#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 2.17 0.29 1.61 1.04 -1.26 -5.17 113.70 112.39 1wfd s SER 2 Ca 0.00 -1.34 -0.17 0.00 0.48 0.00 0.00 55.95 54.92 1wfd s SER 2 Cb 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.09 1wfd s SER 2 CO 0.00 -0.59 0.65 -0.44 0.98 0.00 0.00 173.24 173.85 1wfd s SER 3 N -3.43 -0.11 0.00 7.02 0.01 -1.26 -5.07 113.70 110.87 1wfd s SER 3 Ca 0.35 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1wfd s SER 3 Cb 0.08 0.71 0.00 0.00 0.21 0.00 0.00 66.02 67.02 1wfd s SER 3 CO 0.14 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 173.05 1wfd n GLY 4 N -0.46 -0.87 3.86 3.44 0.00 -1.26 -5.15 105.19 104.76 1wfd n GLY 4 Ca -0.04 0.37 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1wfd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfd s SER 5 N 0.00 5.27 0.57 1.61 1.04 -1.26 -5.08 113.70 115.84 1wfd s SER 5 Ca 0.00 1.22 0.08 0.00 0.48 0.00 0.00 55.95 57.73 1wfd s SER 5 Cb 0.00 -2.03 0.07 0.00 0.10 0.00 0.00 66.02 64.17 1wfd s SER 5 CO 0.00 -1.47 0.66 -0.44 0.98 0.00 0.00 173.24 172.97 1wfd s SER 6 N -4.20 4.92 0.00 7.02 0.01 -1.26 -5.10 113.70 115.09 1wfd s SER 6 Ca 0.59 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1wfd s SER 6 Cb -0.12 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1wfd s SER 6 CO 0.53 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1wfd n GLY 7 N -2.08 1.01 3.50 3.44 0.00 -1.26 -5.03 105.19 104.77 1wfd n GLY 7 Ca 0.10 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1wfd n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfd n GLN 8 N 0.00 0.02 0.00 1.61 10.64 -1.26 -2.95 117.38 125.44 1wfd n GLN 8 Ca 0.00 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wfd n GLN 8 Cb 0.00 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 1wfd n GLN 8 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wfd n ASP 9 N 10.40 0.00 -3.87 2.61 -0.08 -1.26 -5.08 116.55 119.27 1wfd n ASP 9 Ca 0.65 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.63 1wfd n ASP 9 Cb 0.05 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.36 1wfd n ASP 9 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1wfd s SER 10 N 0.00 4.36 -0.13 1.67 0.01 -1.15 -4.95 113.70 113.51 1wfd s SER 10 Ca 0.00 -1.86 -0.14 0.00 1.31 0.00 0.00 55.95 55.26 1wfd s SER 10 Cb 0.00 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.95 1wfd s SER 10 CO 0.00 -0.39 -0.28 -0.67 0.41 0.00 0.00 173.24 172.31 1wfd n ASP 11 N 4.57 1.75 0.05 2.44 2.03 -1.26 -4.55 116.55 121.57 1wfd n ASP 11 Ca 0.00 0.29 0.05 0.00 0.52 0.00 0.00 54.79 55.65 1wfd n ASP 11 Cb 0.42 -0.66 0.46 0.00 -0.72 0.00 0.00 41.12 40.63 1wfd n ASP 11 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1wfd h SER 12 N -0.79 0.38 -0.74 1.67 0.02 -1.92 -2.69 113.55 109.48 1wfd h SER 12 Ca -0.03 -0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.03 1wfd h SER 12 Cb 0.83 -0.10 -0.13 0.00 0.14 0.00 0.00 62.40 63.14 1wfd h SER 12 CO -0.02 0.28 -0.38 0.74 -1.14 0.00 0.00 176.83 176.31 1wfd h THR 13 N 0.45 0.09 -1.17 -2.27 2.02 -1.95 1.35 112.91 