#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw s SER 2 N 0.00 -0.09 0.09 1.61 0.01 -1.26 -5.17 113.70 108.89 1wgw s SER 2 Ca 0.00 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.38 1wgw s SER 2 Cb 0.00 1.09 -0.04 0.00 0.21 0.00 0.00 66.02 67.28 1wgw s SER 2 CO 0.00 -0.02 0.14 -0.44 0.41 0.00 0.00 173.24 173.33 1wgw s SER 3 N 2.47 5.85 0.04 2.44 0.01 -1.26 -5.00 113.70 118.24 1wgw s SER 3 Ca -0.04 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wgw s SER 3 Cb -0.04 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1wgw s SER 3 CO -0.12 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1wgw n GLY 4 N 0.23 -2.21 2.60 3.44 0.00 -1.26 -4.94 105.19 103.05 1wgw n GLY 4 Ca -0.07 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1wgw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgw s SER 5 N -4.86 3.04 0.00 1.61 0.15 -1.26 -4.90 113.70 107.49 1wgw s SER 5 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1wgw s SER 5 Cb 0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1wgw s SER 5 CO 0.00 -0.43 0.00 -0.24 1.20 0.00 0.00 173.24 173.77 1wgw n SER 6 N 5.26 0.00 0.00 5.45 2.88 -1.26 -5.12 113.62 120.83 1wgw n SER 6 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1wgw n SER 6 Cb 0.43 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1wgw n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 7 N -1.01 -0.62 5.16 0.46 0.00 -1.26 -5.06 105.19 102.87 1wgw n GLY 7 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw n ALA 8 N -0.25 0.00 -0.33 4.61 0.00 -1.26 -4.35 120.51 118.93 1wgw n ALA 8 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 1wgw n ALA 8 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 1wgw n ALA 8 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1wgw h ASP 9 N 0.00 0.00 0.00 0.00 1.82 -1.97 -1.24 116.42 115.03 1wgw h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wgw h ASP 9 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1wgw h ASP 9 CO 0.00 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 177.81 1wgw n LEU 10 N -3.93 0.00 0.06 2.28 4.77 -1.26 -0.56 117.00 118.36 1wgw n LEU 10 Ca 0.27 0.62 0.21 0.00 -0.03 0.00 0.00 56.01 57.07 1wgw n LEU 10 Cb 1.37 -0.12 0.63 0.00 -2.33 0.00 0.00 43.42 42.97 1wgw n LEU 10 CO 0.37 -0.12 1.18 1.23 -1.33 0.00 0.00 177.39 178.73 1wgw h GLY 11 N 0.00 0.00 1.95 -0.72 0.00 -1.72 1.40 103.07 103.98 1wgw h GLY 11 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1wgw h GLY 11 CO 0.00 0.00 -0.59 3.21 0.00 0.00 0.00 176.54 179.16 1wgw h ARG 12 N 0.00 0.05 -0.13 4.80 2.47 -0.76 1.32 114.38 122.13 1wgw h ARG 12 Ca 0.24 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.75 1wgw h ARG 12 Cb 1.57 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.89 1wgw h ARG 12 CO -0.00 0.62 -0.63 0.87 0.56 0.00 0.00 179.97 181.39 1wgw h LYS 13 N 0.04 0.46 0.10 0.04 1.57 0.44 -3.09 116.57 116.12 1wgw h LYS 13 Ca -0.01 -0.33 -0.23 0.00 -1.87 0.00 0.00 60.65 58.22 1wgw h LYS 13 Cb 1.05 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1wgw h LYS 13 CO 0.08 0.95 -1.17 0.82 -0.57 0.00 0.00 179.45 179.56 1wgw h ILE 14 N 0.34 1.17 -0.86 1.86 2.04 -1.27 -3.33 117.51 117.45 1wgw h ILE 14 Ca -0.01 -2.39 0.08 0.00 1.00 0.00 0.00 64.86 63.53 1wgw h ILE 14 Cb 1.18 2.80 -0.10 0.00 -0.74 0.00 0.00 36.82 39.97 1wgw h ILE 14 CO 