#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 -7.95 -4.84 1.61 7.64 -1.26 -4.88 113.62 103.94 1wgw n SER 2 Ca 0.00 0.81 -0.26 0.00 1.01 0.00 0.00 58.87 60.43 1wgw n SER 2 Cb 0.00 -4.32 -0.05 0.00 -1.01 0.00 0.00 64.21 58.83 1wgw n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgw s SER 3 N -6.78 5.72 0.11 6.43 0.01 -1.26 -5.10 113.70 112.84 1wgw s SER 3 Ca 0.00 -0.06 -0.22 0.00 1.31 0.00 0.00 55.95 56.97 1wgw s SER 3 Cb 0.00 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1wgw s SER 3 CO 0.00 0.06 0.67 -0.83 0.41 0.00 0.00 173.24 173.55 1wgw s GLY 4 N -3.19 2.79 0.06 3.44 0.00 -1.26 -4.98 107.32 104.17 1wgw s GLY 4 Ca 0.32 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 1wgw s GLY 4 CO 0.25 0.67 -0.03 1.44 0.00 0.00 0.00 173.10 175.44 1wgw n SER 5 N 1.72 0.93 -1.62 1.64 7.64 -1.26 -5.12 113.62 117.55 1wgw n SER 5 Ca -0.08 0.12 -0.00 0.00 1.01 0.00 0.00 58.87 59.92 1wgw n SER 5 Cb 0.50 -0.30 -0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1wgw n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgw n SER 6 N -3.34 -2.36 0.00 6.43 2.88 -1.26 -4.89 113.62 111.07 1wgw n SER 6 Ca -0.01 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1wgw n SER 6 Cb 0.04 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 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 0.10 1.53 5.27 0.46 0.00 -1.26 -5.02 105.19 106.27 1wgw n GLY 7 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.48 0.00 -0.47 4.61 0.00 -1.26 -4.31 120.51 118.61 1wgw n ALA 8 Ca 0.00 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.84 1wgw n ALA 8 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 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 0.09 0.00 0.00 5.19 -1.99 -1.15 116.42 118.55 1wgw h ASP 9 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1wgw h ASP 9 Cb 0.00 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1wgw h ASP 9 CO 0.00 -0.02 0.00 0.18 -3.12 0.00 0.00 179.24 176.28 1wgw n LEU 10 N -4.23 0.05 -0.29 1.55 4.77 -1.26 -2.11 117.00 115.48 1wgw n LEU 10 Ca 0.33 0.70 0.33 0.00 -0.03 0.00 0.00 56.01 57.35 1wgw n LEU 10 Cb 1.49 -0.21 0.58 0.00 -2.33 0.00 0.00 43.42 42.94 1wgw n LEU 10 CO 0.37 -0.21 1.31 1.23 -1.33 0.00 0.00 177.39 178.75 1wgw h GLY 11 N 0.00 0.00 0.67 -0.72 0.00 -1.64 0.20 103.07 101.58 1wgw h GLY 11 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1wgw h GLY 11 CO 0.00 0.00 -0.32 3.21 0.00 0.00 0.00 176.54 179.43 1wgw h ARG 12 N 0.00 -0.87 -0.48 4.80 3.08 -0.92 1.53 114.38 121.53 1wgw h ARG 12 Ca 0.56 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.75 1wgw h ARG 12 Cb 2.86 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 33.01 1wgw h ARG 12 CO -0.01 -0.58 -0.41 0.87 -1.07 0.00 0.00 179.97 178.78 1wgw h LYS 13 N -0.99 -0.26 0.19 0.04 1.57 -0.05 0.66 116.57 117.72 1wgw h LYS 13 Ca -0.09 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1wgw h LYS 13 Cb 0.69 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1wgw h LYS 13 CO 0.15 -0.17 -0.12 0.82 -0.57 0.00 0.00 179.45 179.56 1wgw h ILE 14 N -0.27 0.75 -0.99 1.86 2.04 -1.49 -2.35 117.51 117.06 1wgw h ILE 14 Ca 0.17 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.32 1wgw h ILE 14 Cb 0.57 