111.44 1wfd h THR 13 Ca 0.12 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.64 1wfd h THR 13 Cb -0.05 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.35 1wfd h THR 13 CO -0.03 0.00 0.76 0.00 0.37 0.00 0.00 175.52 176.62 1wfd h ALA 14 N 1.06 2.51 -0.15 6.16 0.00 -1.72 0.97 119.26 128.09 1wfd h ALA 14 Ca 0.26 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1wfd h ALA 14 Cb 0.56 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wfd h ALA 14 CO -0.80 -1.00 -0.22 0.00 0.00 0.00 0.00 179.25 177.23 1wfd h ALA 15 N 1.59 0.23 -0.96 0.00 0.00 0.16 0.27 119.26 120.54 1wfd h ALA 15 Ca 0.68 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1wfd h ALA 15 Cb 2.00 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1wfd h ALA 15 CO -0.32 0.18 0.61 0.28 0.00 0.00 0.00 179.25 180.00 1wfd h VAL 16 N 0.04 1.02 0.40 0.00 2.07 0.24 1.45 116.25 121.47 1wfd h VAL 16 Ca 0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1wfd h VAL 16 Cb 0.78 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1wfd h VAL 16 CO 0.05 0.19 -0.19 0.00 0.02 0.00 0.00 177.57 177.64 1wfd h ALA 17 N 1.47 -0.55 -0.72 1.67 0.00 -0.55 0.03 119.26 120.61 1wfd h ALA 17 Ca 0.44 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1wfd h ALA 17 Cb 0.27 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1wfd h ALA 17 CO -0.20 -0.51 0.20 -0.24 0.00 0.00 0.00 179.25 178.49 1wfd h VAL 18 N -1.12 0.57 0.01 0.00 3.04 -0.24 0.39 116.25 118.90 1wfd h VAL 18 Ca -0.06 -0.10 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1wfd h VAL 18 Cb 0.41 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 1wfd h VAL 18 CO 0.09 0.06 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.63 1wfd h LEU 19 N 0.30 -0.02 0.19 3.16 3.38 0.20 0.12 115.31 122.64 1wfd h LEU 19 Ca 0.40 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.38 1wfd h LEU 19 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1wfd h LEU 19 CO -0.47 -0.01 -0.41 0.11 0.09 0.00 0.00 178.44 177.75 1wfd h LYS 20 N -0.02 -0.66 -0.66 1.13 1.57 0.11 -0.69 116.57 117.35 1wfd h LYS 20 Ca -0.00 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1wfd h LYS 20 Cb 0.02 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1wfd h LYS 20 CO 0.00 -0.44 0.15 0.00 -0.57 0.00 0.00 179.45 178.60 1wfd h ARG 21 N -0.69 0.27 -0.04 3.15 2.47 -0.16 -1.37 114.38 118.02 1wfd h ARG 21 Ca 0.01 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.74 1wfd h ARG 21 Cb 0.69 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.89 1wfd h ARG 21 CO -0.20 0.18 -0.46 0.00 0.56 0.00 0.00 179.97 180.05 1wfd h ALA 22 N 1.53 -0.73 -0.79 0.04 0.00 0.16 0.74 119.26 120.20 1wfd h ALA 22 Ca 0.36 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.36 1wfd h ALA 22 Cb 0.56 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 19.02 1wfd h ALA 22 CO -0.44 -1.00 -0.29 0.28 0.00 0.00 0.00 179.25 177.81 1wfd h VAL 23 N -0.58 0.13 0.36 0.00 2.07 -0.06 0.48 116.25 118.65 1wfd h VAL 23 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1wfd h VAL 23 Cb 0.67 