0.11 0.65 -0.51 0.41 0.00 0.00 0.00 178.15 178.82 1wgw n THR 15 N -4.07 -0.59 -0.34 -0.27 -1.04 0.45 0.18 114.28 108.60 1wgw n THR 15 Ca -0.23 2.21 0.15 0.00 -2.04 0.00 0.00 64.05 64.14 1wgw n THR 15 Cb 0.83 -2.74 0.35 0.00 -1.82 0.00 0.00 70.33 66.95 1wgw n THR 15 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1wgw h SER 16 N 0.00 0.66 0.44 8.00 0.87 -1.71 0.96 113.55 122.77 1wgw h SER 16 Ca 0.14 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1wgw h SER 16 Cb 0.35 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1wgw h SER 16 CO -0.81 0.14 -0.26 0.00 -0.53 0.00 0.00 176.83 175.37 1wgw h ALA 17 N 1.70 -1.12 -0.81 6.23 0.00 0.17 0.16 119.26 125.60 1wgw h ALA 17 Ca 0.61 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.52 1wgw h ALA 17 Cb 1.09 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1wgw h ALA 17 CO -0.45 -1.09 0.53 -0.07 0.00 0.00 0.00 179.25 178.17 1wgw h LEU 18 N -0.65 0.54 -1.99 0.00 3.38 0.01 0.71 115.31 117.31 1wgw h LEU 18 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wgw h LEU 18 Cb 0.51 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1wgw h LEU 18 CO 0.07 0.29 -0.08 0.03 0.09 0.00 0.00 178.44 178.84 1wgw h ARG 19 N 0.58 0.00 0.00 1.13 2.47 0.14 -0.68 114.38 118.02 1wgw h ARG 19 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1wgw h ARG 19 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1wgw h ARG 19 CO -0.16 0.08 0.00 1.03 0.56 0.00 0.00 179.97 181.48 1wgw h SER 20 N 0.00 0.00 0.00 7.04 0.87 0.34 -3.10 113.55 118.71 1wgw h SER 20 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1wgw h SER 20 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1wgw h SER 20 CO 0.01 0.00 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.05 1wgw h LEU 21 N 0.00 0.00 -1.45 2.23 3.38 -1.12 -2.36 115.31 115.98 1wgw h LEU 21 Ca 0.00 -0.06 0.48 0.00 0.09 0.00 0.00 57.88 58.39 1wgw h LEU 21 Cb 0.39 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 1wgw h LEU 21 CO 0.00 0.63 0.97 -1.54 0.09 0.00 0.00 178.44 178.58 1wgw n SER 22 N -4.71 0.15 -0.04 -0.43 3.41 -1.19 0.19 113.62 110.99 1wgw n SER 22 Ca -0.03 1.23 -0.16 0.00 -0.26 0.00 0.00 58.87 59.64 1wgw n SER 22 Cb 0.12 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.33 1wgw n SER 22 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1wgw h ASN 23 N 0.00 0.14 -2.81 4.04 -1.24 -1.65 -3.46 115.58 110.60 1wgw h ASN 23 Ca 0.85 -0.95 -0.59 0.00 0.71 0.00 0.00 56.30 56.32 1wgw h ASN 23 Cb 2.92 -0.04 0.16 0.00 0.73 0.00 0.00 38.32 42.09 1wgw h ASN 23 CO -0.34 1.15 -0.32 0.00 -1.29 0.00 0.00 177.43 176.63 1wgw n ALA 24 N -2.68 -1.06 -0.03 1.57 0.00 0.49 -4.92 120.51 113.87 1wgw n ALA 24 Ca -0.13 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1wgw n ALA 24 Cb 0.60 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1wgw n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wgw n THR 25 N -1.33 0.37 0.07 0.00 -1.04 -1.26 -4.78 114.28 106.31 1wgw n THR 25 Ca 0.11 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.05 61.89 1wgw n THR 25 Cb 0.44 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 68.10 1wgw n THR 25 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wgw h ILE 26 N 0.00 0.00 -4.53 12.58 1.08 -1.94 -3.49 117.51 121.20 1wgw h ILE 26 Ca -0.14 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1wgw