#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 -0.01 -0.06 1.61 0.15 -1.26 -5.19 113.70 108.95 1wgw s SER 2 Ca 0.00 -0.01 -0.31 0.00 0.70 0.00 0.00 55.95 56.33 1wgw s SER 2 Cb 0.00 0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.44 1wgw s SER 2 CO 0.00 -0.03 1.18 -0.55 1.20 0.00 0.00 173.24 175.04 1wgw s SER 3 N -2.80 -0.13 0.00 5.45 0.15 -1.26 -5.18 113.70 109.93 1wgw s SER 3 Ca 0.14 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1wgw s SER 3 Cb 0.06 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wgw s SER 3 CO -0.06 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1wgw n GLY 4 N -0.32 3.05 1.12 9.45 0.00 -1.26 -5.01 105.19 112.22 1wgw n GLY 4 Ca -0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1wgw n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgw n SER 5 N 0.00 0.04 0.01 1.61 3.41 -1.26 -4.85 113.62 112.58 1wgw n SER 5 Ca 0.00 0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.40 1wgw n SER 5 Cb 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 1wgw n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wgw h SER 6 N 0.00 0.41 0.00 4.04 0.87 -2.09 -3.50 113.55 113.27 1wgw h SER 6 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1wgw h SER 6 Cb 0.84 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1wgw h SER 6 CO 0.00 1.79 0.00 0.61 -0.53 0.00 0.00 176.83 178.70 1wgw n GLY 7 N 1.89 -0.39 4.91 5.77 0.00 -1.26 -5.04 105.19 111.07 1wgw n GLY 7 Ca -0.30 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.40 0.00 -0.11 4.61 0.00 -1.26 -4.29 120.51 119.06 1wgw n ALA 8 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1wgw n ALA 8 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 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 0.12 0.00 0.00 3.32 -1.97 -1.75 116.42 116.14 1wgw h ASP 9 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wgw h ASP 9 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1wgw h ASP 9 CO 0.00 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1wgw n LEU 10 N -4.38 0.00 -0.48 1.55 4.77 -1.26 -1.08 117.00 116.11 1wgw n LEU 10 Ca 0.14 0.37 0.42 0.00 -0.03 0.00 0.00 56.01 56.92 1wgw n LEU 10 Cb 0.70 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.56 1wgw n LEU 10 CO 0.36 0.00 1.39 1.23 -1.33 0.00 0.00 177.39 179.04 1wgw h GLY 11 N 0.00 0.09 1.37 -0.72 0.00 -1.91 1.41 103.07 103.31 1wgw h GLY 11 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1wgw h GLY 11 CO 0.00 -0.02 0.42 3.21 0.00 0.00 0.00 176.54 180.15 1wgw h ARG 12 N 0.01 0.84 0.85 4.80 3.08 -0.74 1.12 114.38 124.35 1wgw h ARG 12 Ca 0.73 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.68 1wgw h ARG 12 Cb 2.87 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 32.74 1wgw h ARG 12 CO -0.03 0.56 -0.41 0.87 -1.07 0.00 0.00 179.97 179.89 1wgw h LYS 13 N 0.87 -1.10 -0.47 0.04 1.57 0.36 -2.53 116.57 115.31 1wgw h LYS 13 Ca 0.23 0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1wgw h LYS 13 Cb -0.09 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1wgw h LYS 13 CO -0.05 -0.74 0.28 0.82 -0.57 0.00 0.00 179.45 179.19 1wgw h ILE 14 N -1.22 1.15 -0.99 1.86 2.04 -1.49 -2.47 117.51 116.39 1wgw h ILE 14 Ca -0.12 -0.35 0.27 0.00 1.00 0.00 