#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 0.05 0.33 1.61 0.15 -1.26 -5.19 113.70 109.40 1wgw s SER 2 Ca 0.00 -1.00 0.04 0.00 0.70 0.00 0.00 55.95 55.69 1wgw s SER 2 Cb 0.00 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1wgw s SER 2 CO 0.00 -1.26 0.06 -0.55 1.20 0.00 0.00 173.24 172.68 1wgw s SER 3 N -3.04 2.52 0.00 5.45 0.15 -1.26 -5.09 113.70 112.43 1wgw s SER 3 Ca 0.21 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.48 1wgw s SER 3 Cb -0.02 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1wgw s SER 3 CO 0.11 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wgw n GLY 4 N -0.72 1.50 3.63 9.45 0.00 -1.26 -5.14 105.19 112.66 1wgw n GLY 4 Ca -0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 1wgw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgw s SER 5 N 0.00 -1.02 0.00 1.61 0.15 -1.26 -5.01 113.70 108.17 1wgw s SER 5 Ca 0.00 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.17 1wgw s SER 5 Cb 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1wgw s SER 5 CO 0.00 -0.23 0.00 -0.24 1.20 0.00 0.00 173.24 173.97 1wgw n SER 6 N 4.86 0.00 0.00 5.45 2.88 -1.26 -5.11 113.62 120.44 1wgw n SER 6 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wgw n SER 6 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 -1.27 4.77 0.46 0.00 -1.26 -5.05 105.19 102.83 1wgw n GLY 7 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 0.00 -0.44 4.61 0.00 -1.26 -4.47 120.51 118.95 1wgw n ALA 8 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.81 1wgw n ALA 8 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 1wgw n ALA 8 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1wgw h ASP 9 N 0.00 0.19 0.00 0.00 3.58 -1.97 -1.15 116.42 117.07 1wgw h ASP 9 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1wgw h ASP 9 Cb 0.00 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1wgw h ASP 9 CO 0.00 -0.06 0.00 0.18 -2.88 0.00 0.00 179.24 176.48 1wgw n LEU 10 N -4.44 0.00 -0.41 2.28 4.77 -1.26 -0.21 117.00 117.73 1wgw n LEU 10 Ca 0.34 0.55 0.35 0.00 -0.03 0.00 0.00 56.01 57.22 1wgw n LEU 10 Cb 1.39 -0.05 0.68 0.00 -2.33 0.00 0.00 43.42 43.11 1wgw n LEU 10 CO 0.30 -0.05 1.30 1.23 -1.33 0.00 0.00 177.39 178.84 1wgw h GLY 11 N 0.00 0.62 1.47 -0.72 0.00 -1.74 1.41 103.07 104.11 1wgw h GLY 11 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1wgw h GLY 11 CO 0.00 -0.13 0.13 3.21 0.00 0.00 0.00 176.54 179.75 1wgw h ARG 12 N 0.12 0.67 0.74 4.80 2.47 -0.59 0.77 114.38 123.36 1wgw h ARG 12 Ca 0.69 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 59.26 1wgw h ARG 12 Cb 2.39 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 30.61 1wgw h ARG 12 CO -0.18 0.60 -0.36 0.87 0.56 0.00 0.00 179.97 181.46 1wgw h LYS 13 N 0.66 -0.96 -0.74 0.04 1.57 0.52 -2.49 116.57 115.17 1wgw h LYS 13 Ca 0.15 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1wgw h LYS 13 Cb 0.22 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1wgw h LYS 13 CO -0.01 -0.62 0.35 0.82 -0.57 0.00 0.00 179.45 179.43 1wgw h ILE 14 N -1.15 1.23 -0.61 1.86 2.04 -1.35 -2.80 117.51 116.72 1wgw h ILE 14 Ca -0.10 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.20 1wgw h ILE 14 