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1wfd h VAL 23 CO -0.35 0.00 -0.51 -0.33 0.02 0.00 0.00 177.57 176.40 1wfd h GLU 24 N -0.05 -0.87 -0.87 1.57 4.39 -0.60 0.54 114.58 118.68 1wfd h GLU 24 Ca 0.34 0.06 0.21 0.00 0.34 0.00 0.00 59.36 60.30 1wfd h GLU 24 Cb 0.59 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.31 1wfd h GLU 24 CO -0.83 -0.58 0.34 -0.07 -1.16 0.00 0.00 179.01 176.71 1wfd h LEU 25 N -0.90 0.24 -1.37 1.33 3.38 0.10 1.35 115.31 119.45 1wfd h LEU 25 Ca -0.04 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1wfd h LEU 25 Cb 0.82 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1wfd h LEU 25 CO -0.14 -0.02 0.45 -0.78 0.09 0.00 0.00 178.44 178.04 1wfd h ASP 26 N 0.36 0.72 1.26 -0.43 3.58 0.92 0.75 116.42 123.56 1wfd h ASP 26 Ca 0.53 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.85 1wfd h ASP 26 Cb 1.00 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 1wfd h ASP 26 CO -0.54 0.50 -0.60 0.00 -2.88 0.00 0.00 179.24 175.72 1wfd h ALA 27 N 1.60 0.66 -0.05 -0.78 0.00 0.36 -2.91 119.26 118.14 1wfd h ALA 27 Ca 0.27 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wfd h ALA 27 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wfd h ALA 27 CO -0.07 0.75 0.00 0.39 0.00 0.00 0.00 179.25 180.31 1wfd n GLU 28 N -3.32 1.33 -0.94 0.00 -0.58 0.25 -4.86 120.64 112.53 1wfd n GLU 28 Ca 0.01 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1wfd n GLU 28 Cb 0.74 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 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 -0.35 -1.80 -3.48 1.62 3.41 0.05 -4.90 113.62 108.17 1wfd n SER 29 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.39 1wfd n SER 29 Cb 0.20 -0.87 -0.01 0.00 -0.26 0.00 0.00 64.21 63.27 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 -2.04 4.19 -0.26 4.33 1.74 0.24 -4.66 116.66 120.19 1wfd n ARG 30 Ca 0.00 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 1wfd n ARG 30 Cb 0.06 -2.73 0.21 0.00 -1.02 0.00 0.00 32.46 28.98 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 4.88 1.03 -0.02 -1.55 0.05 -1.88 0.47 116.97 119.95 1wfd h TYR 31 Ca 0.72 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.53 1wfd h TYR 31 Cb 0.34 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1wfd h TYR 31 CO 1.64 0.64 0.20 1.96 -1.05 0.00 0.00 178.16 181.56 1wfd h GLN 32 N 1.11 0.00 0.00 4.88 1.08 -1.94 0.67 115.11 120.90 1wfd h GLN 32 Ca 0.31 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.23 1wfd h GLN 32 Cb -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 1wfd h GLN 32 CO -0.07 0.00 -2.03 1.04 -0.95 0.00 0.00 178.83 176.82 1wfd n GLN 33 N -3.04 0.48 0.29 1.46 6.02 -0.08 -4.29 117.38 118.22 1wfd n GLN 33 Ca -0.02 0.10 0.17 0.00 -0.01 0.00 0.00 57.00 57.24 1wfd n GLN 33 Cb 0.27 -1.36 0.85 0.00 1.02 0.00 0.00 30.24 31.01 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 0.01 1.12 0.27 -1.58 0.00 0.66 -1.36 119.26 118.37 1wfd h ALA 34 Ca -0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1wfd h ALA 34 Cb 1.