0.00 64.86 65.66 1wgw h ILE 14 Cb 0.88 0.54 -0.19 0.00 -0.74 0.00 0.00 36.82 37.31 1wgw h ILE 14 CO 0.19 0.15 -0.00 0.41 0.00 0.00 0.00 178.15 178.90 1wgw n THR 15 N -4.71 -0.42 -0.15 -0.27 -1.04 0.39 0.18 114.28 108.26 1wgw n THR 15 Ca 0.02 2.19 -0.11 0.00 -2.04 0.00 0.00 64.05 64.11 1wgw n THR 15 Cb 0.06 -3.18 -0.01 0.00 -1.82 0.00 0.00 70.33 65.38 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 0.90 0.27 8.00 0.87 -1.00 -1.54 113.55 121.05 1wgw h SER 16 Ca 0.59 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1wgw h SER 16 Cb 1.19 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.87 1wgw h SER 16 CO -0.94 1.06 -0.52 0.00 -0.53 0.00 0.00 176.83 175.90 1wgw h ALA 17 N 0.87 -1.06 -0.61 6.23 0.00 0.23 1.36 119.26 126.28 1wgw h ALA 17 Ca 0.11 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1wgw h ALA 17 Cb 0.68 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1wgw h ALA 17 CO 0.05 -1.15 0.41 -0.07 0.00 0.00 0.00 179.25 178.48 1wgw h LEU 18 N -0.86 0.38 -0.08 0.00 3.38 -0.87 -1.23 115.31 116.03 1wgw h LEU 18 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1wgw h LEU 18 Cb 0.81 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1wgw h LEU 18 CO -0.21 0.23 -0.02 -0.09 0.09 0.00 0.00 178.44 178.44 1wgw h ARG 19 N 0.43 0.15 -0.80 1.13 2.43 0.09 -2.63 114.38 115.18 1wgw h ARG 19 Ca 0.28 -0.06 0.23 0.00 -0.81 0.00 0.00 59.98 59.62 1wgw h ARG 19 Cb 0.54 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1wgw h ARG 19 CO -0.08 0.48 0.88 1.03 -1.51 0.00 0.00 179.97 180.77 1wgw h SER 20 N -0.18 0.00 0.12 -3.80 0.87 0.30 0.54 113.55 111.39 1wgw h SER 20 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1wgw h SER 20 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1wgw h SER 20 CO 0.01 0.00 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.18 1wgw h LEU 21 N 0.00 -0.13 -2.04 2.23 3.38 -1.33 -2.58 115.31 114.83 1wgw h LEU 21 Ca 0.38 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1wgw h LEU 21 Cb 2.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.90 1wgw h LEU 21 CO -0.00 0.48 0.37 -1.28 0.09 0.00 0.00 178.44 178.10 1wgw h SER 22 N -0.89 0.00 1.28 -0.43 0.87 0.08 1.08 113.55 115.54 1wgw h SER 22 Ca -0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1wgw h SER 22 Cb 0.54 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1wgw h SER 22 CO 0.03 0.00 -0.72 -1.13 -0.53 0.00 0.00 176.83 174.48 1wgw h ASN 23 N 0.00 0.00 -3.68 6.23 -1.24 -1.12 -3.45 115.58 112.32 1wgw h ASN 23 Ca 0.14 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.82 1wgw h ASN 23 Cb 0.88 0.00 0.12 0.00 0.73 0.00 0.00 38.32 40.05 1wgw h ASN 23 CO -0.00 0.72 0.28 0.00 -1.29 0.00 0.00 177.43 177.13 1wgw n ALA 24 N -2.28 -0.94 0.00 1.57 0.00 0.37 -5.04 120.51 114.19 1wgw n ALA 24 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1wgw n ALA 24 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -3.24 0.00 -0.24 0.00 -1.04 -1.26 -4.88 114.28 103.61 1wgw n THR 25 Ca 0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.15 1wgw n THR 25 Cb 0.44 -0.23 0.10 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.33 -5.94 12.58 5.03 -1.96 -3.47 117.51 124.09 1wgw h ILE 26 