h ILE 26 Cb 1.31 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.96 1wgw h ILE 26 CO 0.00 0.00 -1.23 -0.38 -0.69 0.00 0.00 178.15 175.86 1wgw n ILE 27 N -2.65-11.11 -3.95 -0.67 2.08 -1.26 -5.09 119.36 96.71 1wgw n ILE 27 Ca -0.02 2.32 -0.12 0.00 0.56 0.00 0.00 62.75 65.49 1wgw n ILE 27 Cb 0.08 -5.91 -0.01 0.00 -0.75 0.00 0.00 39.64 33.05 1wgw n ILE 27 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1wgw s ASN 28 N -0.53 0.45 0.25 4.38 2.20 -1.26 -5.00 114.94 115.44 1wgw s ASN 28 Ca -0.20 -1.30 -0.03 0.00 -0.94 0.00 0.00 52.86 50.38 1wgw s ASN 28 Cb 0.01 0.76 0.52 0.00 -2.00 0.00 0.00 41.25 40.54 1wgw s ASN 28 CO 0.54 -1.49 1.67 -0.08 -2.94 0.00 0.00 177.10 174.80 1wgw h GLU 29 N 2.05 0.24 -0.08 3.55 4.81 -1.99 -0.17 114.58 123.00 1wgw h GLU 29 Ca -0.30 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1wgw h GLU 29 Cb 1.24 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1wgw h GLU 29 CO 0.39 0.16 -0.28 1.49 -0.73 0.00 0.00 179.01 180.05 1wgw h GLU 30 N 0.25 -0.36 0.00 1.92 4.57 -1.97 0.19 114.58 119.18 1wgw h GLU 30 Ca 0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1wgw h GLU 30 Cb 0.80 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1wgw h GLU 30 CO -0.55 -0.24 0.00 0.28 -1.18 0.00 0.00 179.01 177.32 1wgw n VAL 31 N -5.39 0.00 -0.25 0.32 0.31 -0.10 0.22 118.33 113.43 1wgw n VAL 31 Ca -0.04 1.45 -0.03 0.00 -0.01 0.00 0.00 64.34 65.71 1wgw n VAL 31 Cb 0.30 -2.06 0.03 0.00 -0.91 0.00 0.00 33.84 31.21 1wgw n VAL 31 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wgw h LEU 32 N 0.00 -1.14 -0.44 7.52 3.38 -1.31 1.71 115.31 125.03 1wgw h LEU 32 Ca 0.00 0.25 0.09 0.00 0.09 0.00 0.00 57.88 58.30 1wgw h LEU 32 Cb 0.00 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1wgw h LEU 32 CO 0.00 -0.29 -0.14 -1.13 0.09 0.00 0.00 178.44 176.96 1wgw h ASN 33 N -0.10 -0.51 0.45 -0.43 -1.24 0.78 1.32 115.58 115.86 1wgw h ASN 33 Ca 0.28 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.41 1wgw h ASN 33 Cb 0.56 0.31 0.00 0.00 0.73 0.00 0.00 38.32 39.93 1wgw h ASN 33 CO -0.76 -0.18 -0.22 0.00 -1.29 0.00 0.00 177.43 174.98 1wgw h ALA 34 N 1.35 -0.95 -1.22 1.57 0.00 0.70 -2.79 119.26 117.92 1wgw h ALA 34 Ca 0.21 -0.13 0.36 0.00 0.00 0.00 0.00 54.91 55.35 1wgw h ALA 34 Cb 0.37 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1wgw h ALA 34 CO -0.47 -0.90 0.80 1.98 0.00 0.00 0.00 179.25 180.65 1wgw h MET 35 N -0.73 0.19 -0.05 0.00 1.85 0.26 0.47 114.93 116.93 1wgw h MET 35 Ca -0.06 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.04 1wgw h MET 35 Cb 0.46 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 1wgw h MET 35 CO 0.10 0.13 -0.10 -0.07 -0.40 0.00 0.00 176.91 176.57 1wgw h LEU 36 N 0.20 -0.30 -1.79 3.39 3.38 0.19 0.24 115.31 120.62 1wgw h LEU 36 Ca 0.71 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.78 1wgw h LEU 36 Cb 2.16 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 43.04 1wgw h LEU 36 CO -0.31 -0.14 0.46 0.50 0.09 0.00 0.00 178.44 179.03 1wgw h LYS 37 N -0.15 0.00 0.00 1.13 3.64 0.21 1.86 116.57 123.26 1wgw h LYS 37 Ca 0.05 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1wgw h LYS 37 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1wgw h LYS 37 CO -0.14 0.00 -1.39 0.39 -2.27 0.00 0.00 179.45 176.04 1wgw n GLU 38 N -3.12 0.62 -0.08 