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1wfd h ALA 34 CO -0.06 0.07 -0.13 1.25 0.00 0.00 0.00 179.25 180.38 1wfd h LEU 35 N 0.00 -0.30 -0.62 0.00 7.12 0.11 0.85 115.31 122.47 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 0.30 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.42 1wfd h LEU 35 CO 0.01 -0.11 0.12 -0.37 -0.13 0.00 0.00 178.44 177.95 1wfd h VAL 36 N -0.57 0.61 0.10 1.05 -1.51 -1.72 0.36 116.25 114.57 1wfd h VAL 36 Ca -0.04 -0.08 0.02 0.00 -1.23 0.00 0.00 66.70 65.37 1wfd h VAL 36 Cb 0.27 0.34 -0.04 0.00 -2.13 0.00 0.00 31.29 29.74 1wfd h VAL 36 CO 0.06 0.04 -0.29 0.00 -1.23 0.00 0.00 177.57 176.15 1wfd h TYR 38 N -0.50 0.83 -0.06 0.00 0.05 0.82 -0.19 116.97 117.92 1wfd h TYR 38 Ca 0.04 0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.61 1wfd h TYR 38 Cb 0.54 -0.26 0.01 0.00 1.01 0.00 0.00 36.73 38.03 1wfd h TYR 38 CO -0.28 0.33 -0.89 1.96 -1.05 0.00 0.00 178.16 178.23 1wfd h GLN 39 N 0.72 0.60 -0.87 4.88 1.08 0.12 -1.97 115.11 119.66 1wfd h GLN 39 Ca 0.43 -0.57 0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1wfd h GLN 39 Cb 0.64 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 1wfd h GLN 39 CO -0.19 1.19 0.54 0.93 -0.95 0.00 0.00 178.83 180.35 1wfd h GLU 40 N 0.37 0.95 0.09 1.46 4.39 0.40 -0.40 114.58 121.84 1wfd h GLU 40 Ca -0.08 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1wfd h GLU 40 Cb 1.52 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1wfd h GLU 40 CO 0.17 0.63 -0.04 0.78 -1.16 0.00 0.00 179.01 179.39 1wfd h GLY 41 N 0.98 -0.12 -0.41 -3.84 0.00 -1.24 -2.75 103.07 95.70 1wfd h GLY 41 Ca 0.38 0.05 0.13 0.00 0.00 0.00 0.00 47.33 47.89 1wfd h GLY 41 CO -0.18 -0.04 -0.21 -2.22 0.00 0.00 0.00 176.54 173.89 1wfd h ILE 42 N -0.75 0.27 -0.55 2.60 2.04 -1.11 1.12 117.51 121.13 1wfd h ILE 42 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1wfd h ILE 42 Cb 0.58 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1wfd h ILE 42 CO 0.02 0.00 0.22 0.44 0.00 0.00 0.00 178.15 178.83 1wfd h ASP 43 N -0.04 0.25 0.03 1.72 3.32 -1.13 0.75 116.42 121.32 1wfd h ASP 43 Ca 0.31 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1wfd h ASP 43 Cb 0.52 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1wfd h ASP 43 CO -0.71 0.17 -0.01 0.24 -1.72 0.00 0.00 179.24 177.20 1wfd h MET 44 N 0.42 -0.04 -0.07 3.56 2.86 0.28 -2.83 114.93 119.12 1wfd h MET 44 Ca 0.26 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 1wfd h MET 44 Cb 0.27 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1wfd h MET 44 CO -0.25 0.14 -0.04 -0.07 1.06 0.00 0.00 176.91 177.74 1wfd h LEU 45 N -0.21 -0.14 -0.98 1.22 3.38 0.16 -1.67 115.31 117.07 1wfd h LEU 45 Ca -0.00 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1wfd h LEU 45 Cb 0.19 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 1wfd h LEU 45 CO 0.01 -0.06 -0.56 0.18 0.09 0.00 0.00 178.44 178.09 1wfd n LEU 46 N -5.17 -1.01 -0.18 1.67 4.77 0.26 0.20 117.00 117.54 1wfd n LEU 46 Ca -0.05 1.75 0.08 0.00 -0.03 0.00 0.00 56.01 57.76 1wfd n LEU 46 Cb 0.10 -0.24 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 