#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 3.13 -0.16 1.61 1.04 -1.26 -5.09 113.70 112.97 1wgw s SER 2 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 1wgw s SER 2 Cb 0.00 -1.47 0.08 0.00 0.10 0.00 0.00 66.02 64.73 1wgw s SER 2 CO 0.00 0.04 0.23 -0.44 0.98 0.00 0.00 173.24 174.05 1wgw s SER 3 N 1.06 0.91 0.00 7.02 0.01 -1.26 -5.11 113.70 116.33 1wgw s SER 3 Ca -0.01 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wgw s SER 3 Cb -0.14 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wgw s SER 3 CO -0.08 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wgw n GLY 4 N 5.33 1.74 1.65 3.44 0.00 -1.26 -5.09 105.19 111.00 1wgw n GLY 4 Ca -0.05 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1wgw n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgw n SER 5 N 0.00 -2.24 -1.77 1.61 2.88 -1.26 -5.15 113.62 107.70 1wgw n SER 5 Ca 0.00 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1wgw n SER 5 Cb 0.00 2.27 0.00 0.00 -0.75 0.00 0.00 64.21 65.73 1wgw n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgw n SER 6 N -2.99 -7.19 0.00 -3.46 2.88 -1.26 -5.06 113.62 96.53 1wgw n SER 6 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wgw n SER 6 Cb 0.00 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 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 1.35 2.81 4.34 0.46 0.00 -1.26 -4.94 105.19 107.95 1wgw n GLY 7 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 1.38 0.00 0.30 4.61 0.00 -1.26 -4.37 120.51 121.16 1wgw n ALA 8 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1wgw n ALA 8 Cb 0.00 0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.35 1wgw n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wgw h ASP 9 N 0.00 0.00 0.38 0.00 5.19 -1.98 -2.61 116.42 117.40 1wgw h ASP 9 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1wgw h ASP 9 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1wgw h ASP 9 CO 0.00 0.01 -0.18 -0.07 -3.12 0.00 0.00 179.24 175.87 1wgw h LEU 10 N 0.00 -0.44 -1.93 1.55 3.38 -1.96 0.70 115.31 116.62 1wgw h LEU 10 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1wgw h LEU 10 Cb 0.02 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1wgw h LEU 10 CO 0.00 -0.31 0.37 1.23 0.09 0.00 0.00 178.44 179.82 1wgw h GLY 11 N -0.52 0.00 1.24 0.83 0.00 -1.87 0.61 103.07 103.37 1wgw h GLY 11 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.99 1wgw h GLY 11 CO 0.09 0.00 -1.53 3.21 0.00 0.00 0.00 176.54 178.31 1wgw h ARG 12 N 0.00 0.13 0.00 4.80 2.47 -1.03 -0.26 114.38 120.50 1wgw h ARG 12 Ca 0.02 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1wgw h ARG 12 Cb 0.75 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1wgw h ARG 12 CO -0.00 0.92 -0.05 0.87 0.56 0.00 0.00 179.97 182.26 1wgw h LYS 13 N 0.04 0.00 0.02 0.04 1.57 0.61 -2.91 116.57 115.94 1wgw h LYS 13 Ca -0.23 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.16 1wgw h LYS 13 Cb 1.97 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.22 1wgw h LYS 13 CO 0.13 0.05 -2.34 -0.89 -0.57 0.00 0.00 179.45 175.82 1wgw n ILE 14 N -3.19 1.56 -0.28 1.86 5.41 -0.74 -4.15 119.36 119.83 1wgw n ILE 14 Ca -0.00 -0.53 0.02 0.00 1.00 0.00 0.00 62.75 63.24 1wgw n ILE 14 Cb 0.30 -1.58 0.09 0.00 -0.71 0.00 