#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgw n SER 2 N 0.00 -6.53 0.00 1.61 2.88 -1.26 -5.00 113.62 105.32 1wgw n SER 2 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1wgw n SER 2 Cb 0.00 -3.01 0.00 0.00 -0.75 0.00 0.00 64.21 60.45 1wgw n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgw n SER 3 N 0.02 0.00 -4.05 -3.46 2.88 -1.26 -5.16 113.62 102.60 1wgw n SER 3 Ca -0.01 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.16 1wgw n SER 3 Cb 0.55 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.06 1wgw n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 4 N -0.17 -3.75 0.00 0.46 0.00 -1.26 -4.99 105.19 95.48 1wgw n GLY 4 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 2.81 0.00 -4.58 1.61 2.88 -1.26 -5.07 113.62 110.01 1wgw n SER 5 Ca -0.01 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.25 1wgw n SER 5 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1wgw n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgw s SER 6 N 0.00 5.10 -0.73 -3.46 0.15 -1.26 -4.25 113.70 109.25 1wgw s SER 6 Ca 0.00 -1.47 -0.08 0.00 0.70 0.00 0.00 55.95 55.10 1wgw s SER 6 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1wgw s SER 6 CO 0.00 -2.95 0.60 0.61 1.20 0.00 0.00 173.24 172.69 1wgw n GLY 7 N 6.03 -0.97 0.10 9.45 0.00 -1.26 -4.43 105.19 114.10 1wgw n GLY 7 Ca 0.44 0.71 -0.03 0.00 0.00 0.00 0.00 46.02 47.14 1wgw n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgw h ALA 8 N 1.45 -0.34 -0.10 4.61 0.00 -1.99 0.46 119.26 123.35 1wgw h ALA 8 Ca -0.62 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 1wgw h ALA 8 Cb 1.37 0.86 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1wgw h ALA 8 CO 0.33 -0.41 -0.20 -0.44 0.00 0.00 0.00 179.25 178.54 1wgw h ASP 9 N -0.07 0.35 0.00 0.00 5.19 -1.97 -2.74 116.42 117.18 1wgw h ASP 9 Ca 0.02 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1wgw h ASP 9 Cb 0.12 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1wgw h ASP 9 CO -0.14 0.84 0.00 0.18 -3.12 0.00 0.00 179.24 177.00 1wgw n LEU 10 N -4.53 0.00 -0.44 1.55 7.99 -1.03 0.17 117.00 120.71 1wgw n LEU 10 Ca -0.07 0.48 0.41 0.00 -0.01 0.00 0.00 56.01 56.82 1wgw n LEU 10 Cb 0.41 0.00 0.76 0.00 -0.11 0.00 0.00 43.42 44.48 1wgw n LEU 10 CO 0.40 0.00 1.38 1.23 -1.51 0.00 0.00 177.39 178.88 1wgw h GLY 11 N 0.00 0.00 1.17 -0.72 0.00 -0.23 1.42 103.07 104.71 1wgw h GLY 11 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1wgw h GLY 11 CO 0.00 0.00 -0.38 3.21 0.00 0.00 0.00 176.54 179.37 1wgw h ARG 12 N 0.00 0.91 0.15 4.80 2.47 -0.10 1.09 114.38 123.71 1wgw h ARG 12 Ca 0.69 -0.47 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1wgw h ARG 12 Cb 2.81 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 31.15 1wgw h ARG 12 CO -0.01 1.12 -0.07 0.87 0.56 0.00 0.00 179.97 182.44 1wgw h LYS 13 N 0.74 -0.20 -0.35 0.04 1.57 1.23 -2.83 116.57 116.77 1wgw h LYS 13 Ca 0.06 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1wgw h LYS 13 Cb 0.97 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1wgw h LYS 13 CO 0.09 0.03 -0.16 0.82 -0.57 0.00 0.00 179.45 179.66 1wgw h ILE 14 N -0.41 1.29 -0.94 1.86 2.04 -1.35 -2.96 117.51 117.04 1wgw h ILE 14 Ca -0.02 -1.27 0.14 0.00 1.00 0.00 0.00 64.86 64.71 1wgw h ILE 14 Cb 0.32 1.37 -0.15 0.00 -0.74 0.00 0.00 36.82 37.62 1wgw h ILE 14 CO 0.03 0.42 -0.38 0.41 0.00 0.00 0.00 178.15 178.63 1wgw n THR 15 N -4.33 -0.50 -0.16 -0.27 -1.04 0.38 0.10 114.28 108.46 1wgw n THR 15 Ca -0.02 2.21 -0.08 0.00 -2.04 0.00 0.00 64.05 64.11 1wgw n THR 15 Cb 0.39 -2.91 0.00 0.00 -1.82 0.00 0.00 70.33 66.00 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 0.61 0.00 8.00 0.87 -1.47 -1.53 113.55 120.03 1wgw h SER 16 Ca 0.32 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1wgw h SER 16 Cb 0.55 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1wgw h SER 16 CO -0.93 0.58 0.00 0.00 -0.53 0.00 0.00 176.83 175.95 1wgw n ALA 17 N -2.30 -0.16 -0.01 6.23 0.00 0.29 0.10 120.51 124.65 1wgw n ALA 17 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.69 1wgw n ALA 17 Cb 0.13 0.28 0.68 0.00 0.00 0.00 0.00 19.45 20.53 1wgw n ALA 17 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgw h LEU 18 N 0.00 0.00 -0.38 0.00 3.38 -0.97 0.65 115.31 117.99 1wgw h LEU 18 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1wgw h LEU 18 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wgw h LEU 18 CO 0.00 0.00 0.02 -0.09 0.09 0.00 0.00 178.44 178.46 1wgw h ARG 19 N 0.00 0.65 -0.96 1.13 2.43 0.74 -2.80 114.38 115.58 1wgw h ARG 19 Ca 0.29 -0.20 0.29 0.00 -0.81 0.00 0.00 59.98 59.56 1wgw h ARG 19 Cb 1.60 -0.06 -0.15 0.00 -0.42 0.00 0.00 29.97 30.94 1wgw h ARG 19 CO -0.00 0.74 0.44 1.03 -1.51 0.00 0.00 179.97 180.66 1wgw h SER 20 N 0.48 0.31 0.62 -3.80 0.87 0.38 0.22 113.55 112.63 1wgw h SER 20 Ca 0.11 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1wgw h SER 20 Cb 0.43 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1wgw h SER 20 CO 0.01 -0.15 -0.30 -0.07 -0.53 0.00 0.00 176.83 175.80 1wgw h LEU 21 N 0.28 -0.70 -1.76 2.23 3.38 -1.53 0.54 115.31 117.74 1wgw h LEU 21 Ca 0.67 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.73 1wgw h LEU 21 Cb 1.47 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1wgw h LEU 21 CO -0.63 -0.42 0.55 -1.28 0.09 0.00 0.00 178.44 176.75 1wgw h SER 22 N -0.96 0.00 -1.05 -0.43 0.87 -0.58 0.50 113.55 111.90 1wgw h SER 22 Ca -0.08 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.93 1wgw h SER 22 Cb 0.68 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 62.21 1wgw h SER 22 CO 0.14 0.00 -0.81 0.59 -0.53 0.00 0.00 176.83 176.22 1wgw n ASN 23 N -3.39 4.58 -4.68 6.23 3.02 0.18 -5.04 115.26 116.16 1wgw n ASN 23 Ca 0.07 -3.63 -0.23 0.00 -0.03 0.00 0.00 54.58 50.75 1wgw n ASN 23 Cb 0.70 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgw s ALA 24 N -3.57 3.24 -0.02 5.41 0.00 0.17 -4.87 121.76 122.12 1wgw s ALA 24 Ca 0.48 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1wgw s ALA 24 Cb 0.40 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1wgw s ALA 24 CO -0.05 0.30 -0.02 2.41 0.00 0.00 0.00 175.76 178.40 1wgw n THR 25 N -0.79 0.13 0.00 0.00 -1.04 -1.26 -4.86 114.28 106.47 1wgw n THR 25 Ca -0.07 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1wgw n THR 25 Cb 0.58 -0.65 -0.00 0.00 -1.82 0.00 0.00 70.33 68.44 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 -4.71 12.58 1.08 -1.97 -3.50 117.51 120.99 1wgw h ILE 26 Ca -0.05 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.39 1wgw h ILE 26 