1wfd n LEU 46 CO 0.29 -1.44 1.21 1.56 -1.33 0.00 0.00 177.39 177.68 1wfd h GLN 47 N 0.00 0.67 0.30 3.23 4.20 -1.23 0.14 115.11 122.42 1wfd h GLN 47 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1wfd h GLN 47 Cb 0.42 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wfd h GLN 47 CO -0.93 0.45 -0.14 0.28 -0.67 0.00 0.00 178.83 177.81 1wfd h VAL 48 N 0.69 0.00 -0.71 -0.54 2.07 0.33 -2.92 116.25 115.17 1wfd h VAL 48 Ca 0.33 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.79 1wfd h VAL 48 Cb 0.38 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.03 1wfd h VAL 48 CO -0.12 0.00 -0.36 0.25 0.02 0.00 0.00 177.57 177.36 1wfd h LEU 49 N -0.57 -1.28 -0.99 2.57 6.46 0.21 0.66 115.31 122.36 1wfd h LEU 49 Ca -0.04 0.25 0.27 0.00 -0.12 0.00 0.00 57.88 58.24 1wfd h LEU 49 Cb 0.31 0.64 -0.18 0.00 -0.73 0.00 0.00 40.66 40.69 1wfd h LEU 49 CO 0.07 -0.30 0.00 0.29 -0.62 0.00 0.00 178.44 177.88 1wfd n LYS 50 N -5.44 -0.08 -2.67 1.25 4.01 0.46 -0.10 118.16 115.59 1wfd n LYS 50 Ca 0.06 1.49 -0.31 0.00 -0.51 0.00 0.00 58.31 59.03 1wfd n LYS 50 Cb 0.37 -2.35 -0.01 0.00 -0.51 0.00 0.00 35.03 32.52 1wfd n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfd n GLY 51 N -1.51 5.81 0.12 0.72 0.00 0.22 -4.67 105.19 105.88 1wfd n GLY 51 Ca 0.23 -2.72 -0.16 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.30 1.47 0.00 2.61 -1.04 0.85 -4.89 114.28 112.98 1wfd n THR 52 Ca 0.38 -0.63 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1wfd n THR 52 Cb 0.42 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1wfd n THR 52 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1wfd n LYS 53 N -3.15 0.00 -1.50 -2.82 0.00 -1.26 -4.81 118.16 104.62 1wfd n LYS 53 Ca -0.43 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.54 1wfd n LYS 53 Cb 1.03 0.00 -0.18 0.00 0.00 0.00 0.00 35.03 35.88 1wfd n LYS 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wfd n GLU 54 N 0.00 0.00 -0.32 1.64 -0.58 -1.26 -4.68 120.64 115.44 1wfd n GLU 54 Ca 0.00 -0.00 0.24 0.00 -0.42 0.00 0.00 57.16 56.98 1wfd n GLU 54 Cb 0.00 -1.31 0.46 0.00 -0.57 0.00 0.00 31.44 30.02 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 11.63 0.16 0.86 1.62 4.64 -2.00 0.26 113.55 130.72 1wfd h SER 55 Ca -0.02 0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1wfd h SER 55 Cb 1.24 0.28 0.01 0.00 -0.31 0.00 0.00 62.40 63.62 1wfd h SER 55 CO 1.48 -0.31 -0.41 0.28 -0.87 0.00 0.00 176.83 177.00 1wfd h SER 56 N 0.11 -0.98 -0.41 4.97 0.02 -1.98 -2.64 113.55 112.64 1wfd h SER 56 Ca 0.73 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.77 1wfd h SER 56 Cb 1.75 0.25 -0.09 0.00 0.14 0.00 0.00 62.40 64.46 1wfd h SER 56 CO -0.75 -0.62 -0.50 0.11 -1.14 0.00 0.00 176.83 173.93 1wfd h LYS 57 N -1.30 -0.36 -0.99 3.45 1.57 -1.00 0.26 116.57 118.20 1wfd h LYS 57 Ca -0.12 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 58.98 1wfd h LYS 57 Cb 0.88 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.09 1wfd h LYS 57 CO 0.19 -0.24 0.10 0.54 -0.57 0.00 0.00 179.45 179.47 1wfd n ARG 58 N -5.40 -0.08 