0.00 39.64 37.74 1wgw n ILE 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1wgw h THR 15 N -0.18 0.19 -0.58 1.39 2.02 -0.92 1.30 112.91 116.12 1wgw h THR 15 Ca -0.56 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.64 1wgw h THR 15 Cb 1.86 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1wgw h THR 15 CO -0.11 0.00 0.38 0.28 0.37 0.00 0.00 175.52 176.44 1wgw h SER 16 N -0.01 0.62 -0.13 4.18 0.02 -1.72 1.27 113.55 117.78 1wgw h SER 16 Ca 0.38 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1wgw h SER 16 Cb 0.59 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1wgw h SER 16 CO -0.83 0.44 0.02 0.00 -1.14 0.00 0.00 176.83 175.32 1wgw h ALA 17 N 1.65 0.18 -0.08 3.77 0.00 0.13 0.66 119.26 125.57 1wgw h ALA 17 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1wgw h ALA 17 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wgw h ALA 17 CO -0.06 -0.16 -0.53 -0.07 0.00 0.00 0.00 179.25 178.44 1wgw h LEU 18 N -0.01 0.24 -0.73 0.00 3.38 0.23 -2.68 115.31 115.75 1wgw h LEU 18 Ca 0.04 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1wgw h LEU 18 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1wgw h LEU 18 CO 0.00 0.73 -0.50 0.03 0.09 0.00 0.00 178.44 178.79 1wgw h ARG 19 N 0.17 0.00 -1.00 1.13 2.47 0.19 -3.06 114.38 114.28 1wgw h ARG 19 Ca 0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 1wgw h ARG 19 Cb 0.99 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.24 1wgw h ARG 19 CO 0.08 0.50 0.64 1.03 0.56 0.00 0.00 179.97 182.79 1wgw h SER 20 N 0.00 1.03 0.89 7.04 0.87 0.69 -2.53 113.55 121.54 1wgw h SER 20 Ca -0.01 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1wgw h SER 20 Cb 1.07 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1wgw h SER 20 CO 0.07 0.65 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.49 1wgw h LEU 21 N 1.16 -1.09 -1.96 2.23 3.38 -1.57 0.38 115.31 117.84 1wgw h LEU 21 Ca 0.44 0.04 0.57 0.00 0.09 0.00 0.00 57.88 59.02 1wgw h LEU 21 Cb 0.19 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1wgw h LEU 21 CO -0.18 -0.75 1.41 -0.24 0.09 0.00 0.00 178.44 178.77 1wgw n SER 22 N -5.62 0.01 -0.07 -0.43 2.88 -0.98 0.19 113.62 109.60 1wgw n SER 22 Ca -0.16 1.01 -0.16 0.00 -1.33 0.00 0.00 58.87 58.24 1wgw n SER 22 Cb 0.49 -0.50 -0.13 0.00 -0.75 0.00 0.00 64.21 63.32 1wgw n SER 22 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1wgw h ASN 23 N 0.00 0.03 -3.34 -3.46 -1.24 -1.06 -3.46 115.58 103.05 1wgw h ASN 23 Ca 0.94 -0.92 -0.57 0.00 0.71 0.00 0.00 56.30 56.46 1wgw h ASN 23 Cb 3.76 -0.01 0.17 0.00 0.73 0.00 0.00 38.32 42.97 1wgw h ASN 23 CO -0.03 1.10 -0.17 0.00 -1.29 0.00 0.00 177.43 177.05 1wgw n ALA 24 N -2.73 -0.71 -0.02 1.57 0.00 0.49 -4.94 120.51 114.18 1wgw n ALA 24 Ca -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1wgw n ALA 24 Cb 0.53 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.03 0.19 0.30 0.00 -1.04 -1.26 -4.75 114.28 105.69 1wgw n THR 25 Ca 0.12 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 1wgw n THR 25 Cb 0.48 -0.75 -0.08 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.35 -5.08 12.58 5.03 -1.95 -3.49 117.51 124.95 1wgw h ILE 26 Ca -0.07 -0.26 0.01 0.00 -0.12 0.00 0.00 64.86 64.41 1wgw h ILE 26 Cb 1.14 0.45 -0.07 0.00 -3.03 0.00 