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1wgw h ILE 26 Cb 0.00 0.30 -0.02 0.00 -3.03 0.00 0.00 36.82 34.07 1wgw h ILE 26 CO 0.00 0.01 -0.81 -0.38 -0.68 0.00 0.00 178.15 176.29 1wgw n ILE 27 N -5.42 -4.83 -2.64 -0.67 2.08 -1.26 -5.02 119.36 101.60 1wgw n ILE 27 Ca 0.10 0.88 0.00 0.00 0.56 0.00 0.00 62.75 64.29 1wgw n ILE 27 Cb 0.38 -4.00 0.00 0.00 -0.75 0.00 0.00 39.64 35.28 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 1.55 0.00 0.10 4.38 0.23 -1.26 -5.02 115.26 115.24 1wgw n ASN 28 Ca -0.05 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.87 1wgw n ASN 28 Cb 0.30 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.92 1wgw n ASN 28 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wgw h GLU 29 N 0.00 -0.18 -0.33 -3.83 5.08 -1.95 -2.98 114.58 110.38 1wgw h GLU 29 Ca 0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1wgw h GLU 29 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1wgw h GLU 29 CO 0.00 -0.03 -0.53 1.49 -1.00 0.00 0.00 179.01 178.94 1wgw h GLU 30 N -0.30 -0.43 0.00 2.33 4.57 -1.97 0.20 114.58 118.97 1wgw h GLU 30 Ca -0.02 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1wgw h GLU 30 Cb 0.24 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1wgw h GLU 30 CO 0.03 -0.28 0.00 0.28 -1.18 0.00 0.00 179.01 177.86 1wgw n VAL 31 N -5.40 0.00 -0.12 0.32 0.31 -1.19 0.22 118.33 112.47 1wgw n VAL 31 Ca -0.04 1.44 -0.08 0.00 -0.01 0.00 0.00 64.34 65.65 1wgw n VAL 31 Cb 0.35 -1.93 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 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 -1.13 -0.80 7.52 6.46 -1.30 0.89 115.31 126.96 1wgw h LEU 32 Ca 0.00 0.15 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 1wgw h LEU 32 Cb 0.00 0.47 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 1wgw h LEU 32 CO 0.00 -0.21 -0.53 -1.13 -0.62 0.00 0.00 178.44 175.95 1wgw h ASN 33 N -0.18 -1.89 -0.24 1.25 -1.24 0.54 0.79 115.58 114.61 1wgw h ASN 33 Ca 0.05 0.29 0.06 0.00 0.71 0.00 0.00 56.30 57.42 1wgw h ASN 33 Cb 0.32 0.84 -0.07 0.00 0.73 0.00 0.00 38.32 40.14 1wgw h ASN 33 CO -0.39 -0.30 -0.31 0.00 -1.29 0.00 0.00 177.43 175.14 1wgw h ALA 34 N 0.52 -0.27 -0.61 1.57 0.00 0.42 -0.57 119.26 120.33 1wgw h ALA 34 Ca 0.17 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1wgw h ALA 34 Cb 0.50 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1wgw h ALA 34 CO -0.83 -0.75 0.11 1.98 0.00 0.00 0.00 179.25 179.76 1wgw h MET 35 N -0.32 0.23 -0.67 0.00 1.85 0.40 0.48 114.93 116.90 1wgw h MET 35 Ca 0.13 -0.01 0.18 0.00 -0.61 0.00 0.00 59.70 59.38 1wgw h MET 35 Cb 0.53 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.47 1wgw h MET 35 CO -0.42 0.15 0.47 -0.07 -0.40 0.00 0.00 176.91 176.64 1wgw h LEU 36 N 0.24 0.08 -0.72 3.39 3.38 0.20 1.24 115.31 123.12 1wgw h LEU 36 Ca 0.32 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1wgw h LEU 36 Cb 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1wgw h LEU 36 CO -0.43 0.04 -0.42 0.50 0.09 0.00 0.00 178.44 178.23 1wgw h LYS 37 N 0.09 0.48 0.00 1.13 3.64 0.87 1.11 116.57 123.89 1wgw h LYS 37 Ca 0.32 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1wgw h LYS 37 Cb 1.