Cb 1.09 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 1wgw h ILE 26 CO -0.01 0.00 -1.21 -0.38 -0.69 0.00 0.00 178.15 175.86 1wgw n ILE 27 N -2.13-11.17 -3.82 -0.67 2.08 -1.26 -5.08 119.36 97.31 1wgw n ILE 27 Ca -0.00 2.14 -0.05 0.00 0.56 0.00 0.00 62.75 65.40 1wgw n ILE 27 Cb 0.00 -6.22 0.00 0.00 -0.75 0.00 0.00 39.64 32.68 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 -0.81 -0.09 0.44 4.38 2.20 -1.26 -4.97 114.94 114.83 1wgw s ASN 28 Ca -0.17 -0.66 0.35 0.00 -0.94 0.00 0.00 52.86 51.44 1wgw s ASN 28 Cb 0.01 0.58 1.45 0.00 -2.00 0.00 0.00 41.25 41.29 1wgw s ASN 28 CO 0.67 -1.12 1.44 1.21 -2.94 0.00 0.00 177.10 176.36 1wgw n GLU 29 N -0.56 -0.02 0.20 3.55 2.13 -1.26 0.01 120.64 124.68 1wgw n GLU 29 Ca -0.05 1.10 -0.08 0.00 0.66 0.00 0.00 57.16 58.79 1wgw n GLU 29 Cb 0.60 -2.28 -0.04 0.00 0.27 0.00 0.00 31.44 29.99 1wgw n GLU 29 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1wgw h GLU 30 N 0.00 -0.48 -1.00 5.31 4.57 -1.97 0.27 114.58 121.28 1wgw h GLU 30 Ca 0.83 0.03 0.17 0.00 -1.18 0.00 0.00 59.36 59.21 1wgw h GLU 30 Cb 2.91 0.11 -0.17 0.00 -0.16 0.00 0.00 28.75 31.44 1wgw h GLU 30 CO -0.29 -0.32 -0.35 0.28 -1.18 0.00 0.00 179.01 177.15 1wgw h VAL 31 N -0.53 0.00 -0.62 0.32 2.07 -0.79 1.82 116.25 118.52 1wgw h VAL 31 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1wgw h VAL 31 Cb 0.39 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 1wgw h VAL 31 CO 0.08 0.00 0.36 0.25 0.02 0.00 0.00 177.57 178.28 1wgw h LEU 32 N -0.00 0.55 0.70 2.57 6.46 -1.36 1.43 115.31 125.66 1wgw h LEU 32 Ca 0.38 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.13 1wgw h LEU 32 Cb 0.63 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.48 1wgw h LEU 32 CO -1.00 0.37 -0.34 0.78 -0.62 0.00 0.00 178.44 177.64 1wgw h ASN 33 N 0.68 -0.80 0.52 1.25 2.35 0.58 0.29 115.58 120.46 1wgw h ASN 33 Ca 0.27 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1wgw h ASN 33 Cb 0.11 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1wgw h ASN 33 CO -0.14 -0.50 -0.39 0.00 -1.65 0.00 0.00 177.43 174.75 1wgw h ALA 34 N -0.83 -1.14 -0.77 -0.83 0.00 0.23 -2.66 119.26 113.26 1wgw h ALA 34 Ca -0.10 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.80 1wgw h ALA 34 Cb 0.75 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1wgw h ALA 34 CO 0.16 -1.13 -0.11 1.98 0.00 0.00 0.00 179.25 180.15 1wgw h MET 35 N -0.88 0.04 -0.78 0.00 1.85 0.19 0.10 114.93 115.45 1wgw h MET 35 Ca -0.07 -0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.14 1wgw h MET 35 Cb 0.73 -0.01 -0.13 0.00 0.43 0.00 0.00 31.60 32.62 1wgw h MET 35 CO 0.02 0.02 -0.39 -0.07 -0.40 0.00 0.00 176.91 176.09 1wgw h LEU 36 N 0.04 -1.41 -0.36 3.39 3.38 -0.08 0.35 115.31 120.62 1wgw h LEU 36 Ca 0.39 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.71 1wgw h LEU 36 Cb 0.65 0.70 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 1wgw h LEU 36 CO -0.75 -0.30 -0.35 0.50 0.09 0.00 0.00 178.44 177.64 1wgw h LYS 37 N -0.10 -0.28 -0.97 1.13 3.11 -0.48 1.64 116.57 120.61 1wgw h LYS 37 Ca 0.26 0.02 0.21 0.00 -2.81 0.00 0.00 60.65 58.33 1wgw h LYS 37 Cb 0.56 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.77 1wgw h LYS 37 CO -0.82 -0.19 0.62 0.93 -2.81 0.00 0.00 179.45 177.18 1wgw h GLU 38 