Cb 0.78 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 37.04 1wgw h ILE 14 CO 0.17 0.28 -0.39 0.74 0.00 0.00 0.00 178.15 178.94 1wgw h THR 15 N 1.05 0.11 -0.17 -0.27 2.02 0.71 1.20 112.91 117.56 1wgw h THR 15 Ca 0.26 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.49 1wgw h THR 15 Cb 0.10 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1wgw h THR 15 CO -0.03 0.00 0.13 -1.28 0.37 0.00 0.00 175.52 174.70 1wgw h SER 16 N -0.19 0.00 0.37 4.18 0.87 -1.18 1.20 113.55 118.81 1wgw h SER 16 Ca 0.21 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1wgw h SER 16 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1wgw h SER 16 CO -0.70 0.00 -0.18 0.00 -0.53 0.00 0.00 176.83 175.42 1wgw h ALA 17 N 1.91 -0.65 -0.76 6.23 0.00 0.13 0.29 119.26 126.41 1wgw h ALA 17 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wgw h ALA 17 Cb 0.34 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1wgw h ALA 17 CO -0.00 -0.61 0.50 -0.07 0.00 0.00 0.00 179.25 179.07 1wgw h LEU 18 N -0.85 0.83 -0.98 0.00 3.38 0.05 -0.60 115.31 117.14 1wgw h LEU 18 Ca -0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1wgw h LEU 18 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wgw h LEU 18 CO 0.08 0.58 -0.24 0.03 0.09 0.00 0.00 178.44 178.98 1wgw h ARG 19 N 0.97 0.45 -0.93 1.13 2.47 0.14 -2.60 114.38 116.00 1wgw h ARG 19 Ca 0.29 -0.16 0.18 0.00 -1.26 0.00 0.00 59.98 59.03 1wgw h ARG 19 Cb -0.02 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.20 1wgw h ARG 19 CO -0.08 0.66 0.60 1.03 0.56 0.00 0.00 179.97 182.75 1wgw h SER 20 N 0.40 0.59 0.26 7.04 0.87 0.12 0.16 113.55 122.99 1wgw h SER 20 Ca 0.06 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1wgw h SER 20 Cb 0.65 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1wgw h SER 20 CO 0.05 0.24 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.40 1wgw h LEU 21 N 0.59 -0.30 -1.83 2.23 3.38 -1.40 -1.75 115.31 116.24 1wgw h LEU 21 Ca 0.50 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.79 1wgw h LEU 21 Cb 0.97 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1wgw h LEU 21 CO -0.24 -0.17 0.89 -1.28 0.09 0.00 0.00 178.44 177.73 1wgw h SER 22 N -0.43 0.00 -0.98 -0.43 0.87 -1.44 1.45 113.55 112.59 1wgw h SER 22 Ca -0.04 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.88 1wgw h SER 22 Cb 0.27 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 61.89 1wgw h SER 22 CO 0.06 0.00 0.30 0.59 -0.53 0.00 0.00 176.83 177.25 1wgw n ASN 23 N -3.88 6.74 -1.94 6.23 3.02 0.52 -4.96 115.26 120.98 1wgw n ASN 23 Ca 0.23 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1wgw n ASN 23 Cb 1.24 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1wgw n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wgw n ALA 24 N -0.82 0.00 0.00 5.41 0.00 0.50 -4.86 120.51 120.73 1wgw n ALA 24 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1wgw n ALA 24 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.19 0.00 0.19 0.00 -1.04 -1.26 -4.96 114.28 107.02 1wgw n THR 25 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1wgw n THR 25 Cb 0.00 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.29 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 -5.01 12.58 5.03 -1.98 -3.49 117.51 124.63 1wgw h ILE 26 Ca 0.00 -0.36 0.01 0.00 -0.12 0.00 0.00 64.86 64.38 1wgw h ILE 26 Cb 0.00 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.70 1wgw h ILE 26 CO 0.00 0.00 -1.30 -0.38 -0.68 0.00 0.00 178.15 175.79 1wgw n ILE 27 N -4.45-11.79 -2.88 -0.67 2.08 -1.26 -5.07 119.36 95.32 1wgw n ILE 27 Ca -0.07 2.60 0.00 0.00 0.56 0.00 0.00 62.75 65.85 1wgw n ILE 27 Cb 0.21 -6.00 0.00 0.00 -0.75 0.00 0.00 39.64 33.10 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 1.84 0.00 -0.21 4.38 0.23 -1.26 -5.00 115.26 115.24 1wgw n ASN 28 Ca -0.29 -0.70 -0.01 0.00 -0.53 0.00 0.00 54.58 53.06 1wgw n ASN 28 Cb 0.45 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.48 0.15 -3.83 4.81 -1.97 -2.53 114.58 111.69 1wgw h GLU 29 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wgw h GLU 29 Cb 0.00 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1wgw h GLU 29 CO 0.00 0.32 -0.52 1.49 -0.73 0.00 0.00 179.01 179.57 1wgw h GLU 30 N 0.50 -0.73 -0.04 1.92 4.57 -1.97 0.21 114.58 119.03 1wgw h GLU 30 Ca 0.30 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1wgw h GLU 30 Cb 0.32 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1wgw h GLU 30 CO -0.26 -0.49 -0.02 0.28 -1.18 0.00 0.00 179.01 177.34 1wgw n VAL 31 N -5.42 -0.03 -0.24 0.32 0.31 -0.97 0.23 118.33 112.53 1wgw n VAL 31 Ca -0.09 1.53 -0.07 0.00 -0.01 0.00 0.00 64.34 65.71 1wgw n VAL 31 Cb 0.41 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 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 -1.46 -0.19 7.52 6.46 -1.30 1.61 115.31 127.95 1wgw h LEU 32 Ca 0.01 0.26 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1wgw h LEU 32 Cb 0.02 0.69 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1wgw h LEU 32 CO -0.04 -0.32 -0.39 -1.13 -0.62 0.00 0.00 178.44 175.94 1wgw h ASN 33 N -0.17 -1.24 0.31 1.25 -1.24 0.19 1.45 115.58 116.13 1wgw h ASN 33 Ca 0.21 0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 1wgw h ASN 33 Cb 0.56 0.52 -0.00 0.00 0.73 0.00 0.00 38.32 40.12 1wgw h ASN 33 CO -0.74 -0.40 -0.22 0.00 -1.29 0.00 0.00 177.43 174.78 1wgw h ALA 34 N 0.28 -1.03 -0.86 1.57 0.00 0.53 -2.55 119.26 117.20 1wgw h ALA 34 Ca 0.10 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1wgw h ALA 34 Cb 0.60 0.37 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1wgw h ALA 34 CO -0.42 -1.02 0.02 1.98 0.00 0.00 0.00 179.25 179.82 1wgw h MET 35 N -0.51 0.08 -0.66 0.00 1.85 0.25 0.23 114.93 116.17 1wgw h MET 35 Ca -0.04 -0.00 0.11 0.00 -0.61 0.00 0.00 59.70 59.15 1wgw h MET 35 Cb 0.42 -0.02 -0.12 0.00 0.43 0.00 0.00 31.60 32.31 1wgw h MET 35 CO 0.03 0.05 -0.35 -0.07 -0.40 0.00 0.00 176.91 176.16 1wgw h LEU 36 N 0.08 -1.24 0.03 3.39 3.38 0.23 0.10 115.31 121.28 1wgw h LEU 36 Ca 0.49 0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.72 1wgw h LEU 36 Cb 0.93 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 1wgw h LEU 36 CO -0.77 -0.30 -0.44 0.50 0.09 0.00 0.00 178.44 177.52 1wgw h LYS 37 N -0.14 -0.55 -1.47 1.13 3.64 -0.15 1.54 116.57 120.56 1wgw h LYS 37 Ca 0.25 0.04 0.43 0.00 -1.27 0.00 0.00 60.65 60.09 1wgw h LYS 37 Cb 0.56 