0.75 -0.18 0.00 -0.74 0.00 0.00 36.82 37.21 1wgw h ILE 14 CO -0.62 0.00 0.09 0.74 0.00 0.00 0.00 178.15 178.36 1wgw h THR 15 N -0.30 0.01 -0.59 -0.27 2.02 0.38 1.52 112.91 115.69 1wgw h THR 15 Ca -0.02 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1wgw h THR 15 Cb 0.25 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.62 1wgw h THR 15 CO 0.01 0.00 0.33 0.28 0.37 0.00 0.00 175.52 176.52 1wgw h SER 16 N 0.01 0.51 0.60 4.18 0.02 -0.39 0.21 113.55 118.69 1wgw h SER 16 Ca 0.63 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.58 1wgw h SER 16 Cb 1.37 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1wgw h SER 16 CO -0.91 0.35 -0.37 0.00 -1.14 0.00 0.00 176.83 174.76 1wgw h ALA 17 N 1.29 -1.18 -0.34 3.77 0.00 0.23 -0.76 119.26 122.26 1wgw h ALA 17 Ca 0.25 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1wgw h ALA 17 Cb 0.10 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wgw h ALA 17 CO -0.14 -1.15 0.44 -0.07 0.00 0.00 0.00 179.25 178.33 1wgw h LEU 18 N -0.91 0.00 0.11 0.00 3.38 -0.97 0.76 115.31 117.68 1wgw h LEU 18 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1wgw h LEU 18 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1wgw h LEU 18 CO 0.08 0.00 -0.05 -0.09 0.09 0.00 0.00 178.44 178.47 1wgw h ARG 19 N 0.00 -0.14 -1.10 1.13 2.43 0.76 -2.64 114.38 114.82 1wgw h ARG 19 Ca 0.16 0.01 0.34 0.00 -0.81 0.00 0.00 59.98 59.68 1wgw h ARG 19 Cb 1.03 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.48 1wgw h ARG 19 CO -0.00 0.19 0.67 1.03 -1.51 0.00 0.00 179.97 180.35 1wgw h SER 20 N -0.48 0.43 0.57 -3.80 0.87 0.47 0.19 113.55 111.79 1wgw h SER 20 Ca -0.01 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1wgw h SER 20 Cb 0.40 0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1wgw h SER 20 CO 0.02 -0.10 -0.28 -0.07 -0.53 0.00 0.00 176.83 175.88 1wgw h LEU 21 N 0.27 -0.65 -1.54 2.23 3.38 -1.45 0.14 115.31 117.68 1wgw h LEU 21 Ca 0.73 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.84 1wgw h LEU 21 Cb 1.89 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.79 1wgw h LEU 21 CO -0.48 -0.37 0.67 -1.28 0.09 0.00 0.00 178.44 177.07 1wgw h SER 22 N -0.97 0.00 -0.57 -0.43 0.87 -0.61 1.43 113.55 113.27 1wgw h SER 22 Ca -0.08 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.07 1wgw h SER 22 Cb 0.59 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.25 1wgw h SER 22 CO 0.13 0.00 -0.59 0.59 -0.53 0.00 0.00 176.83 176.43 1wgw n ASN 23 N -3.28 4.22 -4.98 6.23 3.02 0.44 -5.03 115.26 115.88 1wgw n ASN 23 Ca 0.08 -3.79 -0.18 0.00 -0.03 0.00 0.00 54.58 50.66 1wgw n ASN 23 Cb 0.83 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 -3.51 4.44 0.00 5.41 0.00 0.49 -4.88 121.76 123.71 1wgw s ALA 24 Ca 0.49 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1wgw s ALA 24 Cb 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1wgw s ALA 24 CO 0.01 -0.27 0.00 2.41 0.00 0.00 0.00 175.76 177.91 1wgw n THR 25 N -1.79 0.00 0.03 0.00 -1.04 -1.26 -4.89 114.28 105.33 1wgw n THR 25 Ca 0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.03 1wgw n THR 25 Cb 0.60 -0.51 -0.03 0.00 -1.82 0.00 0.00 70.33 68.56 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 0.28 -5.42 