#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 0.00 -4.49 1.61 3.41 -1.26 -5.17 113.62 107.72 1wgw n SER 2 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1wgw n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1wgw n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wgw s SER 3 N 0.00 3.93 0.16 4.04 0.01 -1.26 -4.97 113.70 115.61 1wgw s SER 3 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1wgw s SER 3 Cb 0.00 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1wgw s SER 3 CO 0.00 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1wgw n GLY 4 N 1.14 -5.44 0.00 3.44 0.00 -1.26 -5.06 105.19 98.01 1wgw n GLY 4 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.95 0.00 -4.57 1.61 2.88 -1.26 -5.09 113.62 109.15 1wgw n SER 5 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1wgw n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 6.57 -0.22 -3.46 0.15 -1.26 -4.51 113.70 110.97 1wgw s SER 6 Ca 0.00 -1.80 -0.14 0.00 0.70 0.00 0.00 55.95 54.71 1wgw s SER 6 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1wgw s SER 6 CO 0.00 -1.44 0.27 0.61 1.20 0.00 0.00 173.24 173.87 1wgw n GLY 7 N 6.32 -0.57 0.00 9.45 0.00 -1.26 -4.56 105.19 114.57 1wgw n GLY 7 Ca 0.39 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 0.61 -0.24 -0.30 4.61 0.00 -1.26 -0.22 120.51 123.71 1wgw n ALA 8 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.57 1wgw n ALA 8 Cb 0.50 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.34 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 0.63 0.24 0.00 5.19 -1.97 0.16 116.42 120.68 1wgw h ASP 9 Ca 0.00 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1wgw h ASP 9 Cb 0.00 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1wgw h ASP 9 CO 0.00 0.26 -0.15 -0.07 -3.12 0.00 0.00 179.24 176.16 1wgw h LEU 10 N 0.64 -0.37 -2.09 1.55 3.38 -1.91 0.10 115.31 116.61 1wgw h LEU 10 Ca 0.51 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.52 1wgw h LEU 10 Cb 0.95 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1wgw h LEU 10 CO -0.27 -0.23 0.31 1.23 0.09 0.00 0.00 178.44 179.58 1wgw h GLY 11 N -0.36 0.00 2.00 0.83 0.00 0.04 0.79 103.07 106.36 1wgw h GLY 11 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1wgw h GLY 11 CO 0.04 0.00 -0.56 3.21 0.00 0.00 0.00 176.54 179.22 1wgw h ARG 12 N 0.00 0.00 -0.35 4.80 3.08 0.10 0.13 114.38 122.14 1wgw h ARG 12 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1wgw h ARG 12 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1wgw h ARG 12 CO -0.00 0.56 -0.38 0.87 -1.07 0.00 0.00 179.97 179.95 1wgw h LYS 13 N 0.00 0.82 0.05 0.04 1.57 0.26 -2.84 116.57 116.47 1wgw h LYS 13 Ca -0.01 -0.42 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1wgw h LYS 13 Cb 1.35 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1wgw h LYS 13 CO 0.07 1.06 -0.63 0.82 -0.57 0.00 0.00 179.45 180.20 1wgw h ILE 14 N 0.67 1.46 -1.55 1.86 2.04 -1.50 -3.11 117.51 117.39 1wgw h ILE 14 Ca 0.06 -2.38 0.46 0.00 1.00 0.00 0.00 64.86 64.00 1wgw h ILE 14 Cb 0.94 3.05 -0.08 0.00 -0.74 0.00 0.00 36.82 40.00 1wgw h ILE 14 CO 0.09 0.60 1.10 0.74 0.00 0.00 0.00 178.15 180.68 1wgw h THR 15 N -0.74 0.19 0.24 -0.27 2.02 -0.78 1.43 112.91 115.01 1wgw h THR 15 Ca -0.14 -0.01 -0.34 0.00 0.77 0.00 0.00 66.41 66.69 1wgw h THR 15 Cb 1.33 0.16 0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1wgw h THR 15 CO 0.01 0.01 -1.53 -1.28 0.37 0.00 0.00 175.52 173.09 1wgw h SER 16 N 0.03 0.80 0.13 4.18 0.87 -1.57 -2.51 113.55 115.47 1wgw h SER 16 Ca 0.77 -0.93 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1wgw h SER 16 Cb 2.94 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 64.62 1wgw h SER 16 CO -0.09 1.73 -0.21 0.00 -0.53 0.00 0.00 176.83 177.73 1wgw h ALA 17 N 0.14 -0.37 -0.23 6.23 0.00 0.19 1.16 119.26 126.39 1wgw h ALA 17 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wgw h ALA 17 Cb 2.15 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 1wgw h ALA 17 CO 0.25 -0.75 0.15 -0.07 0.00 0.00 0.00 179.25 178.83 1wgw h LEU 18 N -0.41 0.25 -2.12 0.00 3.38 -1.07 -1.02 115.31 114.32 1wgw h LEU 18 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wgw h LEU 18 Cb 0.42 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wgw h LEU 18 CO -0.11 0.18 -0.06 0.03 0.09 0.00 0.00 178.44 178.58 1wgw h ARG 19 N 0.30 0.00 0.00 1.13 2.47 -0.97 -0.65 114.38 116.67 1wgw h ARG 19 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1wgw h ARG 19 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1wgw h ARG 19 CO -0.02 0.06 0.15 1.03 0.56 0.00 0.00 179.97 181.75 1wgw h SER 20 N 0.00 0.00 0.00 7.04 0.87 0.28 -1.85 113.55 119.89 1wgw h SER 20 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1wgw h SER 20 Cb 0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1wgw h SER 20 CO 0.01 0.00 -0.88 0.18 -0.53 0.00 0.00 176.83 175.61 1wgw n LEU 21 N -2.67 1.86 -0.61 2.23 4.77 -0.26 -2.71 117.00 119.62 1wgw n LEU 21 Ca -0.02 0.51 0.48 0.00 -0.03 0.00 0.00 56.01 56.95 1wgw n LEU 21 Cb 0.20 -0.85 0.76 0.00 -2.33 0.00 0.00 43.42 41.20 1wgw n LEU 21 CO 0.13 -0.25 1.38 -1.28 -1.33 0.00 0.00 177.39 176.05 1wgw h SER 22 N -1.00 0.09 0.10 -1.43 0.87 -1.39 1.45 113.55 112.24 1wgw h SER 22 Ca -0.10 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 1wgw h SER 22 Cb 0.82 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1wgw h SER 22 CO -0.06 -0.12 -1.21 0.78 -0.53 0.00 0.00 176.83 175.69 1wgw h ASN 23 N 0.00 0.32 -3.51 6.23 2.35 -1.52 -3.47 115.58 115.98 1wgw h ASN 23 Ca 0.92 -0.84 -0.56 0.00 -0.55 0.00 0.00 56.30 55.27 1wgw h ASN 23 Cb 3.39 -0.10 0.18 0.00 0.05 0.00 0.00 38.32 41.84 1wgw h ASN 23 CO -0.22 1.53 -0.12 0.00 -1.65 0.00 0.00 177.43 176.97 1wgw n ALA 24 N -2.95 -0.80 -0.04 -0.83 0.00 0.50 -4.94 120.51 111.43 1wgw n ALA 24 Ca -0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1wgw n ALA 24 Cb 0.83 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.43 0.56 0.00 0.00 -1.04 -1.26 -4.79 114.28 105.32 1wgw n THR 25 Ca 0.12 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1wgw n THR 25 Cb 0.49 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 1wgw n THR 25 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1wgw n ILE 26 N -2.54 0.00 -2.35 12.58 2.08 -1.26 -5.01 119.36 122.87 1wgw n ILE 26 Ca -0.15 1.27 -0.02 0.00 0.56 0.00 0.00 62.75 64.40 1wgw n ILE 26 Cb 0.73 -2.25 -0.02 0.00 -0.75 0.00 0.00 39.64 37.35 1wgw n ILE 26 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1wgw n ILE 27 N -1.40 -9.94 -3.99 1.39 2.08 -1.26 -5.02 119.36 101.22 1wgw n ILE 27 Ca 0.00 1.74 -0.10 0.00 0.56 0.00 0.00 62.75 64.95 1wgw n ILE 27 Cb 0.00 -5.97 -0.03 0.00 -0.75 0.00 0.00 39.64 32.89 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 0.91 -0.67 0.28 4.38 0.23 -1.26 -4.98 115.26 114.14 1wgw n ASN 28 Ca -0.17 -2.22 0.19 0.00 -0.53 0.00 0.00 54.58 51.85 1wgw n ASN 28 Cb 0.26 1.34 1.01 0.00 -2.08 0.00 0.00 39.78 40.31 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 0.00 0.06 -3.83 4.81 -1.98 -1.36 114.58 112.28 1wgw h GLU 29 Ca -0.16 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1wgw h GLU 29 Cb 0.72 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.12 1wgw h GLU 29 CO 0.22 0.00 -0.53 1.49 -0.73 0.00 0.00 179.01 179.46 1wgw h GLU 30 N 0.00 0.25 0.15 1.92 4.81 -1.98 -2.61 114.58 117.12 1wgw h GLU 30 Ca 0.00 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1wgw h GLU 30 Cb 0.01 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1wgw h GLU 30 CO 0.00 1.11 -0.33 0.28 -0.73 0.00 0.00 179.01 179.34 1wgw h VAL 31 N -0.43 0.30 -0.95 0.32 2.07 -1.64 0.84 116.25 116.76 1wgw h VAL 31 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1wgw h VAL 31 Cb 1.34 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1wgw h VAL 31 CO 0.10 0.00 0.58 0.25 0.02 0.00 0.00 177.57 178.52 1wgw h LEU 32 N -0.58 0.84 -0.27 2.57 6.46 -1.61 1.42 115.31 124.14 1wgw h LEU 32 Ca 0.02 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1wgw h LEU 32 Cb 0.59 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1wgw h LEU 32 CO -0.18 0.45 0.11 0.78 -0.62 0.00 0.00 178.44 178.98 1wgw h ASN 33 N 0.92 0.37 0.66 1.25 2.35 -0.79 0.33 115.58 120.67 1wgw h ASN 33 Ca 0.47 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 1wgw h ASN 33 Cb 0.47 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1wgw h ASN 33 CO -0.27 0.43 -0.32 0.00 -1.65 0.00 0.00 177.43 175.63 1wgw h ALA 34 N 0.96 -0.91 -0.89 -0.83 0.00 0.24 -2.96 119.26 114.87 1wgw h ALA 34 Ca 0.09 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.02 1wgw h ALA 34 Cb 0.17 0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 1wgw h ALA 34 CO -0.01 -0.84 0.39 1.98 0.00 0.00 0.00 179.25 180.76 1wgw h MET 35 N -1.20 0.39 -0.32 0.00 1.85 0.18 0.25 114.93 116.08 1wgw h MET 35 Ca -0.09 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.04 1wgw h MET 35 Cb 0.68 -0.09 -0.08 0.00 0.43 0.00 0.00 31.60 32.54 1wgw h MET 35 CO 0.15 0.26 -0.34 -0.07 -0.40 0.00 0.00 176.91 176.51 1wgw h LEU 36 N 0.40 -1.11 -0.58 3.39 3.38 -0.30 0.17 115.31 120.66 1wgw h LEU 36 Ca 0.55 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.80 1wgw h LEU 36 Cb 1.04 0.50 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 1wgw h LEU 36 CO -0.53 -0.34 -0.36 0.50 0.09 0.00 0.00 178.44 177.80 1wgw h LYS 37 N -0.31 -0.18 -0.34 1.13 3.11 -0.78 1.86 116.57 121.06 1wgw h LYS 37 Ca 0.14 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.10 1wgw h LYS 37 Cb 0.55 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1wgw h LYS 37 CO -0.49 -0.12 0.31 0.93 -2.81 0.00 0.00 179.45 177.27 1wgw h GLU 38 N -0.18 0.00 0.00 1.90 4.39 -0.91 0.91 114.58 120.69 1wgw h GLU 38 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1wgw h GLU 38 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1wgw h GLU 38 CO -0.68 0.00 -0.12 0.28 -1.16 0.00 0.00 179.01 177.32 1wgw h VAL 39 N 0.00 0.00 -1.74 3.13 2.07 0.39 -3.17 116.25 116.93 1wgw h VAL 39 Ca 0.16 -0.67 0.50 0.00 0.82 0.00 0.00 66.70 67.52 1wgw h VAL 39 Cb 0.78 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1wgw h VAL 39 CO -0.00 0.00 1.27 0.00 0.02 0.00 0.00 177.57 178.86 1wgw h THR 41 N 0.00 0.79 -0.59 0.00 2.02 -0.92 -0.94 112.91 113.27 1wgw h THR 41 Ca 0.82 -0.59 0.11 0.00 0.77 0.00 0.00 66.41 67.53 1wgw h THR 41 Cb 3.37 1.11 -0.12 0.00 -1.74 0.00 0.00 68.15 70.77 1wgw h THR 41 CO -0.01 0.12 -0.25 0.00 0.37 0.00 0.00 175.52 175.76 1wgw h ALA 42 N -0.03 0.18 -0.28 6.16 0.00 0.14 1.46 119.26 126.88 1wgw h ALA 42 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wgw h ALA 42 Cb 0.46 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1wgw h ALA 42 CO 0.06 -0.56 0.08 -0.07 0.00 0.00 0.00 179.25 178.76 1wgw h LEU 43 N -0.10 0.06 -1.20 0.00 -0.00 -1.41 0.88 115.31 113.55 1wgw h LEU 43 Ca 0.27 0.04 0.02 0.00 -0.00 0.00 0.00 57.88 58.20 1wgw h LEU 43 Cb 0.51 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 1wgw h LEU 43 CO -0.66 0.07 0.54 -0.07 -0.00 0.00 0.00 178.44 178.33 1wgw h LEU 44 N 0.19 0.92 0.00 1.67 3.38 0.83 0.34 115.31 122.63 1wgw h LEU 44 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wgw h LEU 44 Cb 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1wgw h LEU 44 CO -0.15 0.65 0.00 -0.62 0.09 0.00 0.00 178.44 178.41 1wgw n GLU 45 N -4.43 1.00 -0.10 1.13 1.02 0.47 -3.64 120.64 116.09 1wgw n GLU 45 Ca 0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1wgw n GLU 45 Cb 0.06 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.82 0.91 0.00 0.62 0.00 0.11 -5.02 120.51 116.31 1wgw n ALA 46 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1wgw n ALA 46 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -4.43 0.00 -4.06 0.00 8.00 -0.61 -5.10 116.55 110.36 1wgw n ASP 47 Ca -0.23 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 54.90 1wgw n ASP 47 Cb 0.58 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.02 -2.70 2.53 0.31 -1.18 -4.86 118.33 112.46 1wgw n VAL 48 Ca 0.00 -0.49 -0.39 0.00 -0.01 0.00 0.00 64.34 63.44 1wgw n VAL 48 Cb 0.00 -0.02 -0.06 0.00 -0.91 0.00 0.00 33.84 32.85 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 -1.03 7.49 0.17 4.52 3.04 -1.26 -4.70 114.94 123.18 1wgw s ASN 49 Ca 0.44 1.99 -0.08 0.00 0.04 0.00 0.00 52.86 55.25 1wgw s ASN 49 Cb -0.24 -2.61 0.06 0.00 -1.54 0.00 0.00 41.25 36.92 1wgw s ASN 49 CO 0.79 0.04 1.54 -0.29 -3.04 0.00 0.00 177.10 176.14 1wgw h ILE 50 N 3.01 1.28 -0.76 -5.21 6.09 -1.97 0.60 117.51 120.54 1wgw h ILE 50 Ca -0.46 -1.49 -0.01 0.00 -1.37 0.00 0.00 64.86 61.53 1wgw h ILE 50 Cb 1.20 1.34 -0.04 0.00 0.47 0.00 0.00 36.82 39.79 1wgw h ILE 50 CO 0.67 0.50 0.43 0.11 -3.07 0.00 0.00 178.15 176.79 1wgw h LYS 51 N 0.71 1.05 0.12 2.19 6.56 -1.99 -0.79 116.57 124.41 1wgw h LYS 