0.43 3.15 1.74 0.50 0.19 116.66 117.20 1wfd n ARG 58 Ca -0.02 1.47 -0.19 0.00 -0.77 0.00 0.00 57.85 58.33 1wfd n ARG 58 Cb 0.35 -2.37 -0.09 0.00 -1.02 0.00 0.00 32.46 29.32 1wfd n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wfd h VAL 60 N -1.11 0.75 0.45 0.00 2.07 0.13 0.44 116.25 118.97 1wfd h VAL 60 Ca -0.11 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1wfd h VAL 60 Cb 0.87 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1wfd h VAL 60 CO 0.15 0.02 -0.45 -0.07 0.02 0.00 0.00 177.57 177.24 1wfd h LEU 61 N 0.11 -1.24 -1.94 2.57 3.38 0.23 0.47 115.31 118.89 1wfd h LEU 61 Ca 0.17 0.10 0.32 0.00 0.09 0.00 0.00 57.88 58.56 1wfd h LEU 61 Cb 0.23 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1wfd h LEU 61 CO -0.28 -0.60 0.84 0.03 0.09 0.00 0.00 178.44 178.52 1wfd h ARG 62 N -0.90 0.00 0.00 1.13 3.08 0.12 1.72 114.38 119.54 1wfd h ARG 62 Ca -0.06 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.78 1wfd h ARG 62 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1wfd h ARG 62 CO -0.06 0.00 -1.07 1.15 -1.07 0.00 0.00 179.97 178.92 1wfd h THR 63 N 0.00 1.64 0.00 2.04 2.02 0.93 -2.86 112.91 116.68 1wfd h THR 63 Ca 0.52 -3.36 -0.00 0.00 0.77 0.00 0.00 66.41 64.34 1wfd h THR 63 Cb 2.19 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 71.42 1wfd h THR 63 CO -0.01 0.94 -0.02 0.11 0.37 0.00 0.00 175.52 176.91 1wfd h LYS 64 N 0.00 0.00 -0.10 6.66 1.57 0.68 -1.80 116.57 123.58 1wfd h LYS 64 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wfd h LYS 64 Cb 1.80 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.07 1wfd h LYS 64 CO 0.13 0.34 -0.30 0.82 -0.57 0.00 0.00 179.45 179.86 1wfd h ILE 65 N -1.00 0.00 -0.32 1.86 2.04 0.45 0.55 117.51 121.10 1wfd h ILE 65 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1wfd h ILE 65 Cb 0.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1wfd h ILE 65 CO -0.00 0.00 -0.07 -1.28 0.00 0.00 0.00 178.15 176.80 1wfd h SER 66 N -0.30 -0.28 -0.55 1.72 0.87 -1.68 0.36 113.55 113.68 1wfd h SER 66 Ca 0.02 0.09 0.16 0.00 -1.23 0.00 0.00 61.79 60.83 1wfd h SER 66 Cb 0.36 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1wfd h SER 66 CO -0.26 -0.10 0.48 1.23 -0.53 0.00 0.00 176.83 177.65 1wfd h GLY 67 N 0.01 0.00 0.64 5.77 0.00 -0.45 0.77 103.07 109.82 1wfd h GLY 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1wfd h GLY 67 CO -0.32 0.00 -1.03 -1.72 0.00 0.00 0.00 176.54 173.47 1wfd n TYR 68 N -3.99 0.32 0.12 5.60 4.01 0.19 -3.94 117.16 119.47 1wfd n TYR 68 Ca 0.10 0.09 -0.24 0.00 -0.16 0.00 0.00 57.90 57.70 1wfd n TYR 68 Cb 0.70 -0.49 -0.16 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.47 -0.31 -0.72 2.86 0.42 -2.68 114.93 114.97 1wfd h MET 69 Ca 0.00 -0.81 0.00 0.00 -2.06 0.00 0.00 59.70 56.83 1wfd h MET 69 Cb 0.76 0.30 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1wfd h MET 69 CO 0.00 1.39 0.20 0.22 1.06 0.00 0.00 176.91 179.78 1wfd h ASP 70 N 0.01 0.36 -0.31 1.22 3.58 -1.23 0.30 116.42 120.36 1wfd h ASP 70 Ca -0.24 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 