12.58 5.03 -1.97 -3.49 117.51 124.51 1wgw h ILE 26 Ca 0.00 -1.02 0.01 0.00 -0.12 0.00 0.00 64.86 63.73 1wgw h ILE 26 Cb 0.53 0.50 -0.09 0.00 -3.03 0.00 0.00 36.82 34.73 1wgw h ILE 26 CO 0.00 0.08 -1.05 -0.38 -0.68 0.00 0.00 178.15 176.13 1wgw n ILE 27 N -4.89 -8.74 -2.84 -0.67 2.08 -1.26 -5.05 119.36 97.99 1wgw n ILE 27 Ca -0.04 1.81 0.00 0.00 0.56 0.00 0.00 62.75 65.08 1wgw n ILE 27 Cb 0.14 -5.14 0.00 0.00 -0.75 0.00 0.00 39.64 33.89 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 1.98 0.00 -0.31 4.38 0.23 -1.26 -4.99 115.26 115.29 1wgw n ASN 28 Ca -0.27 -0.67 0.03 0.00 -0.53 0.00 0.00 54.58 53.13 1wgw n ASN 28 Cb 0.43 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.34 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 1.05 0.72 -3.83 4.81 -1.95 -2.67 114.58 112.71 1wgw h GLU 29 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1wgw h GLU 29 Cb 0.00 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1wgw h GLU 29 CO 0.00 0.70 -0.41 1.49 -0.73 0.00 0.00 179.01 180.06 1wgw h GLU 30 N 1.08 -1.01 -0.35 1.92 4.57 -1.97 0.55 114.58 119.37 1wgw h GLU 30 Ca 0.37 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.66 1wgw h GLU 30 Cb 0.11 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1wgw h GLU 30 CO -0.13 -0.68 -0.21 0.28 -1.18 0.00 0.00 179.01 177.10 1wgw n VAL 31 N -5.56 -0.24 -0.05 0.32 0.31 -1.02 0.21 118.33 112.30 1wgw n VAL 31 Ca -0.14 1.80 -0.12 0.00 -0.01 0.00 0.00 64.34 65.86 1wgw n VAL 31 Cb 0.44 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 30.99 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 -1.48 -0.68 7.52 6.46 -1.47 1.49 115.31 127.15 1wgw h LEU 32 Ca 0.06 0.20 0.14 0.00 -0.12 0.00 0.00 57.88 58.15 1wgw h LEU 32 Cb 0.14 0.61 -0.13 0.00 -0.73 0.00 0.00 40.66 40.56 1wgw h LEU 32 CO -0.33 -0.42 -0.14 -1.13 -0.62 0.00 0.00 178.44 175.80 1wgw h ASN 33 N -0.46 -0.57 0.84 1.25 -1.24 0.14 0.47 115.58 116.00 1wgw h ASN 33 Ca 0.08 0.20 -0.04 0.00 0.71 0.00 0.00 56.30 57.25 1wgw h ASN 33 Cb 0.63 0.40 0.01 0.00 0.73 0.00 0.00 38.32 40.09 1wgw h ASN 33 CO -0.47 -0.21 -0.40 0.00 -1.29 0.00 0.00 177.43 175.05 1wgw h ALA 34 N 1.67 -1.17 -0.95 1.57 0.00 0.47 -2.84 119.26 118.01 1wgw h ALA 34 Ca 0.33 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.26 1wgw h ALA 34 Cb 0.52 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 1wgw h ALA 34 CO -0.68 -1.08 0.09 1.98 0.00 0.00 0.00 179.25 179.55 1wgw h MET 35 N -1.26 0.05 -0.13 0.00 1.85 0.30 0.41 114.93 116.15 1wgw h MET 35 Ca -0.12 -0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.02 1wgw h MET 35 Cb 0.86 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.82 1wgw h MET 35 CO 0.19 0.03 -0.35 -0.07 -0.40 0.00 0.00 176.91 176.31 1wgw h LEU 36 N 0.05 -1.10 -1.71 3.39 3.38 0.04 1.05 115.31 120.41 1wgw h LEU 36 Ca 0.59 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.86 1wgw h LEU 36 Cb 1.23 0.46 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1wgw h LEU 36 CO -0.85 -0.38 0.64 0.50 0.09 0.00 0.00 178.44 178.43 1wgw h LYS 37 N -0.43 0.00 0.09 1.13 3.64 0.04 1.67 116.57 122.71 1wgw h LYS 37 Ca 0.09 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.14 1wgw h LYS 37 Cb 0.58 