51 Ca 0.07 -0.11 -0.22 0.00 -1.06 0.00 0.00 60.65 59.33 1wgw h LYS 51 Cb 0.89 -0.21 0.02 0.00 -0.57 0.00 0.00 32.23 32.36 1wgw h LYS 51 CO 0.08 0.76 -0.94 1.37 -2.06 0.00 0.00 179.45 178.66 1wgw h LEU 52 N 1.06 0.63 -2.24 2.94 8.10 -1.89 -3.12 115.31 120.79 1wgw h LEU 52 Ca 0.27 -0.87 0.03 0.00 0.11 0.00 0.00 57.88 57.42 1wgw h LEU 52 Cb 0.01 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.02 1wgw h LEU 52 CO -0.05 1.44 0.25 0.58 -4.11 0.00 0.00 178.44 176.56 1wgw h VAL 53 N -0.09 0.18 0.00 0.15 2.07 0.60 1.55 116.25 120.71 1wgw h VAL 53 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1wgw h VAL 53 Cb 1.69 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1wgw h VAL 53 CO 0.18 0.00 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 -1.09 -3.04 116.57 115.59 1wgw h LYS 54 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1wgw h LYS 54 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1wgw h LYS 54 CO -0.00 0.00 -1.18 1.04 -0.57 0.00 0.00 179.45 178.74 1wgw n GLN 55 N -2.68 0.40 -0.05 3.15 1.13 0.52 -4.12 117.38 115.73 1wgw n GLN 55 Ca 0.05 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 1wgw n GLN 55 Cb 0.48 -1.62 -0.11 0.00 0.11 0.00 0.00 30.24 29.09 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 -0.01 -0.60 1.08 6.46 -1.14 -2.30 115.31 118.79 1wgw h LEU 56 Ca 0.00 -0.79 0.10 0.00 -0.12 0.00 0.00 57.88 57.07 1wgw h LEU 56 Cb 0.82 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.64 1wgw h LEU 56 CO 0.00 0.82 -0.35 0.08 -0.62 0.00 0.00 178.44 178.37 1wgw h ARG 57 N -0.88 -0.16 0.70 1.25 0.11 -1.71 0.70 114.38 114.40 1wgw h ARG 57 Ca -0.00 0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1wgw h ARG 57 Cb 0.80 0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.93 1wgw h ARG 57 CO 0.00 -0.11 -0.34 1.05 0.10 0.00 0.00 179.97 180.68 1wgw h GLU 58 N -0.16 -0.91 -1.17 0.08 4.11 -1.72 0.29 114.58 115.11 1wgw h GLU 58 Ca 0.23 0.06 0.34 0.00 0.07 0.00 0.00 59.36 60.06 1wgw h GLU 58 Cb 0.55 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1wgw h GLU 58 CO -0.69 -0.59 0.83 -0.91 0.07 0.00 0.00 179.01 177.72 1wgw h ASN 59 N -0.98 0.05 0.08 3.06 2.35 -0.71 0.77 115.58 120.19 1wgw h ASN 59 Ca -0.10 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1wgw h ASN 59 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1wgw h ASN 59 CO 0.16 0.01 -0.04 0.58 -1.65 0.00 0.00 177.43 176.49 1wgw h VAL 60 N 0.04 0.00 -0.97 2.81 2.07 0.12 -2.68 116.25 117.63 1wgw h VAL 60 Ca 0.57 -0.35 0.29 0.00 0.82 0.00 0.00 66.70 68.03 1wgw h VAL 60 Cb 2.18 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.81 1wgw h VAL 60 CO -0.04 0.00 0.49 0.11 0.02 0.00 0.00 177.57 178.15 1wgw h LYS 61 N -0.46 0.31 -0.94 1.57 1.57 0.63 1.43 116.57 120.67 1wgw h LYS 61 Ca -0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1wgw h LYS 61 Cb 0.08 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 1wgw h LYS 61 CO 0.02 0.21 0.62 1.03 -0.57 0.00 0.00 179.45 180.76 1wgw h SER 62 N 0.32 1.09 0.23 0.86 0.87 0.41 0.19 113.55 117.52 1wgw h SER 62 Ca 0.68 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 1wgw h SER 62 Cb 1.50 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1wgw