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1wgw h LYS 37 CO -0.03 0.82 -0.82 0.93 -2.27 0.00 0.00 179.45 178.08 1wgw h GLU 38 N 0.40 0.00 0.00 1.90 4.39 0.82 -3.24 114.58 118.84 1wgw h GLU 38 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1wgw h GLU 38 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1wgw h GLU 38 CO 0.08 0.20 -0.30 0.28 -1.16 0.00 0.00 179.01 178.11 1wgw h VAL 39 N 0.00 0.00 -1.36 3.13 2.07 0.14 -3.27 116.25 116.96 1wgw h VAL 39 Ca -0.05 -0.99 0.44 0.00 0.82 0.00 0.00 66.70 66.93 1wgw h VAL 39 Cb 1.26 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1wgw h VAL 39 CO 0.03 0.00 0.88 0.00 0.02 0.00 0.00 177.57 178.50 1wgw h THR 41 N 0.07 0.31 -0.56 0.00 2.02 -1.68 0.20 112.91 113.27 1wgw h THR 41 Ca 0.83 0.00 0.11 0.00 0.77 0.00 0.00 66.41 68.11 1wgw h THR 41 Cb 2.65 0.31 -0.11 0.00 -1.74 0.00 0.00 68.15 69.27 1wgw h THR 41 CO -0.40 0.00 -0.28 0.00 0.37 0.00 0.00 175.52 175.21 1wgw h ALA 42 N -0.55 0.06 -0.49 6.16 0.00 0.47 1.57 119.26 126.48 1wgw h ALA 42 Ca -0.08 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1wgw h ALA 42 Cb 0.70 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1wgw h ALA 42 CO 0.12 -0.62 0.21 -0.07 0.00 0.00 0.00 179.25 178.89 1wgw h LEU 43 N -0.14 0.26 -1.30 0.00 -0.00 -1.18 0.22 115.31 113.16 1wgw h LEU 43 Ca 0.24 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1wgw h LEU 43 Cb 0.53 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 1wgw h LEU 43 CO -0.64 0.18 0.12 -0.07 -0.00 0.00 0.00 178.44 178.03 1wgw h LEU 44 N 0.41 0.55 -0.42 1.67 3.38 0.27 0.11 115.31 121.29 1wgw h LEU 44 Ca 0.23 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wgw h LEU 44 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1wgw h LEU 44 CO -0.20 0.53 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 1wgw n GLU 45 N -4.34 1.27 -0.05 1.13 1.02 0.50 -3.98 120.64 116.19 1wgw n GLU 45 Ca 0.03 -0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 56.71 1wgw n GLU 45 Cb 0.18 -1.32 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.36 0.43 0.00 0.62 0.00 0.54 -5.01 120.51 116.73 1wgw n ALA 46 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1wgw n ALA 46 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1wgw n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wgw n ASP 47 N -3.56 0.00 -4.27 0.00 -0.08 -0.83 -5.10 116.55 102.72 1wgw n ASP 47 Ca -0.07 0.00 -0.47 0.00 -1.51 0.00 0.00 54.79 52.74 1wgw n ASP 47 Cb 0.25 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.68 1wgw n ASP 47 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1wgw n VAL 48 N 0.00 1.92 -1.83 5.18 0.31 -1.20 -4.83 118.33 117.88 1wgw n VAL 48 Ca 0.00 -0.48 -0.35 0.00 -0.01 0.00 0.00 64.34 63.50 1wgw n VAL 48 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 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 -0.96 4.89 0.22 4.52 2.47 -1.26 -4.59 114.94 120.23 1wgw s ASN 49 Ca 0.62 2.37 -0.08 0.00 0.42 0.00 0.00 52.86 56.20 1wgw s ASN 49 Cb -0.91 -2.59 0.17 0.00 -1.45 0.00 0.00 41.25 36.47 1wgw s ASN 49 CO 0.54 -1.79 1.80 -0.29 -3.72 0.00 0.00 177.10 173.64 1wgw h ILE 50 N 0.50 1.26 -0.52 -5.21 6.09 -1.97 -0.38 117.51 117.28 1wgw h ILE 50 Ca -0.50 -0.76 -0.02 0.00 -1.37 0.00 0.00 64.86 62.21 1wgw h ILE 50 Cb 1.30 0.22 