0.00 36.82 35.30 1wgw h ILE 26 CO -0.01 0.04 -1.05 -0.38 -0.68 0.00 0.00 178.15 176.07 1wgw n ILE 27 N -5.35 -9.86 -3.75 -0.67 2.08 -1.26 -4.91 119.36 95.65 1wgw n ILE 27 Ca -0.12 2.16 -0.07 0.00 0.56 0.00 0.00 62.75 65.28 1wgw n ILE 27 Cb 0.34 -5.31 -0.01 0.00 -0.75 0.00 0.00 39.64 33.90 1wgw n ILE 27 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1wgw n ASN 28 N 1.93 -0.80 -0.30 4.38 0.23 -1.26 -4.86 115.26 114.58 1wgw n ASN 28 Ca -0.22 -1.96 0.03 0.00 -0.53 0.00 0.00 54.58 51.90 1wgw n ASN 28 Cb 0.35 1.45 0.17 0.00 -2.08 0.00 0.00 39.78 39.66 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wgw h GLU 29 N 0.00 0.83 -0.17 -3.83 4.81 -1.97 -1.78 114.58 112.48 1wgw h GLU 29 Ca -0.15 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1wgw h GLU 29 Cb 0.62 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1wgw h GLU 29 CO 0.20 0.55 -0.08 1.49 -0.73 0.00 0.00 179.01 180.44 1wgw h GLU 30 N 0.86 -0.07 0.00 1.92 4.57 -1.97 0.17 114.58 120.06 1wgw h GLU 30 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1wgw h GLU 30 Cb 0.33 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1wgw h GLU 30 CO -0.23 -0.04 0.00 0.28 -1.18 0.00 0.00 179.01 177.83 1wgw n VAL 31 N -5.23 0.00 -0.28 0.32 0.31 -0.70 0.21 118.33 112.96 1wgw n VAL 31 Ca -0.03 1.45 0.05 0.00 -0.01 0.00 0.00 64.34 65.80 1wgw n VAL 31 Cb 0.15 -2.16 0.15 0.00 -0.91 0.00 0.00 33.84 31.07 1wgw n VAL 31 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1wgw h LEU 32 N 0.00 -0.57 -0.08 7.52 6.46 -1.39 1.68 115.31 128.93 1wgw h LEU 32 Ca 0.00 0.23 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1wgw h LEU 32 Cb 0.00 0.45 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 1wgw h LEU 32 CO 0.00 -0.25 -0.15 -1.13 -0.62 0.00 0.00 178.44 176.29 1wgw h ASN 33 N 0.04 -0.47 0.88 1.25 -1.24 0.35 1.49 115.58 117.89 1wgw h ASN 33 Ca 0.43 0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.48 1wgw h ASN 33 Cb 0.74 0.21 0.01 0.00 0.73 0.00 0.00 38.32 40.01 1wgw h ASN 33 CO -0.79 -0.20 -0.42 0.00 -1.29 0.00 0.00 177.43 174.72 1wgw h ALA 34 N 0.79 -1.18 -0.86 1.57 0.00 0.72 -2.74 119.26 117.56 1wgw h ALA 34 Ca 0.08 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1wgw h ALA 34 Cb 0.32 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 1wgw h ALA 34 CO -0.20 -1.11 0.40 1.98 0.00 0.00 0.00 179.25 180.32 1wgw h MET 35 N -1.29 0.48 -0.37 0.00 1.85 0.24 -0.66 114.93 115.18 1wgw h MET 35 Ca -0.12 -0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.01 1wgw h MET 35 Cb 0.91 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 32.74 1wgw h MET 35 CO 0.20 0.32 -0.35 -0.07 -0.40 0.00 0.00 176.91 176.61 1wgw h LEU 36 N 0.50 -1.16 -0.86 3.39 3.38 0.23 0.33 115.31 121.12 1wgw h LEU 36 Ca 0.50 0.19 0.21 0.00 0.09 0.00 0.00 57.88 58.88 1wgw h LEU 36 Cb 0.85 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 42.00 1wgw h LEU 36 CO -0.45 -0.34 0.30 0.50 0.09 0.00 0.00 178.44 178.54 1wgw h LYS 37 N -0.29 0.30 0.00 1.13 3.64 -0.82 1.81 116.57 122.35 1wgw h LYS 37 Ca 0.16 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1wgw h LYS 37 Cb 0.55 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1wgw h LYS 37 CO -0.53 0.20 -0.14 0.93 -2.27 0.00 0.00 179.45 177.64 1wgw h GLU 38 N 0.31 0.00 0.00 1.90 4.39 -0.21 -1.28 114.58 119.69 1wgw h GLU 38 Ca 0.52 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.20 1wgw h GLU 38 Cb 1.