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1wgw h LYS 37 CO -0.37 0.00 -1.84 0.93 -2.27 0.00 0.00 179.45 175.91 1wgw h GLU 38 N 0.00 0.18 0.15 1.90 4.39 0.85 -3.26 114.58 118.79 1wgw h GLU 38 Ca 0.24 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1wgw h GLU 38 Cb 1.51 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1wgw h GLU 38 CO -0.00 0.97 -0.07 0.28 -1.16 0.00 0.00 179.01 179.03 1wgw h VAL 39 N 0.05 0.00 -1.00 3.13 2.07 0.77 -3.16 116.25 118.10 1wgw h VAL 39 Ca -0.35 -0.74 0.38 0.00 0.82 0.00 0.00 66.70 66.80 1wgw h VAL 39 Cb 2.03 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 31.63 1wgw h VAL 39 CO 0.10 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.24 1wgw h THR 41 N 0.12 0.21 -0.79 0.00 2.02 -1.61 0.23 112.91 113.09 1wgw h THR 41 Ca 0.81 0.00 0.15 0.00 0.77 0.00 0.00 66.41 68.14 1wgw h THR 41 Cb 2.03 0.21 -0.15 0.00 -1.74 0.00 0.00 68.15 68.50 1wgw h THR 41 CO -0.71 0.00 -0.26 0.00 0.37 0.00 0.00 175.52 174.92 1wgw h ALA 42 N -0.08 0.36 -0.01 6.16 0.00 0.34 1.24 119.26 127.27 1wgw h ALA 42 Ca 0.02 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wgw h ALA 42 Cb 0.65 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wgw h ALA 42 CO -0.22 -0.49 -0.05 -0.07 0.00 0.00 0.00 179.25 178.42 1wgw h LEU 43 N -0.04 -0.13 -2.04 0.00 -0.00 -1.04 -0.37 115.31 111.70 1wgw h LEU 43 Ca 0.35 0.02 0.07 0.00 -0.00 0.00 0.00 57.88 58.32 1wgw h LEU 43 Cb 0.59 0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1wgw h LEU 43 CO -0.83 -0.07 0.18 -0.07 -0.00 0.00 0.00 178.44 177.66 1wgw h LEU 44 N -0.08 0.00 -0.31 1.67 3.38 0.31 0.84 115.31 121.12 1wgw h LEU 44 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wgw h LEU 44 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wgw h LEU 44 CO -0.06 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.85 1wgw n GLU 45 N -4.37 1.21 0.00 1.13 1.02 0.38 -4.27 120.64 115.73 1wgw n GLU 45 Ca 0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 1wgw n GLU 45 Cb 0.33 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 -0.47 0.09 0.00 0.62 0.00 0.29 -5.03 120.51 116.01 1wgw n ALA 46 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wgw n ALA 46 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.32 0.00 -4.09 0.00 -0.08 -1.07 -5.11 116.55 104.87 1wgw n ASP 47 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1wgw n ASP 47 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1wgw n ASP 47 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wgw s VAL 48 N 0.00 0.22 0.29 5.18 0.11 -1.26 -5.06 120.40 119.88 1wgw s VAL 48 Ca 0.00 -1.79 -0.20 0.00 -2.93 0.00 0.00 61.98 57.06 1wgw s VAL 48 Cb 0.00 -1.51 -0.09 0.00 -1.53 0.00 0.00 36.38 33.25 1wgw s VAL 48 CO 0.00 -0.99 0.80 0.21 -3.33 0.00 0.00 175.10 171.79 1wgw s ASN 49 N -2.90 7.04 0.24 3.54 2.47 -1.26 -4.84 114.94 119.22 1wgw s ASN 49 Ca 0.07 1.51 -0.07 0.00 0.42 0.00 0.00 52.86 54.79 1wgw s ASN 49 Cb 0.08 -2.46 0.22 0.00 -1.45 0.00 0.00 41.25 37.64 1wgw s ASN 49 CO -0.10 -0.09 1.88 -0.29 -3.72 0.00 0.00 177.10 174.78 1wgw h ILE 50 N 2.44 1.26 -0.75 -5.21 6.09 -1.99 0.53 117.51 119.88 1wgw h ILE 50 Ca -0.48 -0.60 -0.05 0.00 -1.37 0.00 0.00 64.86 62.37 1wgw h ILE 50 Cb 1.19 -0.