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1wgw h LYS 37 CO -0.73 -0.37 1.06 0.93 -2.27 0.00 0.00 179.45 178.07 1wgw h GLU 38 N -0.58 0.00 0.00 1.90 4.39 -0.79 0.50 114.58 120.01 1wgw h GLU 38 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wgw h GLU 38 Cb 0.60 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1wgw h GLU 38 CO -0.27 0.00 -0.13 0.28 -1.16 0.00 0.00 179.01 177.73 1wgw h VAL 39 N 0.00 0.00 -1.08 3.13 2.07 0.19 -3.14 116.25 117.42 1wgw h VAL 39 Ca 0.70 -0.88 0.39 0.00 0.82 0.00 0.00 66.70 67.73 1wgw h VAL 39 Cb 2.81 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 32.43 1wgw h VAL 39 CO -0.01 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.20 1wgw h THR 41 N 0.13 0.64 -0.60 0.00 2.02 -0.19 0.13 112.91 115.05 1wgw h THR 41 Ca 0.80 0.00 0.12 0.00 0.77 0.00 0.00 66.41 68.10 1wgw h THR 41 Cb 2.13 0.64 -0.12 0.00 -1.74 0.00 0.00 68.15 69.07 1wgw h THR 41 CO -0.63 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.09 1wgw h ALA 42 N 0.27 0.34 -0.88 6.16 0.00 0.90 1.36 119.26 127.41 1wgw h ALA 42 Ca -0.03 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1wgw h ALA 42 Cb 0.36 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1wgw h ALA 42 CO 0.03 -0.46 0.56 -0.07 0.00 0.00 0.00 179.25 179.31 1wgw h LEU 43 N -0.03 0.93 -1.04 0.00 -0.00 -1.01 0.15 115.31 114.31 1wgw h LEU 43 Ca 0.28 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.08 1wgw h LEU 43 Cb 0.46 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 1wgw h LEU 43 CO -0.63 0.62 -0.25 -0.07 -0.00 0.00 0.00 178.44 178.11 1wgw h LEU 44 N 1.08 0.38 0.00 1.67 3.38 0.20 -1.05 115.31 120.96 1wgw h LEU 44 Ca 0.36 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wgw h LEU 44 Cb 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1wgw h LEU 44 CO -0.13 0.64 0.00 -0.62 0.09 0.00 0.00 178.44 178.41 1wgw n GLU 45 N -4.13 0.99 0.00 1.13 1.02 0.42 -4.18 120.64 115.89 1wgw n GLU 45 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1wgw n GLU 45 Cb 0.39 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.79 0.00 0.00 0.62 0.00 -0.42 -5.03 120.51 114.90 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1wgw n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wgw n ASP 47 N -1.17 0.00 -2.63 0.00 8.00 -1.12 -5.11 116.55 114.52 1wgw n ASP 47 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1wgw n ASP 47 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1wgw n ASP 47 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1wgw n VAL 48 N 0.00 0.00 -3.79 2.53 0.24 -1.21 -5.08 118.33 111.01 1wgw n VAL 48 Ca 0.00 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 1wgw n VAL 48 Cb 0.00 -1.13 -0.08 0.00 -1.47 0.00 0.00 33.84 31.16 1wgw n VAL 48 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wgw s ASN 49 N -1.91 6.10 0.19 -1.34 2.47 -1.26 -4.97 114.94 114.22 1wgw s ASN 49 Ca 0.15 0.21 -0.18 0.00 0.42 0.00 0.00 52.86 53.46 1wgw s ASN 49 Cb -0.01 -2.06 0.16 0.00 -1.45 0.00 0.00 41.25 37.89 1wgw s ASN 49 CO 0.10 0.19 1.60 -0.29 -3.72 0.00 0.00 177.10 174.98 1wgw h ILE 50 N 4.68 0.26 -0.52 -5.21 6.09 -1.98 0.43 117.51 121.27 1wgw h ILE 50 Ca -0.41 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.15 