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1wgw h GLU 38 CO -0.56 0.14 -0.30 0.28 -1.16 0.00 0.00 179.01 177.41 1wgw h VAL 39 N 0.00 0.32 -1.18 3.13 2.07 0.39 -3.32 116.25 117.65 1wgw h VAL 39 Ca -0.00 -1.29 0.41 0.00 0.82 0.00 0.00 66.70 66.64 1wgw h VAL 39 Cb 0.25 0.66 -0.15 0.00 -1.52 0.00 0.00 31.29 30.53 1wgw h VAL 39 CO 0.02 0.11 0.72 0.00 0.02 0.00 0.00 177.57 178.44 1wgw h THR 41 N 0.10 0.12 -0.96 0.00 2.02 -1.34 0.89 112.91 113.73 1wgw h THR 41 Ca 0.82 0.00 0.24 0.00 0.77 0.00 0.00 66.41 68.24 1wgw h THR 41 Cb 2.35 0.12 -0.18 0.00 -1.74 0.00 0.00 68.15 68.70 1wgw h THR 41 CO -0.55 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.28 1wgw h ALA 42 N -0.33 0.97 -0.24 6.16 0.00 0.10 1.86 119.26 127.78 1wgw h ALA 42 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1wgw h ALA 42 Cb 0.72 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1wgw h ALA 42 CO -0.22 -0.50 0.12 -0.07 0.00 0.00 0.00 179.25 178.58 1wgw h LEU 43 N 0.02 0.30 -1.75 0.00 -0.00 -1.11 -1.44 115.31 111.33 1wgw h LEU 43 Ca 0.54 -0.11 -0.03 0.00 -0.00 0.00 0.00 57.88 58.28 1wgw h LEU 43 Cb 1.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1wgw h LEU 43 CO -0.92 0.32 -0.13 -0.07 -0.00 0.00 0.00 178.44 177.64 1wgw h LEU 44 N 0.26 0.00 -0.36 1.67 3.38 0.37 0.17 115.31 120.81 1wgw h LEU 44 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wgw h LEU 44 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1wgw h LEU 44 CO -0.01 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1wgw n GLU 45 N -4.33 1.23 0.00 1.13 1.02 0.54 -4.21 120.64 116.02 1wgw n GLU 45 Ca -0.03 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1wgw n GLU 45 Cb 0.21 -1.32 0.00 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 -0.43 0.00 0.00 0.62 0.00 0.59 -4.93 120.51 116.37 1wgw n ALA 46 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1wgw n ALA 46 Cb 0.15 0.00 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 -1.64 0.00 -4.52 0.00 8.00 -1.12 -5.10 116.55 112.18 1wgw n ASP 47 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 1wgw n ASP 47 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wgw n VAL 48 N 0.00 0.00 -3.56 2.53 0.24 -1.24 -5.09 118.33 111.21 1wgw n VAL 48 Ca 0.00 -1.75 -0.37 0.00 -2.04 0.00 0.00 64.34 60.17 1wgw n VAL 48 Cb 0.00 -0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wgw s ASN 49 N -4.01 6.17 0.20 -1.34 2.47 -1.26 -4.93 114.94 112.24 1wgw s ASN 49 Ca 0.44 0.18 -0.21 0.00 0.42 0.00 0.00 52.86 53.69 1wgw s ASN 49 Cb -0.03 -2.15 0.12 0.00 -1.45 0.00 0.00 41.25 37.74 1wgw s ASN 49 CO 0.28 -0.02 1.48 0.00 -3.72 0.00 0.00 177.10 175.12 1wgw n ILE 50 N 4.58 -0.56 -0.24 -5.21 0.00 -1.26 0.16 119.36 116.84 1wgw n ILE 50 Ca -0.13 2.26 0.02 0.00 0.00 0.00 0.00 62.75 64.91 1wgw n ILE 50 Cb 0.52 -2.92 0.10 0.00 0.00 0.00 0.00 39.64 37.34 1wgw n ILE 50 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1wgw h LYS 51 N 0.00 0.03 -0.48 9.51 6.56 -1.99 0.47 116.57 130.66 1wgw h LYS 51 Ca 0.27 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.86 1wgw h LYS 51 Cb 0.51 