N -0.29 0.54 0.09 1.90 4.39 -0.14 0.67 114.58 121.73 1wgw h GLU 38 Ca 0.15 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1wgw h GLU 38 Cb 0.55 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1wgw h GLU 38 CO -0.52 0.36 -0.04 0.28 -1.16 0.00 0.00 179.01 177.93 1wgw h VAL 39 N 0.55 0.00 -1.34 3.13 2.07 0.24 -3.12 116.25 117.79 1wgw h VAL 39 Ca 0.54 -0.40 0.45 0.00 0.82 0.00 0.00 66.70 68.11 1wgw h VAL 39 Cb 1.13 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.76 1wgw h VAL 39 CO -0.28 0.00 0.86 0.00 0.02 0.00 0.00 177.57 178.17 1wgw h THR 41 N 0.06 0.43 -0.76 0.00 2.02 0.30 0.15 112.91 115.11 1wgw h THR 41 Ca 0.84 0.00 0.17 0.00 0.77 0.00 0.00 66.41 68.19 1wgw h THR 41 Cb 2.64 0.43 -0.14 0.00 -1.74 0.00 0.00 68.15 69.35 1wgw h THR 41 CO -0.44 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.42 1wgw h ALA 42 N 0.15 0.74 0.24 6.16 0.00 0.10 1.55 119.26 128.20 1wgw h ALA 42 Ca 0.01 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1wgw h ALA 42 Cb 0.51 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wgw h ALA 42 CO -0.10 -0.43 -0.11 -0.07 0.00 0.00 0.00 179.25 178.54 1wgw h LEU 43 N 0.08 -0.27 -1.21 0.00 -0.00 -1.11 -0.61 115.31 112.19 1wgw h LEU 43 Ca 0.41 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 58.36 1wgw h LEU 43 Cb 0.71 0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.38 1wgw h LEU 43 CO -0.69 -0.16 0.57 -0.07 -0.00 0.00 0.00 178.44 178.08 1wgw h LEU 44 N -0.35 0.81 0.00 1.67 3.38 0.22 0.75 115.31 121.79 1wgw h LEU 44 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wgw h LEU 44 Cb 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wgw h LEU 44 CO 0.05 0.50 0.00 -0.62 0.09 0.00 0.00 178.44 178.46 1wgw n GLU 45 N -4.51 0.87 0.00 1.13 1.02 0.50 -3.92 120.64 115.72 1wgw n GLU 45 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1wgw n GLU 45 Cb 0.27 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.95 0.00 0.00 0.62 0.00 0.25 -5.02 120.51 115.42 1wgw n ALA 46 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgw n ALA 46 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.24 0.00 -4.02 0.00 8.00 -0.64 -5.10 116.55 112.56 1wgw n ASP 47 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 1wgw n ASP 47 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1wgw n ASP 47 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wgw s VAL 48 N 0.00 0.11 0.56 2.53 0.11 -1.25 -5.04 120.40 117.42 1wgw s VAL 48 Ca 0.00 -1.58 -0.14 0.00 -2.93 0.00 0.00 61.98 57.32 1wgw s VAL 48 Cb 0.00 -1.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.01 1wgw s VAL 48 CO 0.00 -0.52 1.00 0.21 -3.33 0.00 0.00 175.10 172.47 1wgw s ASN 49 N -2.97 6.46 -0.03 3.54 2.47 -1.26 -4.78 114.94 118.37 1wgw s ASN 49 Ca 0.16 1.52 -0.12 0.00 0.42 0.00 0.00 52.86 54.83 1wgw s ASN 49 Cb 0.06 -2.49 -0.32 0.00 -1.45 0.00 0.00 41.25 37.04 1wgw s ASN 49 CO -0.03 -0.70 0.75 -0.29 -3.72 0.00 0.00 177.10 173.11 1wgw h ILE 50 N 0.44 1.02 -0.72 -5.21 6.09 -2.00 -0.66 117.51 116.49 1wgw h ILE 50 Ca -0.46 -2.56 0.01 0.00 -1.37 0.00 0.00 64.86 60.48 1wgw h ILE 50 Cb 1.19 2.84 -0.04 0.00 0.47 0.00 0.00 36.82 41.28 1wgw h ILE 50 CO 0.62 0.85 0.47 0.11 -3.07 0.00 0.00 178.15 177.13 1wgw h LYS 51 N 0.12 0.94 0.10 2.19 1.79 -1.99 0.45 116.57 