#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3flv h MET 4 N 0.00 -0.21 -0.89 4.33 4.05 -2.05 -0.97 114.93 119.20 3flv h MET 4 Ca 0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3flv h MET 4 Cb 0.00 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 3flv h MET 4 CO 0.00 -0.14 0.48 0.45 0.23 0.00 0.00 176.91 177.93 3flv h HIS 5 N -0.22 1.22 -0.57 1.39 3.86 -1.99 -1.33 115.15 117.51 3flv h HIS 5 Ca 0.11 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3flv h HIS 5 Cb 0.37 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3flv h HIS 5 CO -0.30 0.85 -0.03 1.49 0.86 0.00 0.00 177.93 180.79 3flv h GLU 6 N 1.24 1.04 -0.33 2.45 4.81 -1.88 0.12 114.58 122.03 3flv h GLU 6 Ca 0.31 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3flv h GLU 6 Cb 0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3flv h GLU 6 CO -0.05 1.04 0.13 1.15 -0.73 0.00 0.00 179.01 180.55 3flv h THR 7 N 0.92 1.19 -0.54 0.32 2.02 -1.00 -1.78 112.91 114.04 3flv h THR 7 Ca 0.16 -0.58 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3flv h THR 7 Cb 0.59 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 3flv h THR 7 CO 0.04 0.20 0.32 0.03 0.37 0.00 0.00 175.52 176.47 3flv h ARG 8 N 0.39 0.61 -0.05 6.66 3.08 -1.12 -1.87 114.38 122.07 3flv h ARG 8 Ca 0.11 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3flv h ARG 8 Cb 0.19 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3flv h ARG 8 CO -0.01 0.40 -0.07 0.35 -1.07 0.00 0.00 179.97 179.57 3flv h PHE 9 N 0.62 -0.17 -0.74 3.04 3.57 -0.77 -0.32 116.94 122.17 3flv h PHE 9 Ca 0.22 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.78 3flv h PHE 9 Cb 0.04 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 3flv h PHE 9 CO -0.07 -0.11 0.44 1.49 -2.23 0.00 0.00 178.31 177.84 3flv h GLU 10 N -0.10 0.81 -0.58 1.11 4.81 -1.16 -0.27 114.58 119.20 3flv h GLU 10 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3flv h GLU 10 Cb 0.16 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3flv h GLU 10 CO -0.11 0.53 0.33 0.00 -0.73 0.00 0.00 179.01 179.04 3flv h ALA 11 N 1.35 0.74 -0.44 2.92 0.00 -1.12 -2.30 119.26 120.41 3flv h ALA 11 Ca 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3flv h ALA 11 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3flv h ALA 11 CO -0.16 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.41 3flv h ALA 12 N 1.16 0.58 -0.64 0.00 0.00 -0.45 -2.01 119.26 117.91 3flv h ALA 12 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3flv h ALA 12 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3flv h ALA 12 CO -0.04 0.29 0.40 0.28 0.00 0.00 0.00 179.25 180.18 3flv h VAL 13 N 0.58 1.09 -0.82 0.00 2.07 -0.90 -1.27 116.25 117.01 3flv h VAL 13 Ca 0.14 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3flv h VAL 13 Cb 0.36 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3flv h VAL 13 CO 0.01 0.14 0.44 0.11 0.02 0.00 0.00 177.57 178.29 3flv h LYS 14 N 0.78 1.14 0.13 1.57 1.57 -1.21 -0.61 116.57 119.94 3flv h LYS 14 Ca 0.25 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3flv h LYS 14 Cb 0.00 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3flv h LYS 14 CO -0.10 0.85 -0.07 0.28 -0.57 0.00 0.00 179.45 179.84 3flv h VAL 15 N 1.14 0.85 -0.77 0.50 2.07 -0.64 -1.94 116.25 117.46 3flv h VAL 15 Ca 0.29 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.77 3flv h VAL 15 Cb 0.05 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3flv h VAL 15 CO -0.04 0.00 0.34 0.40 0.02 0.00 0.00 177.57 178.29 3flv h ILE 16 N -0.19 1.25 -0.75 4.57 1.08 -1.05 -2.22 