0.26 0.00 -2.35 1.04 0.00 0.00 0.00 178.83 177.27 1wfd n GLN 33 N -2.91 0.52 0.01 1.69 6.02 0.78 -4.01 117.38 119.48 1wfd n GLN 33 Ca -0.01 0.21 0.17 0.00 -0.01 0.00 0.00 57.00 57.35 1wfd n GLN 33 Cb 0.41 -1.38 0.64 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.70 2.33 0.47 -1.58 0.00 0.92 0.03 119.26 120.73 1wfd h ALA 34 Ca -0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1wfd h ALA 34 Cb 1.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wfd h ALA 34 CO -0.31 -0.46 -0.22 1.25 0.00 0.00 0.00 179.25 179.50 1wfd h LEU 35 N 0.10 -0.53 -0.22 0.00 7.12 -0.15 0.18 115.31 121.79 1wfd h LEU 35 Ca 0.23 -0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.22 1wfd h LEU 35 Cb 0.79 0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 40.98 1wfd h LEU 35 CO -0.02 -0.14 -0.32 0.58 -0.13 0.00 0.00 178.44 178.40 1wfd h VAL 36 N -1.00 0.26 0.08 1.05 2.07 -1.44 0.51 116.25 117.78 1wfd h VAL 36 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1wfd h VAL 36 Cb 0.58 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1wfd h VAL 36 CO 0.11 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.34 1wfd h TYR 38 N -0.56 0.26 -0.21 0.00 0.05 0.43 0.11 116.97 117.05 1wfd h TYR 38 Ca 0.04 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.88 1wfd h TYR 38 Cb 0.61 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 1wfd h TYR 38 CO -0.33 -0.14 0.11 1.96 -1.05 0.00 0.00 178.16 178.71 1wfd h GLN 39 N 0.24 0.23 -0.62 4.88 1.08 0.12 0.13 115.11 121.16 1wfd h GLN 39 Ca 0.45 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.73 1wfd h GLN 39 Cb 0.82 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 28.12 1wfd h GLN 39 CO -0.57 0.15 0.24 0.93 -0.95 0.00 0.00 178.83 178.64 1wfd h GLU 40 N 0.24 0.42 -0.20 1.46 5.08 0.13 0.64 114.58 122.35 1wfd h GLU 40 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1wfd h GLU 40 Cb 0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1wfd h GLU 40 CO -0.05 0.28 0.04 0.78 -1.00 0.00 0.00 179.01 179.06 1wfd h GLY 41 N 0.43 0.34 0.95 -3.84 0.00 -0.61 0.60 103.07 100.93 1wfd h GLY 41 Ca 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1wfd h GLY 41 CO -0.30 0.20 -0.09 -2.22 0.00 0.00 0.00 176.54 174.14 1wfd h ILE 42 N 0.13 0.82 -0.64 2.60 2.04 0.03 0.87 117.51 123.36 1wfd h ILE 42 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1wfd h ILE 42 Cb 0.28 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1wfd h ILE 42 CO 0.00 0.00 0.31 0.44 0.00 0.00 0.00 178.15 178.90 1wfd h ASP 43 N -0.21 0.40 -0.13 1.72 3.32 0.32 0.79 116.42 122.62 1wfd h ASP 43 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1wfd h ASP 43 Cb 0.18 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1wfd h ASP 43 CO 0.01 0.25 0.03 0.24 -1.72 0.00 0.00 179.24 178.04 1wfd h MET 44 N 0.55 0.22 0.07 3.56 2.86 -0.33 -2.87 114.93 118.99 1wfd h MET 44 Ca 0.31 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1wfd h MET 44 Cb 0.29 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1wfd h MET 44 CO -0.24 0.40 -0.05 -0.07 1.06 0.00 0.00 176.91 178.01 1wfd h LEU 45 N 0.00 -0.12 -1.00 1.22 3.38 0.15 -1.54 115.31 117.40 1wfd h LEU 45 Ca 0.04 