120.16 1wgw h LYS 51 Ca -0.32 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 57.95 1wgw h LYS 51 Cb 2.12 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 32.57 1wgw h LYS 51 CO 0.20 0.62 -0.63 1.25 -1.08 0.00 0.00 179.45 179.82 1wgw h LEU 52 N 0.97 0.32 -2.12 2.94 5.85 -1.97 -3.20 115.31 118.09 1wgw h LEU 52 Ca 0.26 -0.95 0.03 0.00 0.84 0.00 0.00 57.88 58.06 1wgw h LEU 52 Cb -0.11 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1wgw h LEU 52 CO -0.06 1.30 0.31 0.58 -0.34 0.00 0.00 178.44 180.23 1wgw h VAL 53 N -0.56 0.14 0.00 1.05 2.07 -0.75 1.44 116.25 119.64 1wgw h VAL 53 Ca -0.12 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1wgw h VAL 53 Cb 1.46 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1wgw h VAL 53 CO 0.09 0.00 -0.52 0.50 0.02 0.00 0.00 177.57 177.67 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 3.11 -0.91 -3.08 116.57 117.26 1wgw h LYS 54 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1wgw h LYS 54 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1wgw h LYS 54 CO -0.00 0.45 -0.46 0.00 -2.81 0.00 0.00 179.45 176.63 1wgw n GLN 55 N -3.19 0.15 -0.04 1.90 10.64 0.48 -3.80 117.38 123.53 1wgw n GLN 55 Ca 0.02 0.05 -0.07 0.00 -1.83 0.00 0.00 57.00 55.17 1wgw n GLN 55 Cb 0.73 -1.61 -0.06 0.00 -0.86 0.00 0.00 30.24 28.44 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 -0.04 -0.58 2.61 6.46 -1.11 -2.88 115.31 119.76 1wgw h LEU 56 Ca 0.00 -0.40 0.11 0.00 -0.12 0.00 0.00 57.88 57.47 1wgw h LEU 56 Cb 0.63 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.45 1wgw h LEU 56 CO 0.00 0.64 -0.32 0.08 -0.62 0.00 0.00 178.44 178.23 1wgw h ARG 57 N -0.99 -0.15 -0.48 1.25 0.11 -1.68 0.51 114.38 112.95 1wgw h ARG 57 Ca -0.00 0.01 0.07 0.00 0.10 0.00 0.00 59.98 60.16 1wgw h ARG 57 Cb 0.44 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 31.49 1wgw h ARG 57 CO 0.01 -0.10 0.12 1.05 0.10 0.00 0.00 179.97 181.15 1wgw h GLU 58 N -0.15 0.26 0.00 0.08 4.11 -1.70 1.27 114.58 118.45 1wgw h GLU 58 Ca 0.24 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.65 1wgw h GLU 58 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wgw h GLU 58 CO -0.67 0.17 -0.02 -0.91 0.07 0.00 0.00 179.01 177.66 1wgw h ASN 59 N 0.27 0.00 0.13 3.06 2.35 -0.52 -0.17 115.58 120.69 1wgw h ASN 59 Ca 0.23 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.68 1wgw h ASN 59 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1wgw h ASN 59 CO -0.28 0.02 -1.59 0.58 -1.65 0.00 0.00 177.43 174.51 1wgw h VAL 60 N 0.00 0.92 0.00 2.81 2.07 0.44 -3.28 116.25 119.21 1wgw h VAL 60 Ca -0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 1wgw h VAL 60 Cb 0.21 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1wgw h VAL 60 CO 0.00 0.75 -0.03 0.11 0.02 0.00 0.00 177.57 178.42 1wgw h LYS 61 N -0.18 0.00 -0.02 1.57 1.57 0.21 -0.71 116.57 119.01 1wgw h LYS 61 Ca -0.34 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 1wgw h LYS 61 Cb 1.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.15 1wgw h LYS 61 CO 0.07 0.03 -0.73 1.03 -0.57 0.00 0.00 179.45 179.29 1wgw h SER 62 N 0.00 0.15 0.72 0.86 0.87 -1.14 -2.63 113.55 112.38 1wgw h SER 62 Ca -0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1wgw h SER 62 Cb 0.