1.90 -0.58 0.66 -3.67 120.64 116.38 1wgw n GLU 38 Ca 0.02 0.23 -0.07 0.00 -0.42 0.00 0.00 57.16 56.92 1wgw n GLU 38 Cb 0.55 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1wgw n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1wgw n VAL 39 N -2.89 1.44 -0.46 2.62 0.31 0.50 -3.93 118.33 115.92 1wgw n VAL 39 Ca -0.09 0.18 0.38 0.00 -0.01 0.00 0.00 64.34 64.80 1wgw n VAL 39 Cb 0.83 -2.34 0.66 0.00 -0.91 0.00 0.00 33.84 32.08 1wgw n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgw h THR 41 N 0.06 0.00 -0.95 0.00 2.02 -1.70 0.98 112.91 113.33 1wgw h THR 41 Ca 0.84 0.00 0.17 0.00 0.77 0.00 0.00 66.41 68.18 1wgw h THR 41 Cb 2.68 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 68.92 1wgw h THR 41 CO -0.41 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.16 1wgw h ALA 42 N -1.07 0.36 -0.59 6.16 0.00 -0.16 1.71 119.26 125.67 1wgw h ALA 42 Ca -0.07 0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1wgw h ALA 42 Cb 0.85 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 1wgw h ALA 42 CO 0.00 -0.52 0.32 -0.07 0.00 0.00 0.00 179.25 178.98 1wgw h LEU 43 N -0.01 0.47 -1.28 0.00 -0.00 -1.19 0.54 115.31 113.85 1wgw h LEU 43 Ca 0.39 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 58.25 1wgw h LEU 43 Cb 0.64 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1wgw h LEU 43 CO -0.96 0.32 -0.05 -0.07 -0.00 0.00 0.00 178.44 177.68 1wgw h LEU 44 N 0.61 0.41 -0.25 1.67 3.38 0.43 0.32 115.31 121.88 1wgw h LEU 44 Ca 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wgw h LEU 44 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wgw h LEU 44 CO -0.16 0.51 0.00 -0.62 0.09 0.00 0.00 178.44 178.25 1wgw n GLU 45 N -4.28 1.16 -0.10 1.13 1.02 0.47 -3.74 120.64 116.31 1wgw n GLU 45 Ca 0.01 -0.24 -0.14 0.00 -0.02 0.00 0.00 57.16 56.76 1wgw n GLU 45 Cb 0.25 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1wgw n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n ALA 46 N -0.54 0.91 0.00 0.62 0.00 0.06 -5.02 120.51 116.54 1wgw n ALA 46 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1wgw n ALA 46 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1wgw n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wgw n ASP 47 N -4.42 0.00 -4.33 0.00 8.00 -0.92 -5.11 116.55 109.77 1wgw n ASP 47 Ca -0.24 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 54.80 1wgw n ASP 47 Cb 0.59 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 1wgw n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wgw n VAL 48 N 0.00 1.44 -2.43 2.53 0.31 -1.19 -4.84 118.33 114.15 1wgw n VAL 48 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 1wgw n VAL 48 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1wgw s ASN 49 N -0.99 7.13 0.31 4.52 2.47 -1.26 -4.66 114.94 122.45 1wgw s ASN 49 Ca 0.62 2.31 0.05 0.00 0.42 0.00 0.00 52.86 56.25 1wgw s ASN 49 Cb -0.81 -2.63 0.68 0.00 -1.45 0.00 0.00 41.25 37.05 1wgw s ASN 49 CO 0.58 -0.24 1.83 -0.29 -3.72 0.00 0.00 177.10 175.26 1wgw h ILE 50 N 2.98 0.83 -0.39 -5.21 6.09 -1.98 0.65 117.51 120.49 1wgw h ILE 50 Ca -0.47 -0.29 0.06 0.00 -1.37 0.00 0.00 64.86 62.79 1wgw h ILE 50 Cb 1.21 -0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.40 1wgw h ILE 50 CO 0.66 0.15 0.27 0.11 -3.07 0.00 0.00 178.15 176.27 1wgw h LYS 51 N 0.85 0.26 0.02 2.19 6.56 -1.98 0.44 116.57 124.91 