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 1wgw h ILE 50 CO 0.54 0.32 0.23 0.11 -3.07 0.00 0.00 178.15 176.28 1wgw h LYS 51 N 1.19 0.77 -0.31 2.19 6.56 -1.98 -1.11 116.57 123.88 1wgw h LYS 51 Ca 0.28 -0.12 0.01 0.00 -1.06 0.00 0.00 60.65 59.76 1wgw h LYS 51 Cb 0.15 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1wgw h LYS 51 CO -0.03 0.65 0.19 -0.07 -2.06 0.00 0.00 179.45 178.13 1wgw h LEU 52 N 0.70 0.32 -1.40 2.94 -0.00 -1.79 0.15 115.31 116.24 1wgw h LEU 52 Ca 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1wgw h LEU 52 Cb 0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1wgw h LEU 52 CO -0.02 0.24 0.00 0.58 -0.00 0.00 0.00 178.44 179.24 1wgw h VAL 53 N 0.40 0.00 0.00 1.22 2.07 -0.71 0.28 116.25 119.50 1wgw h VAL 53 Ca 0.12 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 1wgw h VAL 53 Cb -0.02 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1wgw h VAL 53 CO -0.04 0.00 -1.07 0.11 0.02 0.00 0.00 177.57 176.58 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 0.55 -3.13 116.57 117.12 1wgw h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wgw h LYS 54 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1wgw h LYS 54 CO 0.00 0.64 -1.00 1.04 -0.57 0.00 0.00 179.45 179.55 1wgw n GLN 55 N -3.17 0.24 0.06 3.15 1.13 0.32 -4.26 117.38 114.85 1wgw n GLN 55 Ca -0.04 -0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 54.95 1wgw n GLN 55 Cb 0.89 -1.57 -0.04 0.00 0.11 0.00 0.00 30.24 29.63 1wgw n GLN 55 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1wgw h LEU 56 N 0.00 -0.22 -0.90 1.08 6.46 -0.63 -2.27 115.31 118.83 1wgw h LEU 56 Ca 0.00 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.76 1wgw h LEU 56 Cb 0.69 0.06 -0.13 0.00 -0.73 0.00 0.00 40.66 40.55 1wgw h LEU 56 CO 0.00 0.29 -0.44 -2.11 -0.62 0.00 0.00 178.44 175.57 1wgw n ARG 57 N -4.94 -0.30 0.36 1.25 1.85 -1.18 0.33 116.66 114.03 1wgw n ARG 57 Ca -0.05 1.37 -0.18 0.00 -1.00 0.00 0.00 57.85 58.00 1wgw n ARG 57 Cb 0.16 -2.03 -0.09 0.00 -1.05 0.00 0.00 32.46 29.45 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 -0.90 -0.91 2.89 4.11 -1.74 1.18 114.58 119.20 1wgw h GLU 58 Ca 0.23 0.06 0.26 0.00 0.07 0.00 0.00 59.36 59.99 1wgw h GLU 58 Cb 0.46 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1wgw h GLU 58 CO -0.87 -0.60 0.89 -0.91 0.07 0.00 0.00 179.01 177.59 1wgw h ASN 59 N -0.94 0.00 0.00 3.06 2.35 -0.14 1.27 115.58 121.19 1wgw h ASN 59 Ca -0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 1wgw h ASN 59 Cb 0.75 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1wgw h ASN 59 CO 0.10 0.00 -0.82 0.58 -1.65 0.00 0.00 177.43 175.65 1wgw h VAL 60 N 0.00 0.57 -0.16 2.81 2.07 0.12 -3.25 116.25 118.40 1wgw h VAL 60 Ca 0.43 -1.67 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1wgw h VAL 60 Cb 2.21 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1wgw h VAL 60 CO -0.00 0.19 0.31 0.11 0.02 0.00 0.00 177.57 178.20 1wgw h LYS 61 N -1.00 0.00 0.00 1.57 1.57 0.42 0.83 116.57 119.96 1wgw h LYS 61 Ca -0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 1wgw h LYS 61 Cb 0.90 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1wgw h LYS 61 CO -0.10 0.00 -0.85 1.03 -0.57 0.00 0.00 179.45 