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1wgw h SER 62 CO 0.00 0.82 0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1wgw n ALA 63 N -2.44 1.68 -2.14 6.23 0.00 -0.28 -4.70 120.51 118.86 1wgw n ALA 63 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1wgw n ALA 63 Cb 0.71 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1wgw n ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wgw n ILE 64 N -2.13 0.00 0.00 0.00 2.08 -0.99 -5.02 119.36 113.29 1wgw n ILE 64 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1wgw n ILE 64 Cb 0.23 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 0.19 4.38 -0.08 -1.26 -5.01 116.55 114.76 1wgw n ASP 65 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1wgw n ASP 65 Cb 0.00 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.57 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wgw h LEU 66 N 0.00 0.00 -0.65 -2.67 3.38 -1.98 -3.28 115.31 110.11 1wgw h LEU 66 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1wgw h LEU 66 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1wgw h LEU 66 CO 0.00 0.16 0.25 1.05 0.09 0.00 0.00 178.44 179.98 1wgw h GLU 67 N 0.00 0.41 -2.88 1.13 4.11 -1.99 -3.33 114.58 112.04 1wgw h GLU 67 Ca -0.00 -0.02 -0.60 0.00 0.07 0.00 0.00 59.36 58.80 1wgw h GLU 67 Cb 1.12 -0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.88 1wgw h GLU 67 CO 0.02 0.27 -0.77 -1.21 0.07 0.00 0.00 179.01 177.39 1wgw s GLU 68 N -6.07 1.00 -0.31 1.06 2.02 -1.24 -5.05 118.70 110.12 1wgw s GLU 68 Ca -0.13 -1.72 -0.02 0.00 0.02 0.00 0.00 54.97 53.13 1wgw s GLU 68 Cb 0.18 -1.97 0.12 0.00 0.10 0.00 0.00 34.13 32.57 1wgw s GLU 68 CO 0.75 -1.17 0.22 0.00 0.02 0.00 0.00 175.26 175.08 1wgw s MET 69 N 0.68 0.32 0.00 1.61 0.23 -1.25 -4.94 119.30 115.95 1wgw s MET 69 Ca 0.17 -0.54 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 1wgw s MET 69 Cb -0.24 -0.97 0.00 0.00 -1.53 0.00 0.00 34.83 32.09 1wgw s MET 69 CO -0.01 -1.07 0.00 0.00 -2.03 0.00 0.00 175.02 171.92 1wgw n ALA 70 N 5.02 0.00 -0.72 3.16 0.00 -1.26 -5.03 120.51 121.68 1wgw n ALA 70 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1wgw n ALA 70 Cb 0.43 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.03 1wgw n ALA 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wgw n SER 71 N 0.00 -2.15 0.00 0.00 2.88 -1.26 -3.40 113.62 109.69 1wgw n SER 71 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wgw n SER 71 Cb 0.00 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1wgw n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgw n GLY 72 N 1.70 2.98 2.56 0.46 0.00 -1.26 -4.67 105.19 106.95 1wgw n GLY 72 Ca 0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1wgw n GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wgw n LEU 73 N 0.00 -0.07 0.01 0.99 0.00 -1.22 -4.65 117.00 112.06 1wgw n LEU 73 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 56.01 56.44 1wgw n LEU 73 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 43.42 42.38 1wgw n LEU 73 CO 0.00 0.01 -0.11 0.59 0.00 0.00 0.00 177.39 177.88 1wgw n ASN 74 N -1.49 0.66 -0.39 1.96 4.13 -1.26 -4.41 115.26 114.47 1wgw n ASN 74 Ca 0.01 -0.50 -0.04 0.00 1.68 0.00 0.00 54.58 55.73 1wgw n ASN 74 Cb 0.47 1.04 0.01 0.00 -1.54 0.00 0.00 39.78 39.75 1wgw n ASN 74 