1wfd h ASP 70 Cb 2.04 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.98 1wfd h ASP 70 CO 0.24 0.27 0.17 -0.09 -2.88 0.00 0.00 179.24 176.95 1wfd h ARG 71 N 0.42 0.42 0.43 0.28 9.65 -1.68 -1.10 114.38 122.80 1wfd h ARG 71 Ca 0.11 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1wfd h ARG 71 Cb -0.04 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1wfd h ARG 71 CO -0.02 0.35 -0.28 0.00 2.80 0.00 0.00 179.97 182.81 1wfd h ALA 72 N 1.05 -0.69 -0.05 2.80 0.00 -1.10 -1.45 119.26 119.82 1wfd h ALA 72 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wfd h ALA 72 Cb 0.04 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wfd h ALA 72 CO -0.02 -0.90 -0.13 0.93 0.00 0.00 0.00 179.25 179.13 1wfd h GLU 73 N -0.69 -0.12 -0.98 0.00 5.08 -0.27 1.00 114.58 118.61 1wfd h GLU 73 Ca -0.05 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.60 1wfd h GLU 73 Cb 0.57 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.67 1wfd h GLU 73 CO 0.04 -0.08 0.05 0.09 -1.00 0.00 0.00 179.01 178.10 1wfd n ASN 74 N -3.27 -0.09 0.41 1.42 3.02 -0.43 0.15 115.26 116.48 1wfd n ASN 74 Ca -0.01 1.66 -0.16 0.00 -0.03 0.00 0.00 54.58 56.03 1wfd n ASN 74 Cb 0.09 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 38.56 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 -0.56 2.41 2.04 0.08 -0.26 117.51 121.22 1wfd h ILE 75 Ca 0.60 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 66.45 1wfd h ILE 75 Cb 1.27 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.24 1wfd h ILE 75 CO -0.91 0.00 -0.22 0.11 0.00 0.00 0.00 178.15 177.13 1wfd h LYS 76 N -1.19 -0.08 -0.53 2.37 1.57 0.49 1.93 116.57 121.12 1wfd h LYS 76 Ca -0.11 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1wfd h LYS 76 Cb 0.82 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1wfd h LYS 76 CO 0.18 -0.05 0.37 0.87 -0.57 0.00 0.00 179.45 180.25 1wfd h LYS 77 N -0.08 0.09 0.00 3.15 6.56 0.15 0.64 116.57 127.08 1wfd h LYS 77 Ca 0.26 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.73 1wfd h LYS 77 Cb 0.48 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.11 1wfd h LYS 77 CO -0.61 0.06 -1.01 -0.92 -2.06 0.00 0.00 179.45 174.91 1wfd h TYR 78 N 0.09 0.00 0.08 -1.35 3.20 0.33 -3.23 116.97 116.09 1wfd h TYR 78 Ca 0.25 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.87 1wfd h TYR 78 Cb 0.88 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.17 1wfd h TYR 78 CO -0.00 0.41 -1.03 -0.07 -1.64 0.00 0.00 178.16 175.83 1wfd h LEU 79 N 0.00 0.77 -0.71 2.82 3.38 0.63 0.34 115.31 122.55 1wfd h LEU 79 Ca -0.08 -0.81 0.03 0.00 0.09 0.00 0.00 57.88 57.11 1wfd h LEU 79 Cb 1.38 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1wfd h LEU 79 CO 0.04 1.50 0.44 0.44 0.09 0.00 0.00 178.44 180.95 1wfd h ASP 80 N 0.15 0.73 -0.11 -0.43 3.32 -0.05 0.18 116.42 120.20 1wfd h ASP 80 Ca -0.15 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 1wfd h ASP 80 Cb 1.72 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 41.12 1wfd h ASP 80 CO 0.20 0.50 -0.56 0.06 -1.72 0.00 0.00 179.24 177.73 1wfd h GLN 