1wgw h LYS 51 Ca 0.51 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 60.08 1wgw h LYS 51 Cb 0.68 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1wgw h LYS 51 CO -0.28 0.17 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.21 1wgw h LEU 52 N 0.27 -0.02 -2.18 2.94 3.38 -0.21 -2.97 115.31 116.53 1wgw h LEU 52 Ca 0.17 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1wgw h LEU 52 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wgw h LEU 52 CO -0.03 0.75 0.28 0.58 0.09 0.00 0.00 178.44 180.11 1wgw h VAL 53 N -0.98 0.22 0.00 1.22 2.07 -0.31 1.53 116.25 120.00 1wgw h VAL 53 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1wgw h VAL 53 Cb 0.59 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1wgw h VAL 53 CO 0.00 0.00 -0.26 0.11 0.02 0.00 0.00 177.57 177.45 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 -0.15 -3.03 116.57 116.53 1wgw h LYS 54 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wgw h LYS 54 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1wgw h LYS 54 CO -0.00 0.15 -1.07 0.00 -0.57 0.00 0.00 179.45 177.96 1wgw n GLN 55 N -3.10 0.20 -0.06 3.15 10.64 0.49 -4.21 117.38 124.49 1wgw n GLN 55 Ca 0.03 -0.03 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 1wgw n GLN 55 Cb 0.60 -1.54 -0.11 0.00 -0.86 0.00 0.00 30.24 28.33 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1wgw h LEU 56 N 0.00 -0.01 -0.67 2.61 6.46 -0.50 -2.45 115.31 120.75 1wgw h LEU 56 Ca 0.00 -0.83 0.13 0.00 -0.12 0.00 0.00 57.88 57.06 1wgw h LEU 56 Cb 0.65 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.46 1wgw h LEU 56 CO 0.00 0.88 -0.24 0.08 -0.62 0.00 0.00 178.44 178.54 1wgw h ARG 57 N -0.94 -0.06 0.56 1.25 0.11 -1.71 0.87 114.38 114.46 1wgw h ARG 57 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 1wgw h ARG 57 Cb 0.84 0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.94 1wgw h ARG 57 CO 0.00 -0.04 -0.27 1.05 0.10 0.00 0.00 179.97 180.81 1wgw h GLU 58 N -0.06 -0.73 -0.63 0.08 4.11 -1.73 1.30 114.58 116.92 1wgw h GLU 58 Ca 0.30 0.05 0.18 0.00 0.07 0.00 0.00 59.36 59.97 1wgw h GLU 58 Cb 0.53 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1wgw h GLU 58 CO -0.72 -0.44 0.57 -0.91 0.07 0.00 0.00 179.01 177.59 1wgw h ASN 59 N -0.89 0.00 0.00 3.06 2.35 -0.75 1.45 115.58 120.80 1wgw h ASN 59 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1wgw h ASN 59 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1wgw h ASN 59 CO 0.13 0.00 -0.17 0.58 -1.65 0.00 0.00 177.43 176.32 1wgw h VAL 60 N 0.00 0.00 -1.01 2.81 2.07 0.14 -2.78 116.25 117.48 1wgw h VAL 60 Ca 0.30 -0.74 0.23 0.00 0.82 0.00 0.00 66.70 67.31 1wgw h VAL 60 Cb 1.44 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.11 1wgw h VAL 60 CO -0.00 0.00 0.62 0.11 0.02 0.00 0.00 177.57 178.32 1wgw h LYS 61 N -0.74 0.57 0.00 1.57 1.57 0.24 1.45 116.57 121.23 1wgw h LYS 61 Ca 0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1wgw h LYS 61 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1wgw h LYS 61 CO 0.00 0.37 -0.32 1.03 -0.57 0.00 0.00 179.45 179.97 1wgw h SER 62 N 0.58 0.00 0.79 0.86 0.87 0.18 -1.90 113.55 114.94 1wgw h SER 62 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1wgw h SER 62 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wgw h SER 62 CO -0.39 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 