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.13 1wgw h LYS 51 CO -0.93 0.02 0.31 -0.07 -2.06 0.00 0.00 179.45 176.72 1wgw h LEU 52 N 0.03 0.54 -2.22 2.94 -0.00 0.11 0.88 115.31 117.59 1wgw h LEU 52 Ca 0.35 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.24 1wgw h LEU 52 Cb 0.57 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1wgw h LEU 52 CO -0.69 0.39 0.26 0.58 -0.00 0.00 0.00 178.44 178.98 1wgw h VAL 53 N 0.64 0.09 0.00 1.22 2.07 0.39 1.52 116.25 122.19 1wgw h VAL 53 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1wgw h VAL 53 Cb -0.06 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1wgw h VAL 53 CO -0.05 0.00 -0.46 0.50 0.02 0.00 0.00 177.57 177.58 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 3.64 0.82 -3.17 116.57 119.43 1wgw h LYS 54 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1wgw h LYS 54 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1wgw h LYS 54 CO -0.00 0.10 -0.56 1.04 -2.27 0.00 0.00 179.45 177.76 1wgw n GLN 55 N -2.99 0.24 0.04 1.90 6.02 0.51 -3.89 117.38 119.21 1wgw n GLN 55 Ca 0.02 0.08 -0.02 0.00 -0.01 0.00 0.00 57.00 57.07 1wgw n GLN 55 Cb 0.59 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1wgw h LEU 56 N 0.00 -0.10 -0.95 1.08 6.46 -1.22 -2.56 115.31 118.02 1wgw h LEU 56 Ca 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 1wgw h LEU 56 Cb 0.71 0.03 -0.13 0.00 -0.73 0.00 0.00 40.66 40.54 1wgw h LEU 56 CO 0.00 0.05 -0.50 -2.11 -0.62 0.00 0.00 178.44 175.25 1wgw n ARG 57 N -3.00 -0.36 -0.12 1.25 1.85 -1.24 0.42 116.66 115.46 1wgw n ARG 57 Ca -0.02 1.44 -0.05 0.00 -1.00 0.00 0.00 57.85 58.22 1wgw n ARG 57 Cb 0.05 -2.12 0.01 0.00 -1.05 0.00 0.00 32.46 29.35 1wgw n ARG 57 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1wgw h GLU 58 N 0.00 -0.10 -0.48 2.89 -0.00 -1.70 1.53 114.58 116.71 1wgw h GLU 58 Ca 0.20 0.01 0.10 0.00 -0.00 0.00 0.00 59.36 59.67 1wgw h GLU 58 Cb 0.44 0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.19 1wgw h GLU 58 CO -0.91 -0.07 0.33 -0.91 -0.00 0.00 0.00 179.01 177.46 1wgw h ASN 59 N -0.11 0.19 0.08 3.06 2.35 0.41 0.49 115.58 122.06 1wgw h ASN 59 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1wgw h ASN 59 Cb 0.42 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1wgw h ASN 59 CO -0.48 0.11 -0.04 0.58 -1.65 0.00 0.00 177.43 175.95 1wgw h VAL 60 N 0.21 0.49 -0.68 2.81 2.07 0.44 -3.02 116.25 118.57 1wgw h VAL 60 Ca 0.23 -1.23 0.20 0.00 0.82 0.00 0.00 66.70 66.71 1wgw h VAL 60 Cb 0.62 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1wgw h VAL 60 CO -0.04 0.15 0.55 0.11 0.02 0.00 0.00 177.57 178.37 1wgw h LYS 61 N -1.00 0.00 0.00 1.57 1.57 0.24 1.39 116.57 120.34 1wgw h LYS 61 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1wgw h LYS 61 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1wgw h LYS 61 CO 0.02 0.00 -0.43 0.77 -0.57 0.00 0.00 179.45 179.24 1wgw h SER 62 N 0.00 0.00 1.33 0.86 0.02 -0.05 -2.25 113.55 113.45 1wgw h SER 62 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1wgw h SER 62 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1wgw h SER 62 CO -0.00 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 176.12 1wgw h ALA 63 N 1.57 1.00 -3.00 3.77 0.00 0.20 -3.44 119.26 119.36 