1wgw h ILE 50 Cb 1.16 0.26 -0.05 0.00 0.47 0.00 0.00 36.82 38.65 1wgw h ILE 50 CO 0.74 0.00 0.21 0.11 -3.07 0.00 0.00 178.15 176.14 1wgw h LYS 51 N -0.12 0.40 -0.05 2.19 1.79 -1.97 -0.51 116.57 118.30 1wgw h LYS 51 Ca 0.25 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.73 1wgw h LYS 51 Cb 0.51 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 1wgw h LYS 51 CO -0.64 0.27 -0.20 -0.07 -1.08 0.00 0.00 179.45 177.73 1wgw h LEU 52 N 0.41 -0.60 -2.27 2.94 3.38 -0.85 0.63 115.31 118.96 1wgw h LEU 52 Ca 0.24 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1wgw h LEU 52 Cb 0.23 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1wgw h LEU 52 CO -0.22 -0.26 0.21 0.58 0.09 0.00 0.00 178.44 178.84 1wgw h VAL 53 N -0.29 0.33 0.00 1.22 2.07 0.46 1.66 116.25 121.70 1wgw h VAL 53 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1wgw h VAL 53 Cb 0.40 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1wgw h VAL 53 CO -0.22 0.00 -0.89 0.11 0.02 0.00 0.00 177.57 176.59 1wgw h LYS 54 N 0.00 0.00 0.00 1.57 1.57 0.12 -3.17 116.57 116.66 1wgw h LYS 54 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wgw h LYS 54 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1wgw h LYS 54 CO -0.00 0.19 -1.09 0.00 -0.57 0.00 0.00 179.45 177.97 1wgw n GLN 55 N -2.91 0.23 -0.05 3.15 10.64 0.29 -4.21 117.38 124.52 1wgw n GLN 55 Ca -0.02 -0.03 -0.10 0.00 -1.83 0.00 0.00 57.00 55.02 1wgw n GLN 55 Cb 0.68 -1.55 -0.09 0.00 -0.86 0.00 0.00 30.24 28.42 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 -0.02 -0.77 2.61 6.46 0.19 -2.45 115.31 121.33 1wgw h LEU 56 Ca 0.00 -0.65 0.14 0.00 -0.12 0.00 0.00 57.88 57.25 1wgw h LEU 56 Cb 0.68 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.47 1wgw h LEU 56 CO 0.00 0.77 -0.29 0.08 -0.62 0.00 0.00 178.44 178.39 1wgw h ARG 57 N -0.96 -0.06 0.60 1.25 0.11 -1.74 1.02 114.38 114.61 1wgw h ARG 57 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1wgw h ARG 57 Cb 0.67 0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.77 1wgw h ARG 57 CO 0.00 -0.04 -0.29 1.05 0.10 0.00 0.00 179.97 180.80 1wgw h GLU 58 N -0.06 -0.78 -0.63 0.08 4.11 -1.73 0.76 114.58 116.33 1wgw h GLU 58 Ca 0.33 0.05 0.18 0.00 0.07 0.00 0.00 59.36 59.99 1wgw h GLU 58 Cb 0.58 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1wgw h GLU 58 CO -0.81 -0.48 0.57 -0.91 0.07 0.00 0.00 179.01 177.45 1wgw h ASN 59 N -0.92 0.00 0.00 3.06 2.35 -0.66 1.24 115.58 120.66 1wgw h ASN 59 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1wgw h ASN 59 Cb 0.66 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1wgw h ASN 59 CO 0.14 0.00 -0.22 0.58 -1.65 0.00 0.00 177.43 176.27 1wgw h VAL 60 N 0.00 1.47 -0.03 2.81 2.07 0.17 -3.14 116.25 119.60 1wgw h VAL 60 Ca 0.30 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1wgw h VAL 60 Cb 1.45 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 34.08 1wgw h VAL 60 CO -0.00 0.50 0.02 0.11 0.02 0.00 0.00 177.57 178.22 1wgw h LYS 61 N -1.00 0.04 0.00 1.57 1.57 0.29 0.14 116.57 119.18 1wgw h LYS 61 Ca -0.06 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1wgw h LYS 61 Cb 0.96 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1wgw