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.41 1wgw h ILE 50 CO 0.65 0.28 0.27 0.11 -3.07 0.00 0.00 178.15 176.39 1wgw h LYS 51 N 1.30 1.13 -0.14 2.19 6.56 -1.98 0.50 116.57 126.13 1wgw h LYS 51 Ca 0.33 -0.22 -0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1wgw h LYS 51 Cb -0.02 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 31.46 1wgw h LYS 51 CO -0.06 0.94 -0.13 -0.07 -2.06 0.00 0.00 179.45 178.07 1wgw h LEU 52 N 1.10 0.35 -2.11 2.94 3.38 -1.69 -2.45 115.31 116.83 1wgw h LEU 52 Ca 0.25 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wgw h LEU 52 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wgw h LEU 52 CO -0.02 0.76 0.00 0.58 0.09 0.00 0.00 178.44 179.85 1wgw h VAL 53 N -0.04 0.00 0.00 1.22 2.07 0.31 0.28 116.25 120.09 1wgw h VAL 53 Ca 0.02 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1wgw h VAL 53 Cb 0.66 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1wgw h VAL 53 CO 0.03 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 177.33 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 -0.43 -2.97 116.57 116.31 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 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1wgw h LYS 54 CO 0.00 0.33 -0.89 1.04 -0.57 0.00 0.00 179.45 179.35 1wgw n GLN 55 N -3.16 0.33 -0.06 3.15 1.13 0.88 -4.04 117.38 115.61 1wgw n GLN 55 Ca 0.02 0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 54.98 1wgw n GLN 55 Cb 0.67 -1.65 -0.13 0.00 0.11 0.00 0.00 30.24 29.25 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 -0.55 1.08 6.46 -1.22 -2.56 115.31 118.53 1wgw h LEU 56 Ca 0.00 -0.92 0.10 0.00 -0.12 0.00 0.00 57.88 56.94 1wgw h LEU 56 Cb 0.77 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.59 1wgw h LEU 56 CO 0.00 0.93 -0.33 0.08 -0.62 0.00 0.00 178.44 178.50 1wgw h ARG 57 N -0.91 -0.18 0.70 1.25 0.11 -1.68 0.97 114.38 114.64 1wgw h ARG 57 Ca -0.00 0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 1wgw h ARG 57 Cb 0.93 0.04 0.01 0.00 1.11 0.00 0.00 29.97 32.06 1wgw h ARG 57 CO 0.00 -0.12 -0.34 1.05 0.10 0.00 0.00 179.97 180.66 1wgw h GLU 58 N -0.18 -0.91 -1.07 0.08 4.11 -1.70 0.53 114.58 115.44 1wgw h GLU 58 Ca 0.22 0.06 0.31 0.00 0.07 0.00 0.00 59.36 60.02 1wgw h GLU 58 Cb 0.55 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1wgw h GLU 58 CO -0.65 -0.61 1.00 -0.91 0.07 0.00 0.00 179.01 177.91 1wgw h ASN 59 N -0.95 0.00 0.00 3.06 2.35 -0.89 1.65 115.58 120.80 1wgw h ASN 59 Ca -0.09 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.50 1wgw h ASN 59 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 1wgw h ASN 59 CO 0.15 0.00 -0.89 0.58 -1.65 0.00 0.00 177.43 175.62 1wgw h VAL 60 N 0.00 1.11 0.00 2.81 2.07 0.33 -3.33 116.25 119.24 1wgw h VAL 60 Ca 0.51 -2.17 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1wgw h VAL 60 Cb 2.50 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 34.71 1wgw h VAL 60 CO -0.01 0.38 -0.00 0.11 0.02 0.00 0.00 177.57 178.07 1wgw h LYS 61 N -1.00 0.00 0.00 1.57 1.57 0.53 0.43 116.57 119.67 1wgw h LYS 61 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1wgw h LYS 61 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1wgw h LYS 61 CO -0.15 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.17 