117.51 120.20 3flv h ILE 16 Ca -0.01 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 3flv h ILE 16 Cb 0.15 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 3flv h ILE 16 CO 0.02 0.31 0.50 1.56 -0.69 0.00 0.00 178.15 179.84 3flv h GLN 17 N 1.09 0.95 0.00 2.37 4.20 -1.00 -2.69 115.11 120.02 3flv h GLN 17 Ca 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3flv h GLN 17 Cb 0.16 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3flv h GLN 17 CO -0.03 0.63 -0.09 0.66 -0.67 0.00 0.00 178.83 179.32 3flv h SER 18 N 0.97 0.00 0.23 1.46 4.64 -0.73 -3.36 113.55 116.77 3flv h SER 18 Ca 0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3flv h SER 18 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3flv h SER 18 CO -0.07 0.09 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.80 3flv h LEU 19 N 0.00 -0.26 -1.73 5.97 3.38 -1.24 0.31 115.31 121.74 3flv h LEU 19 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3flv h LEU 19 Cb 0.88 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3flv h LEU 19 CO 0.01 -0.03 0.06 -0.65 0.09 0.00 0.00 178.44 177.93 3flv h PRO 20 N -0.50 0.00 0.00 1.13 0.11 -1.75 -2.61 132.00 128.39 3flv h PRO 20 Ca -0.03 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.72 3flv h PRO 20 Cb 0.37 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.42 3flv h PRO 20 CO 0.05 0.00 -2.35 1.63 -0.21 0.00 0.00 178.00 177.12 3flv n LYS 21 N -2.44 0.78 0.00 1.05 5.02 -0.85 -4.79 118.16 116.93 3flv n LYS 21 Ca -0.02 0.03 0.01 0.00 -2.02 0.00 0.00 58.31 56.32 3flv n LYS 21 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3flv n LYS 21 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3flv n ASN 22 N -2.86 0.76 -2.25 4.39 4.13 0.10 -5.05 115.26 114.49 3flv n ASN 22 Ca -0.35 -0.88 -0.04 0.00 1.68 0.00 0.00 54.58 54.99 3flv n ASN 22 Cb 1.08 0.43 -0.01 0.00 -1.54 0.00 0.00 39.78 39.75 3flv n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3flv n GLY 23 N 0.55 4.10 0.28 7.41 0.00 -1.00 -5.04 105.19 111.50 3flv n GLY 23 Ca 0.01 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.93 3flv n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3flv n SER 24 N -1.20 1.44 -4.15 1.61 7.64 -1.26 -4.93 113.62 112.77 3flv n SER 24 Ca -0.02 -1.22 -0.18 0.00 1.01 0.00 0.00 58.87 58.45 3flv n SER 24 Cb 0.08 0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 63.77 3flv n SER 24 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3flv s PHE 25 N -2.13 1.16 0.16 1.43 0.08 -1.26 -5.14 117.98 112.28 3flv s PHE 25 Ca 0.12 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 3flv s PHE 25 Cb 0.13 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.90 3flv s PHE 25 CO 0.49 0.04 0.19 1.14 -0.10 0.00 0.00 175.22 176.99 3flv s GLN 26 N -1.56 1.09 0.72 0.44 -2.07 -1.26 -4.58 119.66 112.44 3flv s GLN 26 Ca -0.02 -1.32 -0.16 0.00 -1.82 0.00 0.00 55.36 52.05 3flv s GLN 26 Cb -0.09 0.32 0.03 0.00 -1.09 0.00 0.00 33.01 32.18 3flv s GLN 26 CO 0.02 -0.37 1.24 -2.14 -1.32 0.00 0.00 175.29 172.72 3flv s PRO 27 N -4.02 2.16 0.92 9.60 0.02 -1.26 -4.99 135.00 137.43 3flv s PRO 27 Ca 0.22 1.87 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 3flv s PRO 27 Cb 0.05 -1.82 0.15 0.00 0.02 0.00 0.00 34.50 32.89 3flv s PRO 27 CO 0.02 -1.85 1.11 0.95 -0.33 0.00 0.00 177.00 176.90 3flv s THR 28 N -1.82 2.42 0.22 0.99 -4.23 -1.26 -4.73 115.64 107.23 3flv s THR 28 Ca 0.77 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 61.34 3flv s THR 28 Cb -0.32 -2.33 0.16 0.00 1.34 0.00 0.00 72.50 71.35 3flv s THR 28 CO 0.44 -0.18 1.77 0.78 -0.54 0.00 0.00 174.62 176.90 3flv h ASN 29 N -1.79 0.40 -0.49 3.99 4.21 -1.99 0.05 115.58 119.96 3flv h ASN 29 Ca -0.47 0.06 0.09 0.00 1.21 0.00 0.00 56.30 57.20 3flv h ASN 29 Cb 1.27 -0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.39 3flv h ASN 29 CO 0.47 0.23 0.03 -0.33 -1.29 0.00 0.00 177.43 176.54 3flv h GLU 30 N 0.55 0.15 -0.63 0.81 3.07 -2.00 -1.23 114.58 115.30 3flv h GLU 30 Ca 0.33 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 3flv h GLU 30 Cb 0.36 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3flv h GLU 30 CO -0.27 0.10 0.08 0.52 -1.40 0.00 0.00 179.01 178.03 3flv h MET 31 N 0.15 1.04 -0.39 2.33 2.86 -1.73 -1.91 114.93 117.27 3flv h MET 31 Ca 0.25 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3flv h MET 31 Cb 0.37 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3flv h MET 31 CO -0.39 0.97 0.14 0.52 1.06 0.00 0.00 176.91 179.21 3flv h MET 32 N 0.97 0.56 -0.20 1.72 2.07 -0.41 0.46 114.93 120.10 3flv h MET 32 Ca 0.19 -0.08 -0.14 0.00 -2.07 0.00 0.00 59.70 57.61 3flv h MET 32 Cb 0.45 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.07 3flv h MET 32 CO 0.02 0.48 -0.45 -0.07 1.07 0.00 0.00 176.91 177.96 3flv h LEU 33 N 0.56 0.54 -0.20 1.22 3.38 -0.92 0.31 115.31 120.19 3flv h LEU 33 Ca 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3flv h LEU 33 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3flv h LEU 33 CO -0.01 0.91 0.02 0.50 0.09 0.00 0.00 178.44 179.95 3flv h LYS 34 N 0.41 0.34 -0.60 1.13 3.64 -0.57 0.39 116.57 121.31 3flv h LYS 34 Ca 0.03 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3flv h LYS 34 Cb 0.95 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 3flv h LYS 34 CO 0.08 0.51 0.25 0.74 -2.27 0.00 0.00 179.45 178.77 3flv h PHE 35 N 0.13 0.45 -0.42 1.91 0.04 -0.82 -1.81 116.94 116.42 3flv h PHE 35 Ca 0.06 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.89 3flv h PHE 35 Cb 0.34 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3flv h PHE 35 CO 0.02 0.15 0.22 -0.92 -0.60 0.00 0.00 178.31 177.18 3flv h TYR 36 N 0.46 0.40 -0.44 -0.55 3.20 -0.60 -0.94 116.97 118.49 3flv h TYR 36 Ca 0.30 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.24 3flv h TYR 36 Cb 0.33 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3flv h TYR 36 CO -0.14 0.21 0.16 0.66 -1.64 0.00 0.00 178.16 177.41 3flv h SER 37 N 0.44 0.17 -0.13 -2.11 4.64 -0.29 -0.49 113.55 115.78 3flv h SER 37 Ca 0.18 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 3flv h SER 37 Cb 0.08 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3flv h SER 37 CO -0.12 0.13 -0.36 -0.26 -0.87 0.00 0.00 176.83 175.35 3flv h PHE 38 N 0.33 0.76 -0.15 4.77 0.04 -1.11 -1.56 116.94 120.01 3flv h PHE 38 Ca 0.21 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3flv h PHE 38 Cb 0.20 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3flv h PHE 38 CO -0.15 0.91 0.01 -0.92 -0.60 0.00 0.00 178.31 177.56 3flv h TYR 39 N 0.54 0.02 -0.22 -0.55 3.20 -0.76 0.14 116.97 119.33 3flv h TYR 39 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3flv h TYR 39 Cb 0.87 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3flv h TYR 39 CO 0.04 -0.00 0.12 0.87 -1.64 0.00 0.00 178.16 177.55 3flv h LYS 40 N 0.07 0.30 -0.23 1.82 1.79 -0.98 -2.37 116.57 116.97 3flv h LYS 40 Ca 0.07 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 3flv h LYS 40 Cb 0.07 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3flv h LYS 40 CO -0.11 0.26 -0.18 0.37 -1.08 0.00 0.00 179.45 178.71 3flv h GLN 41 N 0.25 0.39 0.00 3.15 5.75 -0.98 0.16 