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 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1wgw h ALA 63 CO 0.06 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.42 1wgw n ILE 64 N -2.67 0.00 0.00 0.00 2.08 -0.85 -5.06 119.36 112.86 1wgw n ILE 64 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 1wgw n ILE 64 Cb 0.38 -0.50 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1wgw n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wgw n ASP 65 N 0.00 0.00 0.23 4.38 2.03 -1.26 -4.99 116.55 116.94 1wgw n ASP 65 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1wgw n ASP 65 Cb 0.00 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 40.98 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wgw h LEU 66 N 0.00 0.00 -1.53 -2.67 4.07 -1.99 -2.79 115.31 110.40 1wgw h LEU 66 Ca 0.00 0.00 0.49 0.00 0.08 0.00 0.00 57.88 58.45 1wgw h LEU 66 Cb 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 41.63 1wgw h LEU 66 CO 0.00 0.19 1.05 -1.84 -1.08 0.00 0.00 178.44 176.76 1wgw n GLU 67 N -3.92 -0.02 -2.96 1.13 0.28 -1.26 -2.61 120.64 111.29 1wgw n GLU 67 Ca -0.02 1.10 -0.12 0.00 -0.16 0.00 0.00 57.16 57.96 1wgw n GLU 67 Cb 0.28 -2.32 -0.02 0.00 1.43 0.00 0.00 31.44 30.81 1wgw n GLU 67 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wgw n GLU 68 N -4.23 0.46 -0.01 3.44 1.02 -1.05 -4.95 120.64 115.31 1wgw n GLU 68 Ca 0.39 -2.39 0.02 0.00 -0.02 0.00 0.00 57.16 55.17 1wgw n GLU 68 Cb 1.65 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 31.49 1wgw n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgw n MET 69 N 2.76 0.82 -4.12 3.49 0.00 -1.07 -5.01 117.12 114.00 1wgw n MET 69 Ca 0.21 -0.05 -0.46 0.00 0.00 0.00 0.00 57.70 57.40 1wgw n MET 69 Cb 0.54 -1.17 0.01 0.00 0.00 0.00 0.00 33.22 32.60 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wgw n ALA 70 N -1.86 -2.55 -1.12 3.17 0.00 -1.26 -4.46 120.51 112.44 1wgw n ALA 70 Ca -0.03 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 52.95 1wgw n ALA 70 Cb 0.30 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.33 1wgw n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgw n SER 71 N -2.22 -6.67 0.00 0.00 7.64 -1.26 -5.06 113.62 106.05 1wgw n SER 71 Ca -0.13 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1wgw n SER 71 Cb 0.58 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 72 N -2.65 4.72 0.10 0.23 0.00 -1.26 -4.86 105.19 101.47 1wgw n GLY 72 Ca 0.01 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.09 1wgw n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wgw n LEU 73 N 0.00 0.80 -0.04 0.99 4.32 -1.26 -3.69 117.00 118.12 1wgw n LEU 73 Ca 0.00 0.49 -0.12 0.00 -0.02 0.00 0.00 56.01 56.36 1wgw n LEU 73 Cb 0.00 -0.28 -0.10 0.00 -1.62 0.00 0.00 43.42 41.42 1wgw n LEU 73 CO 0.00 -0.15 0.37 0.78 -1.22 0.00 0.00 177.39 177.17 1wgw h ASN 74 N 0.00 -0.03 -0.99 -1.43 2.35 -1.98 -2.87 115.58 110.63 1wgw h ASN 74 Ca 0.00 -0.70 0.13 0.00 -0.55 0.00 0.00 56.30 55.17 1wgw h ASN 74 Cb 0.74 0.01 -0.14 0.00 0.05 0.00 0.00 38.32 38.98 1wgw h ASN 74 CO 0.00 0.77 -0.47 0.29 -1.65 0.00 0.00 177.43 176.38 1wgw n LYS 75 N -4.71 -0.31 -0.32 0.81 4.01 -1.24 0.18 118.16 116.58 1wgw n LYS 75 Ca -0.08 1.52 0.01 0.00 -0.51 0.00 0.00 58.31 59.25 1wgw n LYS 75 Cb 0.35 -2.24 0.19 0.00 -0.51 