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1wfd h LEU 45 Cb 0.28 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 1wfd h LEU 45 CO 0.00 -0.08 -0.50 0.18 0.09 0.00 0.00 178.44 178.13 1wfd n LEU 46 N -5.15 -0.88 -0.22 1.67 4.77 0.27 0.19 117.00 117.65 1wfd n LEU 46 Ca -0.07 1.76 0.04 0.00 -0.03 0.00 0.00 56.01 57.70 1wfd n LEU 46 Cb 0.08 -0.30 0.29 0.00 -2.33 0.00 0.00 43.42 41.16 1wfd n LEU 46 CO 0.33 -1.50 1.23 1.56 -1.33 0.00 0.00 177.39 177.68 1wfd h GLN 47 N 0.00 0.88 0.06 3.23 4.20 -1.27 -0.46 115.11 121.75 1wfd h GLN 47 Ca 0.24 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1wfd h GLN 47 Cb 0.49 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1wfd h GLN 47 CO -0.96 0.58 -0.03 0.28 -0.67 0.00 0.00 178.83 178.03 1wfd h VAL 48 N 0.90 1.08 -0.26 -0.54 2.07 0.32 -2.99 116.25 116.83 1wfd h VAL 48 Ca 0.31 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1wfd h VAL 48 Cb 0.10 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1wfd h VAL 48 CO -0.10 0.11 -0.12 0.25 0.02 0.00 0.00 177.57 177.74 1wfd h LEU 49 N -0.27 -0.41 -1.60 2.57 6.46 0.20 0.17 115.31 122.42 1wfd h LEU 49 Ca -0.01 0.10 0.48 0.00 -0.12 0.00 0.00 57.88 58.33 1wfd h LEU 49 Cb 0.24 0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 1wfd h LEU 49 CO 0.01 -0.15 1.02 0.11 -0.62 0.00 0.00 178.44 178.81 1wfd h LYS 50 N -0.09 0.04 -2.15 1.25 1.79 -0.97 -0.38 116.57 116.06 1wfd h LYS 50 Ca 0.14 -0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.02 1wfd h LYS 50 Cb 0.29 -0.01 -0.41 0.00 -1.58 0.00 0.00 32.23 30.52 1wfd h LYS 50 CO -0.31 0.03 -0.74 0.41 -1.08 0.00 0.00 179.45 177.75 1wfd n GLY 51 N -1.65 4.40 2.42 3.86 0.00 0.57 -4.94 105.19 109.85 1wfd n GLY 51 Ca 0.39 -2.46 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 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 0.84 1.77 -0.67 2.61 -1.04 -0.16 -4.89 114.28 112.74 1wfd n THR 52 Ca 0.28 -5.01 0.51 0.00 -2.04 0.00 0.00 64.05 57.80 1wfd n THR 52 Cb 0.45 -1.94 0.82 0.00 -1.82 0.00 0.00 70.33 67.83 1wfd n THR 52 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1wfd h LYS 53 N 3.98 0.00 -5.28 -2.82 3.64 -1.90 -3.30 116.57 110.88 1wfd h LYS 53 Ca 0.16 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1wfd h LYS 53 Cb 0.70 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1wfd h LYS 53 CO 0.75 0.00 0.20 -1.21 -2.27 0.00 0.00 179.45 176.92 1wfd s GLU 54 N -4.88 1.55 0.45 1.90 0.41 -1.26 -4.71 118.70 112.16 1wfd s GLU 54 Ca -0.05 -0.19 0.35 0.00 -0.41 0.00 0.00 54.97 54.68 1wfd s GLU 54 Cb 0.27 -4.95 1.51 0.00 -1.78 0.00 0.00 34.13 29.17 1wfd s GLU 54 CO 0.89 -4.85 1.52 -1.13 -0.49 0.00 0.00 175.26 171.20 1wfd n SER 55 N 18.41 0.16 0.16 -0.19 3.41 -1.24 0.14 113.62 134.46 1wfd n SER 55 Ca 0.43 1.27 -0.07 0.00 -0.26 0.00 0.00 58.87 60.25 1wfd n SER 55 Cb 0.46 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1wfd n SER 55 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wfd h SER 56 N 0.00 -0.39 -0.99 4.04 0.02 -1.88 -3.25 113.55 111.10 1wfd h SER 56 Ca 0.87 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.99 1wfd h SER 56 Cb 2.96 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 65.44 1wfd h SER 56 CO -0.36 -0.03 -0.38 0.29 -1.14 0.00 0.00 176.83 175.20 1wfd n LYS 57 N -4.57 -0.22 -0.33 3.45 5.02 0.12 0.16 118.16 121.78 1wfd n LYS 57 Ca -0.06 1.53 0.19 0.00 -2.02 0.00 0.00 58.31 57.96 1wfd n LYS 57 Cb 0.18 -2.27 0.37 0.00 -0.02 0.00 0.00 35.03 33.29 1wfd n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfd h ARG 58 N 0.00 0.02 0.64 1.97 3.08 -1.18 1.65 114.38 120.55 1wfd h ARG 58 Ca 0.35 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 1wfd h ARG 58 Cb 0.60 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.66 1wfd h ARG 58 CO -0.99 0.01 -0.31 0.00 -1.07 0.00 0.00 179.97 177.62 1wfd h VAL 60 N -0.85 0.23 -0.56 0.00 2.07 0.86 -1.61 116.25 116.38 1wfd h VAL 60 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1wfd h VAL 60 Cb 0.65 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1wfd h VAL 60 CO 0.14 0.00 -0.48 -0.07 0.02 0.00 0.00 177.57 177.19 1wfd h LEU 61 N -0.87 -1.66 -1.95 2.57 3.38 0.21 1.61 115.31 118.60 1wfd h LEU 61 Ca -0.06 0.23 0.36 0.00 0.09 0.00 0.00 57.88 58.51 1wfd h LEU 61 Cb 0.74 0.71 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1wfd h LEU 61 CO 0.02 -0.27 0.88 0.03 0.09 0.00 0.00 178.44 179.19 1wfd h ARG 62 N -0.18 0.02 0.01 1.13 3.08 -0.44 1.67 114.38 119.68 1wfd h ARG 62 Ca 0.09 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1wfd h ARG 62 Cb 0.42 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1wfd h ARG 62 CO -0.62 0.02 -1.16 1.15 -1.07 0.00 0.00 179.97 178.28 1wfd h THR 63 N 0.02 1.53 0.06 2.04 2.02 0.29 -3.03 112.91 115.85 1wfd h THR 63 Ca 0.60 -3.26 -0.00 0.00 0.77 0.00 0.00 66.41 64.52 1wfd h THR 63 Cb 2.33 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 71.52 1wfd h THR 63 CO -0.03 0.88 -0.03 0.11 0.37 0.00 0.00 175.52 176.83 1wfd h LYS 64 N 0.01 -0.08 -0.27 6.66 1.57 0.92 -1.95 116.57 123.44 1wfd h LYS 64 Ca -0.07 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1wfd h LYS 64 Cb 1.84 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 34.12 1wfd h LYS 64 CO 0.13 0.03 -0.28 0.82 -0.57 0.00 0.00 179.45 179.57 1wfd h ILE 65 N -1.02 0.00 -0.74 1.86 2.04 0.65 0.73 117.51 121.03 1wfd h ILE 65 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1wfd h ILE 65 Cb 0.14 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.13 1wfd h ILE 65 CO 0.01 0.00 0.32 0.77 0.00 0.00 0.00 178.15 179.26 1wfd h SER 66 N -0.16 0.35 -0.80 1.72 4.64 -1.70 0.30 113.55 117.91 1wfd h SER 66 Ca 0.05 0.09 0.10 0.00 -0.47 0.00 0.00 61.79 61.56 1wfd h SER 66 Cb 0.28 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1wfd h SER 66 CO -0.34 0.16 0.52 1.23 -0.87 0.00 0.00 176.83 177.54 1wfd h GLY 67 N 0.50 1.04 1.33 -0.77 0.00 0.02 0.28 103.07 105.47 1wfd h GLY 67 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wfd h GLY 67 CO -0.35 0.16 -0.37 -1.72 0.00 0.00 0.00 176.54 174.26 1wfd n TYR 68 N -4.51 0.12 -0.08 5.60 4.01 0.23 -3.65 117.16 118.88 1wfd n TYR 68 Ca 0.14 0.04 -0.18 0.00 -0.16 0.00 0.00 57.90 57.73 1wfd n TYR 68 Cb 0.35 -0.41 -0.12 0.00 -0.31 0.00 0.00 39.34 38.85 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 0.01 -0.16 -0.72 2.86 0.28 -2.83 114.93 114.37 1wfd h MET 69 Ca 0.00 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1wfd