178.95 1wgw h SER 62 N 0.00 0.07 0.87 0.86 0.87 0.13 -2.85 113.55 113.51 1wgw h SER 62 Ca 0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1wgw h SER 62 Cb 0.69 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1wgw h SER 62 CO -0.00 0.88 0.00 0.00 -0.53 0.00 0.00 176.83 177.18 1wgw n ALA 63 N -2.40 1.89 -1.89 6.23 0.00 0.29 -4.73 120.51 119.90 1wgw n ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wgw n ALA 63 Cb 0.80 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.95 0.00 0.00 0.00 2.08 -1.02 -5.01 119.36 113.45 1wgw n ILE 64 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1wgw n ILE 64 Cb 0.27 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 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 -0.33 4.38 -0.08 -1.26 -5.03 116.55 114.23 1wgw n ASP 65 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 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 -0.93 0.00 -2.67 3.38 -1.98 -1.23 115.31 111.88 1wgw h LEU 66 Ca 0.00 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wgw h LEU 66 Cb 0.00 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wgw h LEU 66 CO 0.00 -0.30 0.00 -0.62 0.09 0.00 0.00 178.44 177.61 1wgw n GLU 67 N -5.56 0.00 -3.44 1.13 1.02 -1.26 -3.45 120.64 109.08 1wgw n GLU 67 Ca 0.13 0.85 -0.44 0.00 -0.02 0.00 0.00 57.16 57.69 1wgw n GLU 67 Cb 0.45 -1.43 -0.04 0.00 -0.02 0.00 0.00 31.44 30.40 1wgw n GLU 67 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1wgw s GLU 68 N -2.73 3.39 0.00 3.49 8.01 -0.48 -4.91 118.70 125.46 1wgw s GLU 68 Ca 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 54.97 52.38 1wgw s GLU 68 Cb 0.00 -4.25 0.00 0.00 -4.31 0.00 0.00 34.13 25.57 1wgw s GLU 68 CO 0.00 -1.26 0.00 -1.33 0.01 0.00 0.00 175.26 172.68 1wgw n MET 69 N 3.64 0.00 0.00 1.61 2.81 -1.09 -4.72 117.12 119.37 1wgw n MET 69 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1wgw n MET 69 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 1wgw n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wgw n ALA 70 N -3.00 0.00 0.03 3.04 0.00 -1.26 -4.90 120.51 114.42 1wgw n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgw n ALA 70 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.01 0.00 0.00 7.64 -1.26 -5.09 113.62 114.90 1wgw n SER 71 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wgw n SER 71 Cb 0.00 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 1.68 0.90 2.77 0.23 0.00 -1.26 -4.93 105.19 104.57 1wgw n GLY 72 Ca 0.00 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 6.15 -0.12 0.99 4.32 -1.26 -4.65 117.00 122.43 1wgw n LEU 73 Ca 0.00 -5.51 -0.25 0.00 -0.02 0.00 0.00 56.01 50.23 1wgw n LEU 73 Cb 0.00 -0.92 -0.11 0.00 -1.62 0.00 0.00 43.42 40.77 1wgw n LEU 73 CO 0.00 2.17 -1.17 0.59 -1.22 0.00 0.00 177.39 177.76 1wgw n ASN 74 N -0.11 1.96 -0.29 -1.43 4.13 -1.26 -4.22 115.26 114.04 1wgw n ASN 74 Ca 0.40 0.25 0.12 0.00 1.68 0.00 0.00 54.58 57.04 1wgw n ASN 74 Cb 0.32 -0.78 0.37 0.00 -1.54 0.00 0.00 39.78 38.14 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 -0.71 0.69 -0.94 3.52 -0.00 -1.91 0.19 116.57 117.41 1wgw h LYS 75 Ca -0.58 -0.04 0.11 0.00 -0.00 0.00 0.00 60.65 60.13 1wgw h LYS 75 Cb 1.64 -0.16 -0.08 0.00 -0.00 0.00 