1wgw n SER 62 N -3.24 0.00 -0.24 0.86 7.64 0.51 -2.30 113.62 116.85 1wgw n SER 62 Ca -0.03 -0.84 0.09 0.00 1.01 0.00 0.00 58.87 59.09 1wgw n SER 62 Cb 0.08 -0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.44 1wgw n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgw n ALA 63 N -1.00 2.66 -3.33 -0.43 0.00 0.15 -5.02 120.51 113.54 1wgw n ALA 63 Ca 0.20 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.85 1wgw n ALA 63 Cb 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.33 0.00 0.02 0.00 2.08 -0.97 -4.93 119.36 114.23 1wgw n ILE 64 Ca 0.17 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.48 1wgw n ILE 64 Cb 0.67 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.56 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 -0.86 -0.35 0.00 4.38 -0.08 -1.26 -5.03 116.55 113.34 1wgw n ASP 65 Ca 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1wgw n ASP 65 Cb 0.00 0.70 0.00 0.00 2.34 0.00 0.00 41.12 44.16 1wgw n ASP 65 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wgw n LEU 66 N -2.42 0.00 0.00 -2.67 4.32 -1.26 -4.51 117.00 110.47 1wgw n LEU 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1wgw n LEU 66 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1wgw n LEU 66 CO 0.00 0.00 0.48 -0.62 -1.22 0.00 0.00 177.39 176.03 1wgw n GLU 67 N 0.00 0.00 -2.97 3.23 1.02 -1.26 -2.84 120.64 117.82 1wgw n GLU 67 Ca 0.00 0.91 -0.44 0.00 -0.02 0.00 0.00 57.16 57.61 1wgw n GLU 67 Cb 0.00 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 29.95 1wgw n GLU 67 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1wgw s GLU 68 N -2.84 4.03 -0.30 3.49 2.12 -1.26 -4.88 118.70 119.05 1wgw s GLU 68 Ca 0.00 -2.51 -0.02 0.00 0.36 0.00 0.00 54.97 52.80 1wgw s GLU 68 Cb 0.00 -5.01 0.12 0.00 0.26 0.00 0.00 34.13 29.50 1wgw s GLU 68 CO 0.00 -1.73 0.20 -1.64 -0.54 0.00 0.00 175.26 171.55 1wgw s MET 69 N 1.54 0.27 0.00 4.30 -1.94 -1.13 -5.00 119.30 117.34 1wgw s MET 69 Ca 0.40 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.92 1wgw s MET 69 Cb -0.04 -0.99 0.00 0.00 2.01 0.00 0.00 34.83 35.81 1wgw s MET 69 CO -0.02 -1.04 0.83 0.00 -0.01 0.00 0.00 175.02 174.78 1wgw n ALA 70 N 5.16 -0.13 0.00 3.03 0.00 -1.26 -4.98 120.51 122.32 1wgw n ALA 70 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wgw n ALA 70 Cb 0.43 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.00 0.00 0.00 0.00 7.64 -1.26 -5.08 113.62 112.92 1wgw n SER 71 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgw n SER 71 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.82 1.07 3.94 0.23 0.00 -1.26 -4.74 105.19 103.61 1wgw n GLY 72 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.46 -0.12 0.99 4.32 -1.26 -4.81 117.00 115.65 1wgw n LEU 73 Ca 0.00 -0.99 -0.25 0.00 -0.02 0.00 0.00 56.01 54.74 1wgw n LEU 73 Cb 0.00 -1.22 -0.09 0.00 -1.62 0.00 0.00 43.42 40.49 1wgw n LEU 73 CO 0.00 0.48 -1.12 0.59 -1.22 0.00 0.00 177.39 176.11 1wgw n ASN 74 N -1.84 1.93 -0.09 -1.43 4.13 -1.26 -3.97 115.26 112.73 1wgw n ASN 74 Ca -0.18 0.37 -0.02 0.00 1.68 0.00 0.00 54.58 56.42 1wgw n ASN 74 Cb 0.49 -0.85 -0.02 0.00 -1.54 0.00 0.00 39.78 37.86 1wgw n ASN 74 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wgw