0.00 0.00 35.03 32.83 1wgw n LYS 75 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wgw h ARG 76 N 0.00 1.11 0.00 1.97 -0.00 -1.68 0.28 114.38 116.07 1wgw h ARG 76 Ca 0.27 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 1wgw h ARG 76 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 29.97 30.24 1wgw h ARG 76 CO -0.96 0.74 0.00 1.63 0.00 0.00 0.00 179.97 181.37 1wgw n LYS 77 N -4.45 0.00 -0.04 0.04 4.76 0.49 -1.15 118.16 117.82 1wgw n LYS 77 Ca 0.12 0.48 0.24 0.00 -2.87 0.00 0.00 58.31 56.29 1wgw n LYS 77 Cb 0.11 -1.39 0.69 0.00 -1.84 0.00 0.00 35.03 32.59 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgw h MET 78 N 0.00 0.00 -0.05 1.97 -0.00 0.62 1.44 114.93 118.92 1wgw h MET 78 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 1wgw h MET 78 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1wgw h MET 78 CO 0.00 0.00 -0.65 0.82 -0.00 0.00 0.00 176.91 177.08 1wgw h ILE 79 N 0.00 1.42 -0.27 -0.10 2.04 -0.23 0.92 117.51 121.28 1wgw h ILE 79 Ca 0.32 -2.12 -0.13 0.00 1.00 0.00 0.00 64.86 63.92 1wgw h ILE 79 Cb 1.65 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1wgw h ILE 79 CO -0.00 0.62 -0.39 1.56 0.00 0.00 0.00 178.15 179.94 1wgw h GLN 80 N 0.13 0.63 0.12 2.37 4.20 0.35 -2.99 115.11 119.94 1wgw h GLN 80 Ca -0.01 -0.32 -0.27 0.00 0.06 0.00 0.00 58.65 58.12 1wgw h GLN 80 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1wgw h GLN 80 CO 0.10 0.91 -1.33 1.25 -0.67 0.00 0.00 178.83 179.09 1wgw h HIS 81 N 0.52 0.47 -0.58 2.96 2.76 -1.29 -3.31 115.15 116.69 1wgw h HIS 81 Ca 0.05 -0.35 0.05 0.00 -2.20 0.00 0.00 60.37 57.92 1wgw h HIS 81 Cb 0.90 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.77 1wgw h HIS 81 CO 0.04 1.52 -0.36 0.00 -1.30 0.00 0.00 177.93 177.83 1wgw h ALA 82 N -0.02 -0.35 -0.27 5.26 0.00 0.85 0.94 119.26 125.66 1wgw h ALA 82 Ca -0.28 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1wgw h ALA 82 Cb 1.76 1.21 -0.05 0.00 0.00 0.00 0.00 17.79 20.71 1wgw h ALA 82 CO 0.08 -0.60 -0.34 0.28 0.00 0.00 0.00 179.25 178.67 1wgw h VAL 83 N -0.02 0.00 -0.91 0.00 2.07 -1.70 0.16 116.25 115.86 1wgw h VAL 83 Ca 0.09 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.87 1wgw h VAL 83 Cb 0.26 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.88 1wgw h VAL 83 CO -0.56 0.00 0.30 -0.26 0.02 0.00 0.00 177.57 177.08 1wgw h PHE 84 N -0.23 0.47 -0.50 1.57 0.04 -1.20 0.34 116.94 117.43 1wgw h PHE 84 Ca 0.05 0.05 0.10 0.00 2.80 0.00 0.00 57.97 60.97 1wgw h PHE 84 Cb 0.35 -0.06 -0.10 0.00 2.20 0.00 0.00 35.95 38.34 1wgw h PHE 84 CO -0.70 -0.20 -0.19 -0.22 -0.60 0.00 0.00 178.31 176.40 1wgw h LYS 85 N 0.23 -0.08 -0.65 1.51 1.63 0.37 0.11 116.57 119.69 1wgw h LYS 85 Ca 0.59 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.39 1wgw h LYS 85 Cb 1.23 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1wgw h LYS 85 CO -0.65 -0.05 0.39 0.93 -3.45 0.00 0.00 179.45 176.63 1wgw h GLU 86 N -0.08 0.89 -0.28 1.90 3.07 0.36 -0.43 114.58 120.01 1wgw h GLU 86 Ca 0.24 -0.08 0.08 0.00 -0.50 0.00 0.00 59.36 59.10 1wgw h GLU 86 Cb 0.45 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1wgw h GLU 86 CO -0.56 0.64 0.51 -0.07 -1.40 0.00 0.00 179.01 178.13 1wgw h LEU 87 N 0.89 0.00 0.01 1.33 3.38 0.23 0.23 115.31 