h LYS 61 CO -0.04 0.02 -0.31 1.03 -0.57 0.00 0.00 179.45 179.59 1wgw h SER 62 N 0.04 0.00 0.65 0.86 0.87 0.13 -1.01 113.55 115.10 1wgw h SER 62 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1wgw h SER 62 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wgw h SER 62 CO -0.00 0.31 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 1wgw n ALA 63 N -2.38 1.91 -2.49 6.23 0.00 0.48 -4.74 120.51 119.51 1wgw n ALA 63 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wgw n ALA 63 Cb 0.39 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.49 0.00 0.00 0.00 2.08 -0.38 -5.00 119.36 114.57 1wgw n ILE 64 Ca 0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1wgw n ILE 64 Cb 0.22 -0.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 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 -0.31 4.38 2.03 -1.26 -5.01 116.55 116.38 1wgw n ASP 65 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1wgw n ASP 65 Cb 0.00 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 40.74 1wgw n ASP 65 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wgw h LEU 66 N 0.00 0.00 -1.00 -2.67 3.38 -1.99 0.71 115.31 113.74 1wgw h LEU 66 Ca 0.00 0.22 0.40 0.00 0.09 0.00 0.00 57.88 58.59 1wgw h LEU 66 Cb 0.00 0.29 -0.16 0.00 0.09 0.00 0.00 40.66 40.88 1wgw h LEU 66 CO 0.00 -0.21 0.56 -1.84 0.09 0.00 0.00 178.44 177.04 1wgw n GLU 67 N -5.26 -0.05 -3.42 1.13 0.28 -1.26 -3.27 120.64 108.79 1wgw n GLU 67 Ca 0.24 1.26 -0.21 0.00 -0.16 0.00 0.00 57.16 58.30 1wgw n GLU 67 Cb 0.78 -2.31 -0.10 0.00 1.43 0.00 0.00 31.44 31.24 1wgw n GLU 67 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1wgw s GLU 68 N -5.36 0.41 0.00 3.44 2.02 0.25 -5.06 118.70 114.40 1wgw s GLU 68 Ca -0.08 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1wgw s GLU 68 Cb 0.31 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1wgw s GLU 68 CO 0.73 -1.09 0.00 -1.33 0.02 0.00 0.00 175.26 173.59 1wgw n MET 69 N 4.86 0.00 0.00 1.61 2.81 -1.20 -4.81 117.12 120.39 1wgw n MET 69 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 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 -0.68 3.04 0.00 -1.26 -5.09 120.51 113.53 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 0.45 0.00 0.00 0.00 177.50 177.95 1wgw n SER 71 N -0.02 0.00 0.00 0.00 2.88 -1.26 -5.18 113.62 110.04 1wgw n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wgw n SER 71 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.88 1.17 5.01 0.46 0.00 -1.26 -4.97 105.19 107.47 1wgw n GLY 72 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.13 0.99 0.00 -1.26 -2.69 117.00 113.91 1wgw n LEU 73 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 55.93 1wgw n LEU 73 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1wgw n LEU 73 CO 0.00 0.00 1.04 -1.13 0.00 0.00 0.00 177.39 177.30 1wgw h ASN 74 N 0.00 0.46 -0.48 1.96 -0.73 -1.99 -2.88 115.58 111.93 1wgw h ASN 74 Ca 0.00 -0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.20 1wgw h ASN 74 Cb 0.00 -0.12 -0.06 0.00 0.27 0.00 0.00 38.32 38.42 1wgw h ASN 74 CO 0.00 0.34 -0.28 0.29 -0.37 0.00 0.00 177.43 177.41 1wgw n LYS 75 N -4.80 -0.21 -0.35 6.67 4.01 -1.10 0.18 118.16 122.57 1wgw