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1wgw h LYS 75 N 0.00 -0.00 -0.89 3.52 2.10 -1.92 1.38 116.57 120.76 1wgw h LYS 75 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1wgw h LYS 75 Cb 0.66 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.93 1wgw h LYS 75 CO 0.00 -0.00 0.56 0.07 -2.00 0.00 0.00 179.45 178.07 1wgw h ARG 76 N -0.00 0.99 0.00 0.07 0.11 -1.97 0.46 114.38 114.03 1wgw h ARG 76 Ca 0.30 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1wgw h ARG 76 Cb 0.55 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1wgw h ARG 76 CO -0.97 0.65 0.00 1.63 0.10 0.00 0.00 179.97 181.38 1wgw n LYS 77 N -4.59 0.00 0.02 0.08 4.76 0.43 -1.17 118.16 117.68 1wgw n LYS 77 Ca 0.13 0.43 0.23 0.00 -2.87 0.00 0.00 58.31 56.22 1wgw n LYS 77 Cb 0.17 -1.42 0.70 0.00 -1.84 0.00 0.00 35.03 32.64 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 -0.27 1.97 -0.00 -0.14 0.88 114.93 117.37 1wgw h MET 78 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 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 -0.34 0.82 -0.00 0.00 0.00 176.91 177.39 1wgw h ILE 79 N 0.00 1.29 0.00 -0.10 2.04 0.26 0.70 117.51 121.69 1wgw h ILE 79 Ca 0.26 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 1wgw h ILE 79 Cb 1.43 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1wgw h ILE 79 CO -0.00 0.47 -0.14 1.56 0.00 0.00 0.00 178.15 180.03 1wgw h GLN 80 N 0.50 0.00 0.00 2.37 4.20 0.23 -1.71 115.11 120.70 1wgw h GLN 80 Ca 0.06 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1wgw h GLN 80 Cb 0.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1wgw h GLN 80 CO 0.07 0.14 -1.17 1.58 -0.67 0.00 0.00 178.83 178.78 1wgw n HIS 81 N -3.83 0.72 -0.33 2.96 -0.00 -0.89 -3.87 115.22 109.99 1wgw n HIS 81 Ca -0.02 0.31 -0.01 0.00 0.46 0.00 0.00 57.72 58.47 1wgw n HIS 81 Cb 0.24 -0.91 0.05 0.00 -0.12 0.00 0.00 29.99 29.26 1wgw n HIS 81 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wgw h ALA 82 N -0.80 0.21 -0.00 1.57 0.00 0.41 1.32 119.26 121.97 1wgw h ALA 82 Ca -0.25 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wgw h ALA 82 Cb 1.05 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1wgw h ALA 82 CO -0.15 -0.58 -0.01 0.28 0.00 0.00 0.00 179.25 178.80 1wgw h VAL 83 N -0.04 0.00 -0.91 0.00 2.07 -1.51 -1.60 116.25 114.26 1wgw h VAL 83 Ca 0.34 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.06 1wgw h VAL 83 Cb 0.60 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1wgw h VAL 83 CO -0.90 0.00 0.45 -0.26 0.02 0.00 0.00 177.57 176.88 1wgw h PHE 84 N -0.01 0.76 -1.13 1.57 0.04 -1.31 0.27 116.94 117.13 1wgw h PHE 84 Ca 0.00 0.04 0.41 0.00 2.80 0.00 0.00 57.97 61.22 1wgw h PHE 84 Cb 0.01 -0.20 -0.15 0.00 2.20 0.00 0.00 35.95 37.81 1wgw h PHE 84 CO -0.41 0.05 0.67 -0.22 -0.60 0.00 0.00 178.31 177.80 1wgw h LYS 85 N 0.51 0.09 0.05 1.51 3.64 0.26 0.44 116.57 123.08 1wgw h LYS 85 Ca 0.55 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.76 1wgw h LYS 85 Cb 0.97 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1wgw h LYS 85 CO -0.47 0.06 -0.82 0.93 -2.27 0.00 0.00 179.45 176.88 1wgw h GLU 86 N 0.10 0.10 -0.82 1.90 4.39 -0.12 -2.93 114.58 117.19 1wgw h GLU 86 Ca 0.82 -0.17 0.18 0.00 0.34 0.00 0.00 59.36 60.53 1wgw h GLU 86 Cb 2.28 