0.00 32.23 33.64 1wgw h LYS 75 CO -0.27 0.46 0.58 0.00 -0.00 0.00 0.00 179.45 180.21 1wgw h ARG 76 N 0.71 0.92 0.00 0.07 2.47 -1.91 0.65 114.38 117.29 1wgw h ARG 76 Ca 0.48 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1wgw h ARG 76 Cb 0.78 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1wgw h ARG 76 CO -0.24 0.61 0.00 1.63 0.56 0.00 0.00 179.97 182.53 1wgw n LYS 77 N -4.65 0.00 -0.07 0.04 4.76 0.63 0.11 118.16 118.98 1wgw n LYS 77 Ca 0.17 0.41 0.25 0.00 -2.87 0.00 0.00 58.31 56.27 1wgw n LYS 77 Cb 0.31 -1.41 0.72 0.00 -1.84 0.00 0.00 35.03 32.80 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 0.33 1.97 -0.00 -1.37 -1.38 114.93 114.47 1wgw h MET 78 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1wgw h MET 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1wgw h MET 78 CO 0.00 0.00 -0.16 0.82 -0.00 0.00 0.00 176.91 177.57 1wgw h ILE 79 N 0.00 0.00 -0.93 -0.10 2.04 0.60 0.62 117.51 119.74 1wgw h ILE 79 Ca 0.34 -0.47 0.27 0.00 1.00 0.00 0.00 64.86 66.00 1wgw h ILE 79 Cb 1.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 1wgw h ILE 79 CO -0.00 0.00 0.97 -0.61 0.00 0.00 0.00 178.15 178.51 1wgw h GLN 80 N -0.91 0.00 0.00 2.37 4.15 0.18 0.45 115.11 121.35 1wgw h GLN 80 Ca -0.04 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.19 1wgw h GLN 80 Cb 0.34 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1wgw h GLN 80 CO 0.07 0.00 -1.07 1.25 -1.93 0.00 0.00 178.83 177.15 1wgw h HIS 81 N 0.00 0.00 -0.69 3.99 2.76 -1.29 -3.11 115.15 116.81 1wgw h HIS 81 Ca 0.44 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.77 1wgw h HIS 81 Cb 2.38 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 31.23 1wgw h HIS 81 CO 0.00 1.19 0.07 0.00 -1.30 0.00 0.00 177.93 177.89 1wgw h ALA 82 N -0.58 0.78 0.40 5.26 0.00 0.40 1.45 119.26 126.98 1wgw h ALA 82 Ca -0.27 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wgw h ALA 82 Cb 1.14 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wgw h ALA 82 CO -0.17 -0.38 -0.19 0.28 0.00 0.00 0.00 179.25 178.79 1wgw h VAL 83 N 0.17 0.00 -0.62 0.00 2.07 -0.49 -1.19 116.25 116.18 1wgw h VAL 83 Ca 0.38 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 68.01 1wgw h VAL 83 Cb 0.65 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.30 1wgw h VAL 83 CO -0.56 0.00 -0.15 -0.26 0.02 0.00 0.00 177.57 176.63 1wgw h PHE 84 N -0.56 -0.31 -0.07 1.57 -1.00 -1.32 1.66 116.94 116.90 1wgw h PHE 84 Ca -0.06 0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1wgw h PHE 84 Cb 0.42 0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 1wgw h PHE 84 CO 0.13 -0.26 0.19 -0.22 -1.61 0.00 0.00 178.31 176.53 1wgw h LYS 85 N 0.01 0.00 0.00 1.51 3.11 0.20 0.80 116.57 122.19 1wgw h LYS 85 Ca 0.30 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.88 1wgw h LYS 85 Cb 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 1wgw h LYS 85 CO -0.64 0.00 -1.93 0.39 -2.81 0.00 0.00 179.45 174.46 1wgw n GLU 86 N -3.30 0.65 0.05 1.90 -0.58 0.49 -3.17 120.64 116.69 1wgw n GLU 86 Ca -0.01 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.66 1wgw n GLU 86 Cb 0.27 -1.66 -0.09 0.00 -0.57 0.00 0.00 31.44 29.39 1wgw n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wgw h