n LYS 75 Ca 0.01 1.23 0.25 0.00 -0.51 0.00 0.00 58.31 59.29 1wgw n LYS 75 Cb 0.02 -1.83 0.52 0.00 -0.51 0.00 0.00 35.03 33.24 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 0.34 0.00 1.97 3.08 -1.81 1.45 114.38 119.41 1wgw h ARG 76 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wgw h ARG 76 Cb 0.19 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wgw h ARG 76 CO -0.45 0.22 0.00 1.63 -1.07 0.00 0.00 179.97 180.31 1wgw n LYS 77 N -4.69 0.00 0.14 0.04 5.02 0.47 -0.82 118.16 118.33 1wgw n LYS 77 Ca 0.28 0.45 0.18 0.00 -2.02 0.00 0.00 58.31 57.20 1wgw n LYS 77 Cb 0.97 -1.21 0.69 0.00 -0.02 0.00 0.00 35.03 35.46 1wgw n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgw h MET 78 N 0.00 0.00 0.00 1.97 -0.00 0.15 0.31 114.93 117.37 1wgw h MET 78 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 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 -0.21 0.82 -0.00 0.00 0.00 176.91 177.52 1wgw h ILE 79 N 0.00 1.57 0.00 -0.10 2.04 0.20 0.71 117.51 121.93 1wgw h ILE 79 Ca 0.16 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1wgw h ILE 79 Cb 1.23 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1wgw h ILE 79 CO -0.00 0.53 0.00 -0.61 0.00 0.00 0.00 178.15 178.07 1wgw h GLN 80 N -0.56 0.00 0.00 2.37 4.15 0.16 -1.78 115.11 119.45 1wgw h GLN 80 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1wgw h GLN 80 Cb 0.98 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1wgw h GLN 80 CO 0.04 0.00 -0.81 1.58 -1.93 0.00 0.00 178.83 177.71 1wgw n HIS 81 N -2.79 0.86 -0.30 3.99 -0.00 -0.61 -3.31 115.22 113.07 1wgw n HIS 81 Ca -0.02 0.37 -0.01 0.00 0.46 0.00 0.00 57.72 58.53 1wgw n HIS 81 Cb 0.09 -0.85 0.06 0.00 -0.12 0.00 0.00 29.99 29.17 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 -0.87 0.25 -0.41 1.57 0.00 -0.61 0.72 119.26 119.91 1wgw h ALA 82 Ca -0.12 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wgw h ALA 82 Cb 0.79 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1wgw h ALA 82 CO -0.07 -0.56 0.00 0.28 0.00 0.00 0.00 179.25 178.90 1wgw n VAL 83 N -5.49 0.00 -0.31 0.00 0.31 -0.69 -2.54 118.33 109.61 1wgw n VAL 83 Ca 0.09 1.43 0.16 0.00 -0.01 0.00 0.00 64.34 66.01 1wgw n VAL 83 Cb 0.40 -2.35 0.31 0.00 -0.91 0.00 0.00 33.84 31.29 1wgw n VAL 83 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wgw n PHE 84 N -1.95 0.65 -0.21 3.52 3.72 -0.77 -0.18 117.46 122.24 1wgw n PHE 84 Ca 0.00 1.10 -0.07 0.00 -0.05 0.00 0.00 57.45 58.43 1wgw n PHE 84 Cb 0.00 -1.23 -0.06 0.00 -0.94 0.00 0.00 39.48 37.25 1wgw n PHE 84 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1wgw h LYS 85 N 0.00 -0.07 -0.38 -1.08 1.63 0.72 0.13 116.57 117.51 1wgw h LYS 85 Ca 0.59 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.47 1wgw h LYS 85 Cb 1.27 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.83 1wgw h LYS 85 CO -0.84 -0.05 -0.23 0.93 -3.45 0.00 0.00 179.45 175.82 1wgw h GLU 86 N -0.08 -0.16 -1.15 1.90 4.39 -0.41 0.63 114.58 119.71 1wgw h GLU 86 Ca 0.08 0.01 0.33 0.00 0.34 0.00 0.00 59.36 60.13 1wgw h GLU 86 Cb 0.29 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1wgw h GLU 86 CO -0.52 -0.11 1.00 -0.07 -1.16 0.00 0.00 179.01 178.15 1wgw h LEU 87 