h SER 62 CO -0.61 0.79 0.00 0.00 -0.53 0.00 0.00 176.83 176.49 1wgw n ALA 63 N -2.39 1.24 -2.00 6.23 0.00 0.49 -4.58 120.51 119.49 1wgw n ALA 63 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wgw n ALA 63 Cb 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.07 0.00 0.00 0.00 2.08 0.67 -5.08 119.36 114.95 1wgw n ILE 64 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1wgw n ILE 64 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 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 -0.32 4.38 2.03 -1.25 -5.01 116.55 116.37 1wgw n ASP 65 Ca 0.00 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.54 1wgw n ASP 65 Cb 0.00 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.22 -1.35 -2.67 3.38 -1.96 1.06 115.31 113.99 1wgw h LEU 66 Ca 0.00 0.23 0.45 0.00 0.09 0.00 0.00 57.88 58.65 1wgw h LEU 66 Cb 0.00 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.86 1wgw h LEU 66 CO 0.00 -0.26 0.84 1.05 0.09 0.00 0.00 178.44 180.16 1wgw h GLU 67 N 0.16 0.04 -2.79 1.13 4.11 -1.99 -1.46 114.58 113.79 1wgw h GLU 67 Ca 0.72 -0.00 -0.64 0.00 0.07 0.00 0.00 59.36 59.50 1wgw h GLU 67 Cb 1.68 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 30.52 1wgw h GLU 67 CO -0.71 0.03 -0.41 0.39 0.07 0.00 0.00 179.01 178.38 1wgw n GLU 68 N -4.77 2.39 -3.15 1.06 1.02 0.37 -4.96 120.64 112.59 1wgw n GLU 68 Ca 0.39 -4.56 0.04 0.00 -0.02 0.00 0.00 57.16 53.00 1wgw n GLU 68 Cb 1.48 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1wgw n GLU 68 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wgw s MET 69 N -1.91 0.56 -0.14 3.49 -1.94 -0.55 -4.91 119.30 113.90 1wgw s MET 69 Ca 0.31 0.69 -0.21 0.00 -1.71 0.00 0.00 55.69 54.77 1wgw s MET 69 Cb 0.03 0.34 -0.19 0.00 2.01 0.00 0.00 34.83 37.02 1wgw s MET 69 CO -0.09 -0.91 0.49 0.00 -0.01 0.00 0.00 175.02 174.50 1wgw h ALA 70 N 8.00 0.03 0.00 3.03 0.00 -1.93 -3.50 119.26 124.90 1wgw h ALA 70 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wgw h ALA 70 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wgw h ALA 70 CO 0.19 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1wgw n SER 71 N -4.63 0.00 0.00 0.00 7.64 -1.26 -5.09 113.62 110.28 1wgw n SER 71 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wgw n SER 71 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.05 4.00 0.26 0.23 0.00 -1.26 -4.98 105.19 103.38 1wgw n GLY 72 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.94 -0.57 0.99 -0.00 -2.01 -3.11 115.31 111.55 1wgw h LEU 73 Ca 0.00 -0.43 0.11 0.00 -0.00 0.00 0.00 57.88 57.57 1wgw h LEU 73 Cb 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 40.66 40.28 1wgw h LEU 73 CO 0.00 1.21 -0.21 0.78 -0.00 0.00 0.00 178.44 180.21 1wgw h ASN 74 N 0.72 -0.76 -0.43 -0.43 2.35 -1.98 -1.02 115.58 114.03 1wgw h ASN 74 Ca 0.06 0.19 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1wgw h ASN 74 Cb 0.97 0.44 -0.05 0.00 0.05 0.00 0.00 38.32 39.72 1wgw h ASN 74 CO 0.09 -0.24 -0.26 0.29 -1.65 0.00 0.00 177.43 175.66 1wgw n LYS 75 N -5.43 -0.19 -0.31 0.81 4.01 -1.17 0.17 118.16 116.05 1wgw n LYS 75 Ca 0.06 1.17 0.17 0.00 -0.51 0.00 0.00 58.31 59.20 1wgw n LYS 75 Cb 0.33 -1.74 0.43 0.00 -0.51 