LEU 87 N 0.00 0.80 -0.60 -4.62 3.38 0.44 -3.19 115.31 111.52 1wgw h LEU 87 Ca -0.33 -0.65 -0.15 0.00 0.09 0.00 0.00 57.88 56.84 1wgw h LEU 87 Cb 1.91 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1wgw h LEU 87 CO 0.04 1.45 -0.57 -0.37 0.09 0.00 0.00 178.44 179.08 1wgw h VAL 88 N 0.34 1.35 -2.27 1.22 -1.51 0.24 -3.34 116.25 112.28 1wgw h VAL 88 Ca -0.12 -1.87 -0.75 0.00 -1.23 0.00 0.00 66.70 62.72 1wgw h VAL 88 Cb 1.68 1.88 -0.19 0.00 -2.13 0.00 0.00 31.29 32.53 1wgw h VAL 88 CO 0.20 0.57 1.32 1.17 -1.23 0.00 0.00 177.57 179.59 1wgw n LYS 89 N -3.92 3.48 -3.82 5.19 4.81 -1.19 -4.92 118.16 117.79 1wgw n LYS 89 Ca -0.03 -3.91 -0.09 0.00 -0.87 0.00 0.00 58.31 53.41 1wgw n LYS 89 Cb 0.61 -2.93 -0.06 0.00 0.02 0.00 0.00 35.03 32.66 1wgw n LYS 89 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1wgw s VAL 90 N 0.79 0.09 -0.23 3.15 -7.23 -1.25 -4.82 120.40 110.90 1wgw s VAL 90 Ca 0.40 -1.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1wgw s VAL 90 Cb -0.01 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 1wgw s VAL 90 CO -0.00 -0.42 0.21 1.17 -0.31 0.00 0.00 175.10 175.75 1wgw n LYS 91 N -0.17 -0.43 -0.99 4.82 3.00 -1.26 -4.87 118.16 118.26 1wgw n LYS 91 Ca -0.13 0.66 0.12 0.00 -0.00 0.00 0.00 58.31 58.96 1wgw n LYS 91 Cb 0.63 -2.70 -0.04 0.00 0.00 0.00 0.00 35.03 32.92 1wgw n LYS 91 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1wgw n VAL 92 N -1.39 0.00 -0.12 3.15 3.14 -1.26 -4.75 118.33 117.10 1wgw n VAL 92 Ca -0.00 0.13 -0.17 0.00 -2.96 0.00 0.00 64.34 61.33 1wgw n VAL 92 Cb 0.51 -0.44 -0.11 0.00 -1.06 0.00 0.00 33.84 32.74 1wgw n VAL 92 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgw n TYR 93 N -3.11 0.00 -2.93 1.45 4.11 -1.26 -5.07 117.16 110.35 1wgw n TYR 93 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 1wgw n TYR 93 Cb 0.61 -0.90 0.00 0.00 -0.00 0.00 0.00 39.34 39.05 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 -3.28 -7.42 -0.11 9.48 2.88 -1.26 -4.84 113.62 109.07 1wgw n SER 94 Ca -0.42 0.91 0.01 0.00 -1.33 0.00 0.00 58.87 58.04 1wgw n SER 94 Cb 0.93 -3.95 -0.01 0.00 -0.75 0.00 0.00 64.21 60.44 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 0.71 -2.58 0.20 0.46 0.00 -1.26 -4.73 105.19 97.99 1wgw n GLY 95 Ca 0.01 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 1wgw n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgw h PRO 96 N -0.10 0.68 -6.39 1.61 0.13 -2.06 -3.43 132.00 122.43 1wgw h PRO 96 Ca -0.01 -0.66 -0.54 0.00 -0.87 0.00 0.00 66.00 63.91 1wgw h PRO 96 Cb 0.10 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1wgw h PRO 96 CO 0.01 1.26 0.62 -1.54 -0.23 0.00 0.00 178.00 178.12 1wgw s SER 97 N -7.19 7.08 0.22 1.44 1.04 -1.26 -4.84 113.70 110.19 1wgw s SER 97 Ca -0.09 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1wgw s SER 97 Cb 0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1wgw s SER 97 CO 0.91 -0.52 0.00 -1.54 0.98 0.00 0.00 173.24 173.07 1wgw n SER 98 N 4.59 0.06 0.00 7.02 3.41 -1.26 -4.99 113.62 122.45 1wgw n SER 98 Ca 0.10 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.17 1wgw n SER 98 Cb 0.47 0.24 0.52 0.00 -0.26 0.00 0.00 64.21 65.18 1wgw n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49