176.23 1wgw h ALA 63 N 1.68 1.00 -3.00 6.23 0.00 0.23 -3.43 119.26 121.97 1wgw h ALA 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wgw h ALA 63 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wgw h ALA 63 CO 0.04 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.40 1wgw n ILE 64 N -2.38 0.00 -2.72 0.00 2.08 -0.71 -5.07 119.36 110.55 1wgw n ILE 64 Ca 0.02 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.32 1wgw n ILE 64 Cb 0.25 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.16 1wgw n ILE 64 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1wgw s ASP 65 N -0.51 -0.30 0.12 4.38 -1.08 -1.26 -5.01 116.67 113.01 1wgw s ASP 65 Ca 0.00 -0.26 0.21 0.00 -0.52 0.00 0.00 52.55 51.99 1wgw s ASP 65 Cb 0.00 0.39 -0.10 0.00 -1.46 0.00 0.00 42.92 41.74 1wgw s ASP 65 CO 0.00 -0.02 0.86 0.18 0.52 0.00 0.00 175.17 176.70 1wgw n LEU 66 N 3.12 0.65 0.17 -1.34 4.77 -1.26 -3.93 117.00 119.18 1wgw n LEU 66 Ca 0.09 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.50 1wgw n LEU 66 Cb 0.64 -0.01 0.80 0.00 -2.33 0.00 0.00 43.42 42.52 1wgw n LEU 66 CO -0.11 -0.07 1.15 1.05 -1.33 0.00 0.00 177.39 178.08 1wgw h GLU 67 N 0.00 0.00 -0.83 3.23 4.11 -1.96 -3.37 114.58 115.76 1wgw h GLU 67 Ca -0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.45 1wgw h GLU 67 Cb 1.14 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.19 1wgw h GLU 67 CO 0.01 0.00 -0.30 -1.21 0.07 0.00 0.00 179.01 177.58 1wgw s GLU 68 N -4.69 0.47 -0.29 1.06 2.02 -1.25 -5.12 118.70 110.90 1wgw s GLU 68 Ca -0.05 0.43 -0.00 0.00 0.02 0.00 0.00 54.97 55.37 1wgw s GLU 68 Cb 0.16 0.20 0.14 0.00 0.10 0.00 0.00 34.13 34.73 1wgw s GLU 68 CO 0.57 -0.87 0.29 0.00 0.02 0.00 0.00 175.26 175.27 1wgw s MET 69 N 2.83 0.34 0.00 1.61 0.23 -1.26 -4.94 119.30 118.11 1wgw s MET 69 Ca 0.14 -0.21 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 1wgw s MET 69 Cb -0.08 -0.68 0.00 0.00 -1.53 0.00 0.00 34.83 32.54 1wgw s MET 69 CO -0.25 -1.04 0.00 0.00 -2.03 0.00 0.00 175.02 171.70 1wgw n ALA 70 N 5.24 0.00 -3.63 3.16 0.00 -1.26 -4.94 120.51 119.07 1wgw n ALA 70 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1wgw n ALA 70 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1wgw n ALA 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wgw s SER 71 N -2.84 -0.14 0.00 0.00 0.01 -1.26 -5.17 113.70 104.30 1wgw s SER 71 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.48 1wgw s SER 71 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wgw s SER 71 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1wgw n GLY 72 N 1.14 2.27 0.40 3.44 0.00 -1.26 -4.97 105.19 106.21 1wgw n GLY 72 Ca -0.07 0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.25 1wgw n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wgw h LEU 73 N 0.00 0.00 -0.27 0.99 4.07 -2.02 0.37 115.31 118.45 1wgw h LEU 73 Ca 0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1wgw h LEU 73 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1wgw h LEU 73 CO 0.00 0.00 0.04 -1.13 -1.08 0.00 0.00 178.44 176.27 1wgw h ASN 74 N 0.00 -0.03 -0.68 -0.43 -1.24 -1.98 -0.75 115.58 110.48 1wgw h ASN 74 Ca 0.21 0.05 0.12 0.00 0.71 0.00 0.00 56.30 57.39 1wgw h ASN 74 Cb 1.43 0.08 -0.13 0.00 0.73 0.00 0.00 38.32 40.43 1wgw h ASN 74 CO -0.00 0.02 -0.31 0.11 -1.29 0.00 0.00 