N -0.16 0.00 0.00 1.33 3.38 -0.44 1.54 115.31 120.96 1wgw h LEU 87 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wgw h LEU 87 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1wgw h LEU 87 CO -0.48 0.00 -0.00 0.58 0.09 0.00 0.00 178.44 178.63 1wgw h VAL 88 N 0.00 1.65 -0.45 1.22 2.07 0.18 -2.75 116.25 118.18 1wgw h VAL 88 Ca 0.54 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 1wgw h VAL 88 Cb 2.54 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 35.38 1wgw h VAL 88 CO -0.01 0.55 0.17 0.11 0.02 0.00 0.00 177.57 178.42 1wgw h LYS 89 N -0.97 0.64 0.29 1.57 1.79 0.15 -3.10 116.57 116.95 1wgw h LYS 89 Ca -0.00 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1wgw h LYS 89 Cb 0.90 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1wgw h LYS 89 CO 0.00 0.54 -0.14 0.28 -1.08 0.00 0.00 179.45 179.04 1wgw h VAL 90 N 0.64 0.00 -3.95 0.50 2.07 0.17 -3.46 116.25 112.22 1wgw h VAL 90 Ca 0.15 -0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.41 1wgw h VAL 90 Cb 0.14 0.00 -0.20 0.00 -1.52 0.00 0.00 31.29 29.71 1wgw h VAL 90 CO -0.01 0.00 -0.73 -0.54 0.02 0.00 0.00 177.57 176.31 1wgw s LYS 91 N -3.84 0.55 -0.30 1.57 -0.14 -1.04 -5.08 119.74 111.47 1wgw s LYS 91 Ca -0.06 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.43 1wgw s LYS 91 Cb 0.01 -0.25 0.01 0.00 -1.68 0.00 0.00 37.83 35.92 1wgw s LYS 91 CO 0.17 0.03 1.09 0.54 -0.76 0.00 0.00 175.35 176.43 1wgw s VAL 92 N -1.70 4.51 0.93 3.17 0.11 -1.26 -4.15 120.40 122.00 1wgw s VAL 92 Ca -0.07 1.75 -0.17 0.00 -2.93 0.00 0.00 61.98 60.56 1wgw s VAL 92 Cb -0.08 -4.37 -0.14 0.00 -1.53 0.00 0.00 36.38 30.26 1wgw s VAL 92 CO -0.00 -0.42 -0.64 0.00 -3.33 0.00 0.00 175.10 170.71 1wgw n TYR 93 N 6.82 -4.69 -2.69 1.54 4.11 -1.26 -4.80 117.16 116.19 1wgw n TYR 93 Ca 0.12 0.05 -0.43 0.00 -0.00 0.00 0.00 57.90 57.64 1wgw n TYR 93 Cb 0.47 -1.49 0.00 0.00 -0.00 0.00 0.00 39.34 38.32 1wgw n TYR 93 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1wgw n SER 94 N 3.08 5.45 -3.86 9.48 7.64 -1.26 -4.90 113.62 129.26 1wgw n SER 94 Ca -0.00 -3.15 -0.30 0.00 1.01 0.00 0.00 58.87 56.43 1wgw n SER 94 Cb 0.55 -1.44 -0.15 0.00 -1.01 0.00 0.00 64.21 62.15 1wgw n SER 94 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgw s GLY 95 N 0.71 1.45 -1.20 0.23 0.00 -1.26 -5.04 107.32 102.21 1wgw s GLY 95 Ca 0.38 -2.04 -0.20 0.00 0.00 0.00 0.00 44.72 42.86 1wgw s GLY 95 CO 0.02 1.31 1.91 -1.55 0.00 0.00 0.00 173.10 174.79 1wgw n PRO 96 N 4.59 2.33 0.00 2.90 -0.04 -1.26 -4.77 135.00 138.75 1wgw n PRO 96 Ca 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1wgw n PRO 96 Cb 0.42 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 9.97 0.00 -4.29 3.54 2.88 -1.26 -5.11 113.62 119.35 1wgw n SER 97 Ca 0.48 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.58 1wgw n SER 97 Cb 0.44 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 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 6.02 0.00 -3.46 0.15 -1.26 -5.20 113.70 109.94 1wgw s SER 98 Ca 0.00 -1.75 0.10 0.00 0.70 0.00 0.00 55.95 55.00 1wgw s SER 98 Cb 0.00 -2.14 0.08 0.00 -1.71 0.00 0.00 66.02 62.26 1wgw s SER 98 CO 0.00 -0.77 0.83 0.61 1.20 0.00 0.00 173.24 175.11