n LYS 75 N -4.33 -0.09 -0.34 3.52 5.02 -1.26 0.19 118.16 120.86 1wgw n LYS 75 Ca -0.44 1.09 0.21 0.00 -2.02 0.00 0.00 58.31 57.15 1wgw n LYS 75 Cb 0.78 -1.63 0.45 0.00 -0.02 0.00 0.00 35.03 34.61 1wgw n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgw h ARG 76 N 0.00 0.45 0.00 1.97 -0.00 -1.95 1.64 114.38 116.48 1wgw h ARG 76 Ca 0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1wgw h ARG 76 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 29.96 1wgw h ARG 76 CO -0.20 0.30 0.00 1.63 0.00 0.00 0.00 179.97 181.70 1wgw n LYS 77 N -4.83 0.00 0.11 0.04 4.76 0.33 -0.37 118.16 118.20 1wgw n LYS 77 Ca 0.28 0.41 0.20 0.00 -2.87 0.00 0.00 58.31 56.32 1wgw n LYS 77 Cb 0.86 -1.23 0.70 0.00 -1.84 0.00 0.00 35.03 33.52 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 0.21 1.97 -0.00 0.26 -0.14 114.93 117.23 1wgw h MET 78 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 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 -0.10 0.82 -0.00 0.00 0.00 176.91 177.63 1wgw h ILE 79 N 0.00 0.50 -0.63 -0.10 2.04 0.25 0.33 117.51 119.88 1wgw h ILE 79 Ca 0.19 -0.99 0.18 0.00 1.00 0.00 0.00 64.86 65.24 1wgw h ILE 79 Cb 1.25 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1wgw h ILE 79 CO -0.00 0.13 0.80 1.56 0.00 0.00 0.00 178.15 180.65 1wgw h GLN 80 N -0.98 0.00 0.01 2.37 4.20 0.12 0.27 115.11 121.11 1wgw h GLN 80 Ca -0.03 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 1wgw h GLN 80 Cb 0.44 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1wgw h GLN 80 CO 0.05 0.00 -1.65 1.58 -0.67 0.00 0.00 178.83 178.14 1wgw n HIS 81 N -3.38 0.80 -0.07 2.96 -0.00 -0.97 -3.42 115.22 111.14 1wgw n HIS 81 Ca 0.13 0.32 -0.08 0.00 0.46 0.00 0.00 57.72 58.55 1wgw n HIS 81 Cb 1.02 -1.08 -0.06 0.00 -0.12 0.00 0.00 29.99 29.75 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 -0.52 -0.59 0.04 1.57 0.00 0.31 1.16 119.26 121.22 1wgw h ALA 82 Ca -0.44 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1wgw h ALA 82 Cb 1.47 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 20.15 1wgw h ALA 82 CO -0.22 -0.74 -0.50 0.28 0.00 0.00 0.00 179.25 178.07 1wgw h VAL 83 N -0.24 0.05 -0.76 0.00 2.07 -1.30 -1.42 116.25 114.64 1wgw h VAL 83 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 1wgw h VAL 83 Cb 0.35 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.02 1wgw h VAL 83 CO -0.34 0.00 -0.14 -0.26 0.02 0.00 0.00 177.57 176.85 1wgw h PHE 84 N -0.67 -0.32 -0.36 1.57 -1.00 -1.39 -0.82 116.94 113.95 1wgw h PHE 84 Ca 0.02 0.07 0.04 0.00 2.81 0.00 0.00 57.97 60.90 1wgw h PHE 84 Cb 0.72 0.26 -0.05 0.00 3.61 0.00 0.00 35.95 40.48 1wgw h PHE 84 CO -0.47 -0.31 -0.33 -0.22 -1.61 0.00 0.00 178.31 175.37 1wgw h LYS 85 N 0.02 -0.14 -0.65 1.51 1.63 0.25 1.21 116.57 120.39 1wgw h LYS 85 Ca 0.38 0.01 0.14 0.00 -0.85 0.00 0.00 60.65 60.33 1wgw h LYS 85 Cb 0.61 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 32.16 1wgw h LYS 85 CO -0.76 -0.09 0.04 1.49 -3.45 0.00 0.00 179.45 176.68 1wgw h GLU 86 N -0.15 0.14 -0.50 1.90 4.22 -0.84 0.19 114.58 119.55 1wgw h GLU 86 Ca 0.06 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1wgw h GLU 86 Cb 0.30 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1wgw h GLU 86 CO -0.41 0.10 0.23 -0.07 -2.18 0.00 0.00 179.01 176.67 1wgw h LEU 87 N 0.15 0.31 0.06 1.64 3.38 0.45 -1.20 115.31 120.10 1wgw h LEU 87 Ca 0.35 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.37 1wgw h LEU 87 Cb 0.57 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1wgw h LEU 87 CO -0.53 0.21 -0.42 0.58 0.09 0.00 0.00 178.44 178.37 1wgw h VAL 88 N 0.45 0.00 -0.44 1.22 2.07 0.43 -2.50 116.25 117.48 1wgw h VAL 88 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 1wgw h VAL 88 Cb 0.17 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.86 1wgw h VAL 88 CO -0.18 0.00 -0.54 0.50 0.02 0.00 0.00 177.57 177.37 1wgw h LYS 89 N -0.58 -0.34 0.00 1.57 3.64 -0.92 -3.38 116.57 116.57 1wgw h LYS 89 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1wgw h LYS 89 Cb 0.59 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1wgw h LYS 89 CO -0.25 -0.23 0.00 1.33 -2.27 0.00 0.00 179.45 178.04 1wgw n VAL 90 N -5.27 0.00 0.00 2.00 0.24 -0.48 -4.22 118.33 110.60 1wgw n VAL 90 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1wgw n VAL 90 Cb 0.32 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 1wgw n VAL 90 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wgw n LYS 91 N -1.20 0.00 -0.78 7.34 5.02 -1.25 -4.84 118.16 122.45 1wgw n LYS 91 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1wgw n LYS 91 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.14 1wgw n LYS 91 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1wgw n VAL 92 N 0.00 0.00 -0.73 -0.18 3.14 -1.26 -4.90 118.33 114.40 1wgw n VAL 92 Ca 0.00 -0.22 -0.29 0.00 -2.96 0.00 0.00 64.34 60.87 1wgw n VAL 92 Cb 0.00 -0.60 0.12 0.00 -1.06 0.00 0.00 33.84 32.30 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 -3.73 -1.57 0.00 1.45 4.11 -1.26 -4.90 117.16 111.26 1wgw n TYR 93 Ca 0.05 0.28 0.00 0.00 -0.00 0.00 0.00 57.90 58.23 1wgw n TYR 93 Cb 0.55 -1.46 0.00 0.00 -0.00 0.00 0.00 39.34 38.43 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 0.04 0.00 0.00 9.48 2.88 -1.26 -4.91 113.62 119.84 1wgw n SER 94 Ca 0.01 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1wgw n SER 94 Cb 0.57 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.87 0.59 3.57 0.46 0.00 -1.26 -4.49 105.19 103.19 1wgw n GLY 95 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1wgw n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgw s PRO 96 N 0.00 3.15 0.39 1.61 0.04 -1.26 -4.79 135.00 134.15 1wgw s PRO 96 Ca 0.00 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.00 1wgw s PRO 96 Cb 0.00 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1wgw s PRO 96 CO 0.00 -2.89 0.00 0.43 0.04 0.00 0.00 177.00 174.58 1wgw n SER 97 N 11.32 -5.72 -4.04 6.66 7.64 -1.26 -4.93 113.62 123.30 1wgw n SER 97 Ca 0.40 0.89 -0.27 0.00 1.01 0.00 0.00 58.87 60.90 1wgw n SER 97 Cb 0.48 -3.37 -0.17 0.00 -1.01 0.00 0.00 64.21 60.15 1wgw n SER 97 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgw s SER 98 N -6.40 2.16 0.00 6.43 0.15 -1.26 -4.91 113.70 109.86 1wgw s SER 98 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wgw s SER 98 Cb 0.00 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1wgw s SER 98 CO 0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07