177.43 175.96 1wgw h LYS 75 N 0.13 -0.10 0.00 6.67 1.57 -0.64 1.86 116.57 126.07 1wgw h LYS 75 Ca 0.13 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1wgw h LYS 75 Cb 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1wgw h LYS 75 CO -0.19 -0.07 -0.11 0.00 -0.57 0.00 0.00 179.45 178.52 1wgw h ARG 76 N -0.10 0.00 0.06 3.15 3.08 -1.46 0.15 114.38 119.26 1wgw h ARG 76 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1wgw h ARG 76 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1wgw h ARG 76 CO -0.74 0.11 -0.03 -0.22 -1.07 0.00 0.00 179.97 178.02 1wgw h LYS 77 N 0.00 -0.08 -0.27 0.04 3.64 0.35 -0.62 116.57 119.62 1wgw h LYS 77 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1wgw h LYS 77 Cb 0.23 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1wgw h LYS 77 CO 0.01 -0.05 0.44 0.00 -2.27 0.00 0.00 179.45 177.58 1wgw h MET 78 N -0.44 0.00 0.00 1.90 -0.00 0.22 0.25 114.93 116.86 1wgw h MET 78 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1wgw h MET 78 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1wgw h MET 78 CO 0.01 0.00 -0.12 0.82 -0.00 0.00 0.00 176.91 177.62 1wgw h ILE 79 N 0.00 1.55 -0.14 -0.10 2.04 -0.76 0.44 117.51 120.52 1wgw h ILE 79 Ca 0.13 -2.21 0.02 0.00 1.00 0.00 0.00 64.86 63.81 1wgw h ILE 79 Cb 1.00 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1wgw h ILE 79 CO -0.00 0.52 0.10 1.56 0.00 0.00 0.00 178.15 180.33 1wgw h GLN 80 N -1.00 0.08 0.13 2.37 4.20 0.67 -2.00 115.11 119.56 1wgw h GLN 80 Ca -0.03 -0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.34 1wgw h GLN 80 Cb 0.94 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1wgw h GLN 80 CO -0.02 0.06 -1.73 1.25 -0.67 0.00 0.00 178.83 177.71 1wgw h HIS 81 N 0.09 0.49 -0.54 2.96 2.76 -0.68 -3.20 115.15 117.01 1wgw h HIS 81 Ca 0.06 -0.35 0.07 0.00 -2.20 0.00 0.00 60.37 57.95 1wgw h HIS 81 Cb 0.14 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 28.99 1wgw h HIS 81 CO -0.00 1.68 -0.52 0.00 -1.30 0.00 0.00 177.93 177.79 1wgw h ALA 82 N -0.00 -0.60 0.34 5.26 0.00 0.47 1.43 119.26 126.16 1wgw h ALA 82 Ca -0.37 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wgw h ALA 82 Cb 1.92 1.11 -0.00 0.00 0.00 0.00 0.00 17.79 20.81 1wgw h ALA 82 CO 0.07 -0.97 -0.23 0.28 0.00 0.00 0.00 179.25 178.40 1wgw h VAL 83 N -0.29 0.00 -0.70 0.00 2.07 -1.56 0.42 116.25 116.19 1wgw h VAL 83 Ca 0.12 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.84 1wgw h VAL 83 Cb 0.56 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1wgw h VAL 83 CO -0.67 0.00 0.86 -0.26 0.02 0.00 0.00 177.57 177.52 1wgw h PHE 84 N -0.55 0.00 0.00 1.57 0.04 -1.41 0.46 116.94 117.05 1wgw h PHE 84 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1wgw h PHE 84 Cb 0.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1wgw h PHE 84 CO -0.04 0.00 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.39 1wgw h LYS 85 N 0.00 0.00 -1.00 1.51 3.11 0.31 -3.32 116.57 117.18 1wgw h LYS 85 Ca 0.33 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.39 1wgw h LYS 85 Cb 2.06 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 33.18 1wgw h LYS 85 CO -0.00 0.73 0.62 0.93 -2.81 0.00 0.00 179.45 178.91 1wgw h GLU 86 N -1.00 0.62 -0.66 1.90 4.39 0.43 0.87 114.58 121.13 1wgw h GLU 86 Ca -0.02 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.84 