81 N 0.87 0.57 -0.50 3.56 3.07 -1.59 -3.06 115.11 118.03 1wfd h GLN 81 Ca 0.29 -0.47 0.12 0.00 0.09 0.00 0.00 58.65 58.68 1wfd h GLN 81 Cb 0.02 0.10 -0.02 0.00 0.08 0.00 0.00 27.48 27.66 1wfd h GLN 81 CO -0.11 1.09 0.35 0.93 0.09 0.00 0.00 178.83 181.18 1wfd h GLU 82 N 0.19 0.11 0.02 0.06 4.39 -0.45 0.41 114.58 119.31 1wfd h GLU 82 Ca -0.04 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wfd h GLU 82 Cb 1.20 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1wfd h GLU 82 CO 0.11 0.07 -0.01 0.87 -1.16 0.00 0.00 179.01 178.90 1wfd h LYS 83 N 0.11 -0.02 0.00 2.33 1.57 -0.88 -2.68 116.57 117.00 1wfd h LYS 83 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1wfd h LYS 83 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1wfd h LYS 83 CO -0.03 0.34 0.00 0.93 -0.57 0.00 0.00 179.45 180.12 1wfd h GLU 84 N -0.39 0.00 0.00 3.15 5.08 -1.08 -1.71 114.58 119.63 1wfd h GLU 84 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wfd h GLU 84 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wfd h GLU 84 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 1wfd n ASP 85 N -2.64 0.00 -1.28 1.42 8.00 0.13 -3.39 116.55 118.80 1wfd n ASP 85 Ca 0.02 -1.22 -0.04 0.00 0.71 0.00 0.00 54.79 54.26 1wfd n ASP 85 Cb 0.27 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.48 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 0.75 2.57 0.00 0.44 0.00 -0.65 -4.69 105.19 103.61 1wfd n GLY 86 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.03 0.00 0.00 1.61 4.76 -1.22 -4.58 118.16 118.77 1wfd n LYS 87 Ca 0.17 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1wfd n LYS 87 Cb 0.80 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1wfd n LYS 87 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wfd n SER 88 N -1.24 0.00 -4.64 4.39 2.88 -1.26 -4.88 113.62 108.86 1wfd n SER 88 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1wfd n SER 88 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 1wfd n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfd n GLY 89 N 0.00 -0.40 2.76 0.46 0.00 -1.26 -4.81 105.19 101.94 1wfd n GLY 89 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1wfd n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfd n PRO 90 N -3.04 2.37 -2.05 1.61 -0.04 -1.26 -4.91 135.00 127.69 1wfd n PRO 90 Ca 0.12 -2.04 -0.43 0.00 -0.04 0.00 0.00 63.50 61.11 1wfd n PRO 90 Cb 0.51 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 1wfd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfd s SER 91 N 3.69 6.38 0.29 3.54 0.15 -1.26 -4.92 113.70 121.56 1wfd s SER 91 Ca 0.52 1.78 -0.27 0.00 0.70 0.00 0.00 55.95 58.68 1wfd s SER 91 Cb 0.14 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.77 1wfd s SER 91 CO -0.00 -1.24 0.72 -1.20 1.20 0.00 0.00 173.24 172.72 1wfd n SER 92 N 8.39 -0.14 0.00 5.45 7.64 -1.26 -5.16 113.62 128.53 1wfd n SER 92 Ca 0.19 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1wfd n SER 92 Cb 0.45 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1wfd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64