0.00 0.00 35.03 33.54 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 0.55 0.00 1.97 -0.00 -1.40 0.62 114.38 116.12 1wgw h ARG 76 Ca 0.07 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1wgw h ARG 76 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1wgw h ARG 76 CO -0.41 0.36 0.00 1.63 0.00 0.00 0.00 179.97 181.55 1wgw n LYS 77 N -4.64 0.00 -0.10 0.04 4.76 0.44 0.12 118.16 118.79 1wgw n LYS 77 Ca 0.22 0.41 0.26 0.00 -2.87 0.00 0.00 58.31 56.34 1wgw n LYS 77 Cb 0.67 -1.26 0.67 0.00 -1.84 0.00 0.00 35.03 33.27 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 0.11 1.97 -0.00 0.17 1.02 114.93 118.20 1wgw h MET 78 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.41 1wgw h MET 78 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 31.63 1wgw h MET 78 CO 0.00 0.00 -1.20 0.82 -0.00 0.00 0.00 176.91 176.53 1wgw h ILE 79 N 0.00 1.29 0.00 -0.10 2.04 0.34 0.38 117.51 121.46 1wgw h ILE 79 Ca 0.37 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.79 1wgw h ILE 79 Cb 1.90 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 40.67 1wgw h ILE 79 CO -0.00 0.74 -0.03 0.06 0.00 0.00 0.00 178.15 178.92 1wgw h GLN 80 N 0.25 0.00 0.03 2.37 -0.00 0.52 -2.51 115.11 115.76 1wgw h GLN 80 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.16 1wgw h GLN 80 Cb 1.88 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 29.32 1wgw h GLN 80 CO 0.23 0.03 -1.71 1.58 -0.00 0.00 0.00 178.83 178.96 1wgw n HIS 81 N -3.25 0.86 -0.29 0.06 -0.00 -0.51 -3.52 115.22 108.57 1wgw n HIS 81 Ca -0.02 0.30 0.08 0.00 0.46 0.00 0.00 57.72 58.55 1wgw n HIS 81 Cb 0.19 -1.09 0.20 0.00 -0.12 0.00 0.00 29.99 29.16 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 -0.41 0.91 -0.12 1.57 0.00 -0.66 0.64 119.26 121.19 1wgw h ALA 82 Ca -0.44 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wgw h ALA 82 Cb 1.56 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1wgw h ALA 82 CO -0.17 -0.46 0.05 0.28 0.00 0.00 0.00 179.25 178.95 1wgw h VAL 83 N 0.08 1.13 -0.75 0.00 2.07 -1.63 -2.32 116.25 114.82 1wgw h VAL 83 Ca 0.48 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 67.74 1wgw h VAL 83 Cb 0.89 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1wgw h VAL 83 CO -0.77 0.12 0.50 -0.26 0.02 0.00 0.00 177.57 177.18 1wgw h PHE 84 N 0.05 0.55 -0.47 1.57 -1.00 -0.04 0.13 116.94 117.72 1wgw h PHE 84 Ca 0.04 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1wgw h PHE 84 Cb 0.15 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1wgw h PHE 84 CO -0.02 0.22 0.27 -0.22 -1.61 0.00 0.00 178.31 176.95 1wgw h LYS 85 N 0.48 0.65 0.00 1.51 3.11 0.44 0.57 116.57 123.33 1wgw h LYS 85 Ca 0.37 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1wgw h LYS 85 Cb 0.75 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 1wgw h LYS 85 CO -0.13 0.49 0.00 0.39 -2.81 0.00 0.00 179.45 177.40 1wgw n GLU 86 N -4.69 0.04 0.00 1.90 4.71 -0.01 -4.04 120.64 118.55 1wgw n GLU 86 Ca 0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 1wgw n GLU 86 Cb 0.07 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.00 1wgw n GLU 86 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1wgw n LEU 87 N -1.45 0.02 