1wgw h GLU 86 Cb 0.75 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 1wgw h GLU 86 CO -0.01 0.41 0.48 -0.07 -1.16 0.00 0.00 179.01 178.65 1wgw h LEU 87 N 0.63 0.00 -0.47 1.33 3.38 -1.19 0.82 115.31 119.81 1wgw h LEU 87 Ca 0.59 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.39 1wgw h LEU 87 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wgw h LEU 87 CO -0.38 0.00 -0.72 0.58 0.09 0.00 0.00 178.44 178.02 1wgw h VAL 88 N 0.00 1.41 0.00 1.22 2.07 0.66 -3.37 116.25 118.24 1wgw h VAL 88 Ca 0.31 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1wgw h VAL 88 Cb 1.26 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1wgw h VAL 88 CO -0.00 0.65 0.00 0.29 0.02 0.00 0.00 177.57 178.53 1wgw n LYS 89 N -3.81 0.00 -4.27 1.57 5.02 0.27 -4.86 118.16 112.07 1wgw n LYS 89 Ca -0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1wgw n LYS 89 Cb 0.70 -0.51 -0.09 0.00 -0.02 0.00 0.00 35.03 35.11 1wgw n LYS 89 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wgw n VAL 90 N -0.41 -1.27 -2.32 -0.18 0.24 -0.09 -3.14 118.33 111.15 1wgw n VAL 90 Ca 0.00 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.34 61.80 1wgw n VAL 90 Cb 0.00 -1.22 -0.01 0.00 -1.47 0.00 0.00 33.84 31.14 1wgw n VAL 90 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wgw n LYS 91 N -4.55 -2.56 -1.08 7.34 4.76 -1.26 -4.92 118.16 115.88 1wgw n LYS 91 Ca -0.32 2.17 -0.36 0.00 -2.87 0.00 0.00 58.31 56.93 1wgw n LYS 91 Cb 0.69 -3.99 0.07 0.00 -1.84 0.00 0.00 35.03 29.96 1wgw n LYS 91 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1wgw n VAL 92 N 0.61 0.74 -0.05 -0.18 0.31 -1.19 -4.94 118.33 113.63 1wgw n VAL 92 Ca -0.05 -0.37 -0.22 0.00 -0.01 0.00 0.00 64.34 63.68 1wgw n VAL 92 Cb 0.08 -0.47 -0.13 0.00 -0.91 0.00 0.00 33.84 32.41 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgw n TYR 93 N -2.63 1.05 0.00 3.52 4.11 -1.26 -4.92 117.16 117.02 1wgw n TYR 93 Ca 0.06 0.31 0.00 0.00 -0.00 0.00 0.00 57.90 58.27 1wgw n TYR 93 Cb 0.52 -1.12 0.00 0.00 -0.00 0.00 0.00 39.34 38.73 1wgw n TYR 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wgw n SER 94 N -3.88 0.00 0.00 9.48 2.88 -1.26 -5.17 113.62 115.67 1wgw n SER 94 Ca -0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1wgw n SER 94 Cb 0.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 95 N 0.00 2.39 3.06 0.46 0.00 -1.26 -4.94 105.19 104.89 1wgw n GLY 95 Ca 0.00 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1wgw n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgw n PRO 96 N 0.00 2.20 -4.37 1.61 -0.04 -1.26 -4.88 135.00 128.25 1wgw n PRO 96 Ca 0.00 -2.34 -0.28 0.00 -0.04 0.00 0.00 63.50 60.84 1wgw n PRO 96 Cb 0.00 -3.20 -0.12 0.00 -0.04 0.00 0.00 33.50 30.14 1wgw n PRO 96 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgw s SER 97 N 4.38 3.62 -0.33 3.54 1.04 -1.26 -5.11 113.70 119.59 1wgw s SER 97 Ca 0.54 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wgw s SER 97 Cb 0.12 -0.37 0.11 0.00 0.10 0.00 0.00 66.02 65.97 1wgw s SER 97 CO 0.04 0.14 0.12 -0.44 0.98 0.00 0.00 173.24 174.07 1wgw s SER 98 N -2.48 3.95 0.00 7.02 0.01 -1.26 -5.16 113.70 115.79 1wgw s SER 98 Ca 0.19 -1.76 0.29 0.00 1.31 0.00 0.00 55.95 55.98 1wgw s SER 98 Cb -0.09 -0.86 1.24 0.00 0.21 0.00 0.00 66.02 66.52 1wgw s SER 98 CO 0.10 -0.40 1.85 0.61 0.41 0.00 0.00 173.24 175.82