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 30.84 1wgw h GLU 86 CO -0.60 1.08 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.15 1wgw h LEU 87 N -0.74 -0.60 -0.20 1.33 3.38 0.47 0.41 115.31 119.37 1wgw h LEU 87 Ca -0.19 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wgw h LEU 87 Cb 1.37 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1wgw h LEU 87 CO -0.02 -0.25 0.01 -0.37 0.09 0.00 0.00 178.44 177.89 1wgw h VAL 88 N 0.03 1.25 0.00 1.22 -1.51 -0.59 -3.21 116.25 113.44 1wgw h VAL 88 Ca 0.43 -0.84 -0.60 0.00 -1.23 0.00 0.00 66.70 64.46 1wgw h VAL 88 Cb 0.72 1.42 0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1wgw h VAL 88 CO -0.80 0.26 3.43 1.17 -1.23 0.00 0.00 177.57 180.40 1wgw n LYS 89 N -4.71 3.15 0.10 5.19 0.00 0.14 -3.64 118.16 118.39 1wgw n LYS 89 Ca -0.04 -2.05 0.00 0.00 0.00 0.00 0.00 58.31 56.22 1wgw n LYS 89 Cb 0.22 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.48 1wgw n LYS 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1wgw n VAL 90 N 3.98 0.24 -0.08 3.15 0.31 -1.14 -4.84 118.33 119.94 1wgw n VAL 90 Ca 0.67 0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.96 1wgw n VAL 90 Cb 0.23 -0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 1wgw n VAL 90 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wgw h LYS 91 N 0.00 -0.39 -6.20 5.55 1.63 -1.78 -3.42 116.57 111.97 1wgw h LYS 91 Ca 0.00 0.03 -0.55 0.00 -0.85 0.00 0.00 60.65 59.28 1wgw h LYS 91 Cb 0.06 0.09 0.23 0.00 -0.60 0.00 0.00 32.23 32.00 1wgw h LYS 91 CO 0.00 -0.26 -1.50 1.33 -3.45 0.00 0.00 179.45 175.58 1wgw n VAL 92 N -5.42 0.06 -0.97 2.00 0.24 -1.26 -4.81 118.33 108.17 1wgw n VAL 92 Ca -0.02 -0.43 -0.37 0.00 -2.04 0.00 0.00 64.34 61.48 1wgw n VAL 92 Cb 0.36 -0.16 0.05 0.00 -1.47 0.00 0.00 33.84 32.61 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgw n TYR 93 N -2.69 -3.57 0.00 6.34 4.11 -1.26 -4.88 117.16 115.22 1wgw n TYR 93 Ca 0.01 0.21 0.00 0.00 -0.00 0.00 0.00 57.90 58.12 1wgw n TYR 93 Cb 0.55 -1.45 0.00 0.00 -0.00 0.00 0.00 39.34 38.44 1wgw n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1wgw n SER 94 N 2.93 0.00 0.00 9.48 3.41 -1.26 -4.91 113.62 123.27 1wgw n SER 94 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1wgw n SER 94 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgw n GLY 95 N 0.00 1.54 2.46 5.00 0.00 -1.26 -4.99 105.19 107.94 1wgw n GLY 95 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.89 2.69 -1.21 1.61 -0.04 -1.26 -4.53 135.00 131.37 1wgw n PRO 96 Ca 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1wgw n PRO 96 Cb 0.00 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1wgw n PRO 96 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgw n SER 97 N 3.85 -1.81 -4.58 3.54 2.88 -1.26 -4.84 113.62 111.40 1wgw n SER 97 Ca 0.57 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.79 1wgw n SER 97 Cb 0.21 -0.91 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 1wgw n SER 97 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgw s SER 98 N 0.00 5.61 0.00 -3.46 0.15 -1.26 -5.25 113.70 109.48 1wgw s SER 98 Ca 0.00 -1.79 0.16 0.00 0.70 0.00 0.00 55.95 55.02 1wgw s SER 98 Cb 0.00 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1wgw s SER 98 CO 0.00 -2.45 1.02 0.61 1.20 0.00 0.00 173.24 173.61