0.00 -4.62 4.77 0.07 -4.92 117.00 110.87 1wgw n LEU 87 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1wgw n LEU 87 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1wgw n LEU 87 CO 0.11 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.69 1wgw n VAL 88 N -0.02 0.00 -0.01 4.08 0.31 -0.46 -4.68 118.33 117.54 1wgw n VAL 88 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1wgw n VAL 88 Cb 0.00 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 32.79 1wgw n VAL 88 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wgw n LYS 89 N -2.00 1.59 0.16 5.55 4.76 -1.26 -4.62 118.16 122.34 1wgw n LYS 89 Ca 0.00 0.01 0.01 0.00 -2.87 0.00 0.00 58.31 55.46 1wgw n LYS 89 Cb 0.00 -1.05 0.31 0.00 -1.84 0.00 0.00 35.03 32.45 1wgw n LYS 89 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1wgw h VAL 90 N 0.00 1.29 -3.56 -0.18 2.07 -1.91 -3.33 116.25 110.63 1wgw h VAL 90 Ca -0.06 -1.40 -0.79 0.00 0.82 0.00 0.00 66.70 65.27 1wgw h VAL 90 Cb 1.10 1.72 -0.27 0.00 -1.52 0.00 0.00 31.29 32.32 1wgw h VAL 90 CO -0.00 0.40 0.42 -0.75 0.02 0.00 0.00 177.57 177.66 1wgw s LYS 91 N -4.14 4.08 0.49 1.57 2.47 -1.26 -4.77 119.74 118.18 1wgw s LYS 91 Ca -0.03 -3.04 0.00 0.00 -1.56 0.00 0.00 55.97 51.33 1wgw s LYS 91 Cb 0.14 -4.55 0.00 0.00 -1.46 0.00 0.00 37.83 31.96 1wgw s LYS 91 CO 0.74 -1.27 0.00 1.55 0.16 0.00 0.00 175.35 176.53 1wgw n VAL 92 N 3.03 0.00 -0.07 4.02 3.14 -1.25 -4.61 118.33 122.59 1wgw n VAL 92 Ca 0.22 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.52 1wgw n VAL 92 Cb 0.41 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.11 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 -0.42 0.00 -3.37 1.45 0.18 -1.26 -4.25 117.16 109.48 1wgw n TYR 93 Ca 0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.47 1wgw n TYR 93 Cb 0.00 -0.59 0.03 0.00 -0.38 0.00 0.00 39.34 38.40 1wgw n TYR 93 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1wgw n SER 94 N -2.69 -6.06 0.00 9.48 7.64 -1.26 -4.59 113.62 116.13 1wgw n SER 94 Ca -0.23 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1wgw n SER 94 Cb 0.84 -2.58 0.00 0.00 -1.01 0.00 0.00 64.21 61.46 1wgw n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgw n GLY 95 N -0.34 1.06 2.63 0.23 0.00 -1.26 -4.70 105.19 102.82 1wgw n GLY 95 Ca -0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 1.95 -1.71 -3.38 1.61 -0.04 -1.26 -5.01 135.00 127.15 1wgw n PRO 96 Ca 0.00 -1.36 -0.41 0.00 -0.04 0.00 0.00 63.50 61.68 1wgw n PRO 96 Cb 0.00 -1.07 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 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 -4.06 6.18 0.33 3.54 1.04 -1.26 -5.06 113.70 114.41 1wgw s SER 97 Ca 0.52 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.69 1wgw s SER 97 Cb -0.03 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.87 1wgw s SER 97 CO 0.38 -0.39 0.40 -0.55 0.98 0.00 0.00 173.24 174.07 1wgw s SER 98 N 1.75 5.74 0.00 7.02 0.15 -1.26 -5.28 113.70 121.82 1wgw s SER 98 Ca 0.12 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1wgw s SER 98 Cb -0.17 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1wgw s SER 98 CO 0.12 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.77