h MET 69 Cb 0.55 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1wfd h MET 69 CO 0.00 1.01 -0.18 0.22 1.06 0.00 0.00 176.91 179.02 1wfd h ASP 70 N -0.98 -0.56 -0.16 1.22 3.58 -1.01 1.20 116.42 119.71 1wfd h ASP 70 Ca -0.17 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.40 1wfd h ASP 70 Cb 1.16 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.46 1wfd h ASP 70 CO -0.10 -0.22 0.04 -0.09 -2.88 0.00 0.00 179.24 175.99 1wfd h ARG 71 N -0.21 0.11 0.47 0.28 9.65 -1.73 -0.44 114.38 122.52 1wfd h ARG 71 Ca 0.11 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1wfd h ARG 71 Cb 0.37 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1wfd h ARG 71 CO -0.28 0.08 -0.30 0.00 2.80 0.00 0.00 179.97 182.26 1wfd h ALA 72 N 1.11 -0.75 -0.08 2.80 0.00 -1.10 -1.82 119.26 119.41 1wfd h ALA 72 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wfd h ALA 72 Cb 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wfd h ALA 72 CO -0.08 -0.94 -0.12 0.93 0.00 0.00 0.00 179.25 179.04 1wfd h GLU 73 N -0.75 -0.09 -0.93 0.00 5.08 0.17 0.87 114.58 118.93 1wfd h GLU 73 Ca -0.05 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 1wfd h GLU 73 Cb 0.62 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.71 1wfd h GLU 73 CO 0.05 -0.06 -0.14 0.09 -1.00 0.00 0.00 179.01 177.95 1wfd n ASN 74 N -3.29 -0.25 0.42 1.42 3.02 -0.19 0.10 115.26 116.49 1wfd n ASN 74 Ca -0.01 1.59 -0.19 0.00 -0.03 0.00 0.00 54.58 55.95 1wfd n ASN 74 Cb 0.08 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 38.64 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 0.22 -0.63 2.41 2.04 -0.11 0.12 117.51 121.56 1wfd h ILE 75 Ca 0.49 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.44 1wfd h ILE 75 Cb 0.86 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 37.04 1wfd h ILE 75 CO -0.93 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 177.22 1wfd h LYS 76 N -1.08 0.03 -0.09 2.37 1.57 0.61 1.89 116.57 121.85 1wfd h LYS 76 Ca -0.11 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1wfd h LYS 76 Cb 0.81 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1wfd h LYS 76 CO 0.18 0.02 0.08 0.87 -0.57 0.00 0.00 179.45 180.02 1wfd h LYS 77 N 0.03 0.00 0.00 3.15 6.56 0.96 1.02 116.57 128.29 1wfd h LYS 77 Ca 0.31 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.87 1wfd h LYS 77 Cb 0.49 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 1wfd h LYS 77 CO -0.62 0.00 -0.92 -0.92 -2.06 0.00 0.00 179.45 174.92 1wfd h TYR 78 N 0.00 0.00 0.01 -1.35 3.20 0.41 -3.26 116.97 115.98 1wfd h TYR 78 Ca 0.04 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 1wfd h TYR 78 Cb 0.20 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1wfd h TYR 78 CO 0.00 0.11 -0.78 -0.07 -1.64 0.00 0.00 178.16 175.78 1wfd h LEU 79 N 0.00 0.04 -1.75 2.82 3.38 0.49 -2.53 115.31 117.76 1wfd h LEU 79 Ca -0.03 -0.73 0.20 0.00 0.09 0.00 0.00 57.88 57.41 1wfd h LEU 79 Cb 1.11 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1wfd h LEU 79 CO 0.01 1.31 0.56 0.44 0.09 0.00 0.00 178.44 180.85 1wfd h ASP 80 N -0.93 0.21 0.30 -0.43 5.19 0.78 1.58 116.42 123.13 1wfd h ASP 80 Ca -0.21 0.02 -0.32 0.00 -0.62 0.00 0.00 