121.39 1wgw h LEU 87 Ca 0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1wgw h LEU 87 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1wgw h LEU 87 CO -0.04 0.00 -0.51 0.58 0.09 0.00 0.00 178.44 178.56 1wgw h VAL 88 N 0.00 1.46 0.00 1.22 2.07 -0.31 -3.36 116.25 117.33 1wgw h VAL 88 Ca 0.13 -2.30 -0.46 0.00 0.82 0.00 0.00 66.70 64.89 1wgw h VAL 88 Cb 1.16 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1wgw h VAL 88 CO -0.00 0.52 2.15 0.29 0.02 0.00 0.00 177.57 180.55 1wgw n LYS 89 N -4.50 2.90 0.00 1.57 5.02 0.81 -3.93 118.16 120.02 1wgw n LYS 89 Ca -0.18 -1.67 0.00 0.00 -2.02 0.00 0.00 58.31 54.44 1wgw n LYS 89 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1wgw n LYS 89 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wgw n VAL 90 N 3.21 0.00 -3.83 -0.18 0.31 -1.17 -4.94 118.33 111.73 1wgw n VAL 90 Ca 0.62 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.88 1wgw n VAL 90 Cb 0.47 -0.19 0.02 0.00 -0.91 0.00 0.00 33.84 33.23 1wgw n VAL 90 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wgw s LYS 91 N -0.57 1.91 -0.18 5.55 2.36 -1.25 -5.15 119.74 122.40 1wgw s LYS 91 Ca 0.00 -1.21 -0.03 0.00 -2.55 0.00 0.00 55.97 52.18 1wgw s LYS 91 Cb 0.00 0.55 -0.02 0.00 -1.05 0.00 0.00 37.83 37.31 1wgw s LYS 91 CO 0.00 -0.89 -0.05 0.54 1.55 0.00 0.00 175.35 176.50 1wgw s VAL 92 N -2.47 3.58 1.02 4.02 0.11 -1.26 -4.89 120.40 120.52 1wgw s VAL 92 Ca 0.16 -0.45 -0.14 0.00 -2.93 0.00 0.00 61.98 58.62 1wgw s VAL 92 Cb -0.04 -2.59 0.22 0.00 -1.53 0.00 0.00 36.38 32.44 1wgw s VAL 92 CO 0.09 0.46 0.50 0.00 -3.33 0.00 0.00 175.10 172.82 1wgw n TYR 93 N 4.13 -2.75 -3.72 1.54 4.11 -1.26 -4.99 117.16 114.22 1wgw n TYR 93 Ca -0.18 -0.26 -0.30 0.00 -0.00 0.00 0.00 57.90 57.17 1wgw n TYR 93 Cb 0.52 -1.17 -0.13 0.00 -0.00 0.00 0.00 39.34 38.55 1wgw n TYR 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1wgw s SER 94 N -2.28 3.74 0.07 9.48 1.04 -1.26 -5.10 113.70 119.40 1wgw s SER 94 Ca 0.39 -2.44 -0.07 0.00 0.48 0.00 0.00 55.95 54.32 1wgw s SER 94 Cb -0.07 -1.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.02 1wgw s SER 94 CO 0.33 -0.30 0.13 -0.83 0.98 0.00 0.00 173.24 173.55 1wgw s GLY 95 N 0.60 0.17 -0.49 7.32 0.00 -1.26 -5.11 107.32 108.55 1wgw s GLY 95 Ca 0.16 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 43.89 1wgw s GLY 95 CO -0.04 -0.87 1.46 2.56 0.00 0.00 0.00 173.10 176.21 1wgw s PRO 96 N -3.64 3.38 0.54 2.90 0.04 -1.26 -4.73 135.00 132.22 1wgw s PRO 96 Ca 0.04 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1wgw s PRO 96 Cb 0.04 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1wgw s PRO 96 CO -0.10 -1.83 0.00 0.45 0.04 0.00 0.00 177.00 175.57 1wgw n SER 97 N 9.49 -7.86 -0.20 6.66 2.88 -1.26 -4.57 113.62 118.77 1wgw n SER 97 Ca 0.15 1.63 -0.10 0.00 -1.33 0.00 0.00 58.87 59.22 1wgw n SER 97 Cb 0.49 -4.58 -0.06 0.00 -0.75 0.00 0.00 64.21 59.31 1wgw n SER 97 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wgw h SER 98 N 0.41 -1.64 -0.01 -3.46 4.64 -2.05 -3.53 113.55 107.91 1wgw h SER 98 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1wgw h SER 98 Cb 0.73 0.72 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1wgw h SER 98 CO 0.00 -0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.22