57.03 55.90 1wfd h ASP 80 Cb 1.23 -0.02 0.03 0.00 0.18 0.00 0.00 39.33 40.75 1wfd h ASP 80 CO -0.10 0.09 -1.41 0.06 -3.12 0.00 0.00 179.24 174.76 1wfd h GLN 81 N 0.22 0.52 -0.35 3.56 3.07 -1.66 -1.32 115.11 119.14 1wfd h GLN 81 Ca 0.41 -0.85 -0.17 0.00 0.09 0.00 0.00 58.65 58.13 1wfd h GLN 81 Cb 1.26 0.31 -0.00 0.00 0.08 0.00 0.00 27.48 29.12 1wfd h GLN 81 CO -0.09 1.40 -0.45 0.93 0.09 0.00 0.00 178.83 180.71 1wfd h GLU 82 N 0.16 0.91 -0.23 0.06 4.39 -0.16 -2.81 114.58 116.90 1wfd h GLU 82 Ca -0.23 -0.52 -0.17 0.00 0.34 0.00 0.00 59.36 58.78 1wfd h GLU 82 Cb 2.10 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.79 1wfd h GLU 82 CO 0.26 1.17 -0.54 1.57 -1.16 0.00 0.00 179.01 180.31 1wfd h LYS 83 N 0.73 0.69 0.00 2.33 2.10 0.20 -2.51 116.57 120.11 1wfd h LYS 83 Ca 0.04 -0.43 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1wfd h LYS 83 Cb 1.05 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1wfd h LYS 83 CO 0.11 1.05 0.00 0.93 -2.00 0.00 0.00 179.45 179.54 1wfd h GLU 84 N 0.53 0.00 -1.95 0.07 5.08 -1.14 -2.82 114.58 114.36 1wfd h GLU 84 Ca 0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 1wfd h GLU 84 Cb 1.11 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 1wfd h GLU 84 CO 0.11 0.00 0.07 -0.25 -1.00 0.00 0.00 179.01 177.94 1wfd n ASP 85 N -2.54 5.93 -4.07 1.42 8.00 -0.95 -4.74 116.55 119.59 1wfd n ASP 85 Ca -0.01 -2.86 -0.36 0.00 0.71 0.00 0.00 54.79 52.27 1wfd n ASP 85 Cb 0.10 -1.28 -0.07 0.00 -0.02 0.00 0.00 41.12 39.86 1wfd n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfd n GLY 86 N 1.47 -0.35 0.00 0.44 0.00 -1.08 -4.85 105.19 100.81 1wfd n GLY 86 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.54 2.11 -1.51 1.61 5.02 -1.11 -5.07 118.16 115.66 1wfd n LYS 87 Ca 0.10 0.00 -0.52 0.00 -2.02 0.00 0.00 58.31 55.87 1wfd n LYS 87 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 1wfd n LYS 87 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wfd n SER 88 N -1.00 0.30 0.00 4.39 3.41 -1.26 -4.72 113.62 114.74 1wfd n SER 88 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1wfd n SER 88 Cb 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfd n GLY 89 N 1.86 0.38 3.81 5.00 0.00 -1.26 -3.83 105.19 111.15 1wfd n GLY 89 Ca 0.18 0.68 -0.31 0.00 0.00 0.00 0.00 46.02 46.57 1wfd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfd s PRO 90 N 0.00 2.61 0.43 1.61 0.04 -1.26 -4.85 135.00 133.57 1wfd s PRO 90 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1wfd s PRO 90 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1wfd s PRO 90 CO 0.00 -1.30 0.00 0.43 0.04 0.00 0.00 177.00 176.17 1wfd n SER 91 N -3.25 -7.13 -4.77 6.66 7.64 -1.26 -4.86 113.62 106.66 1wfd n SER 91 Ca 0.07 1.03 -0.39 0.00 1.01 0.00 0.00 58.87 60.60 1wfd n SER 91 Cb 0.55 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 60.04 1wfd n SER 91 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfd s SER 92 N -3.25 6.14 0.00 6.43 0.15 -1.26 -5.21 113.70 116.69 1wfd s SER 92 Ca 0.00 2.65 0.22 0.00 0.70 0.00 0.00 55.95 59.51 1wfd s SER 92 Cb 0.00 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.85 1wfd s SER 92 CO 0.00 -0.97 1.19 0.61 1.20 0.00 0.00 173.24 175.27