115.11 123.83 3flv h GLN 41 Ca 0.08 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3flv h GLN 41 Cb 0.05 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3flv h GLN 41 CO -0.01 0.57 -0.47 0.00 -2.65 0.00 0.00 178.83 176.26 3flv h ALA 42 N 1.45 0.84 0.00 3.38 0.00 -0.56 -2.95 119.26 121.43 3flv h ALA 42 Ca 0.06 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 3flv h ALA 42 Cb 0.53 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3flv h ALA 42 CO 0.03 0.59 -1.85 0.25 0.00 0.00 0.00 179.25 178.28 3flv n THR 43 N -3.43 0.84 0.50 0.00 -2.24 -0.91 -4.74 114.28 104.31 3flv n THR 43 Ca 0.00 -0.28 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3flv n THR 43 Cb 0.61 -1.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.43 3flv n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3flv n GLU 44 N -3.25 1.39 0.00 -0.78 1.02 0.54 -5.09 120.64 114.47 3flv n GLU 44 Ca -0.28 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 3flv n GLU 44 Cb 0.75 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 3flv n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3flv n GLY 45 N 1.44 -1.70 3.78 0.62 0.00 -1.03 -4.96 105.19 103.33 3flv n GLY 45 Ca 0.01 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3flv n GLY 45 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3flv s PRO 46 N 0.00 2.97 0.33 1.61 0.02 -1.26 -4.10 135.00 134.56 3flv s PRO 46 Ca 0.00 1.37 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 3flv s PRO 46 Cb 0.00 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 3flv s PRO 46 CO 0.00 -1.11 1.49 0.00 -0.33 0.00 0.00 177.00 177.04 3flv n LYS 48 N 1.32 1.64 -2.32 0.00 4.76 -1.26 -5.01 118.16 117.30 3flv n LYS 48 Ca 0.04 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.23 3flv n LYS 48 Cb 0.39 -1.03 0.08 0.00 -1.84 0.00 0.00 35.03 32.64 3flv n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3flv s LEU 49 N -4.65 2.92 0.62 -0.35 1.43 -1.26 -5.08 118.68 112.31 3flv s LEU 49 Ca -0.01 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.22 3flv s LEU 49 Cb 0.00 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 3flv s LEU 49 CO 0.03 -1.66 0.98 -0.94 0.23 0.00 0.00 176.35 175.00 3flv s SER 50 N -4.57 5.85 0.14 2.29 1.04 -1.26 -5.01 113.70 112.18 3flv s SER 50 Ca 0.62 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.84 3flv s SER 50 Cb -0.09 -2.10 -0.08 0.00 0.10 0.00 0.00 66.02 63.86 3flv s SER 50 CO 0.44 -1.01 1.27 -0.60 0.98 0.00 0.00 173.24 174.32 3flv s ARG 51 N -5.13 4.41 0.97 4.02 3.52 -1.26 -5.00 118.95 120.49 3flv s ARG 51 Ca 0.54 1.94 -0.11 0.00 -0.13 0.00 0.00 55.73 57.97 3flv s ARG 51 Cb -0.11 -3.26 0.18 0.00 -1.56 0.00 0.00 34.95 30.20 3flv s ARG 51 CO 0.50 -0.26 1.11 -2.14 -0.81 0.00 0.00 175.30 173.70 3flv s PRO 52 N 0.48 0.56 0.93 5.12 0.02 -1.26 -4.98 135.00 135.87 3flv s PRO 52 Ca 0.58 1.32 -0.12 0.00 0.02 0.00 0.00 61.00 62.80 3flv s PRO 52 Cb -0.34 -1.69 0.15 0.00 0.02 0.00 0.00 34.50 32.64 3flv s PRO 52 CO 0.33 -2.87 1.11 0.20 -0.33 0.00 0.00 177.00 175.44 3flv s GLY 53 N -2.69 1.59 0.43 0.52 0.00 -1.26 -4.75 107.32 101.16 3flv s GLY 53 Ca 0.67 -0.32 0.14 0.00 0.00 0.00 0.00 44.72 45.21 3flv s GLY 53 CO 0.60 0.22 1.97 0.27 0.00 0.00 0.00 173.10 176.16 3flv h PHE 54 N -1.61 0.44 0.00 1.90 -5.15 -2.02 -0.89 116.94 109.61 3flv h PHE 54 Ca -0.51 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 3flv h PHE 54 Cb 1.31 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 37.34 3flv h PHE 54 CO 0.34 0.20 0.00 -2.67 -2.00 0.00 0.00 178.31 174.18 3flv n TRP 55 N -4.47 0.00 -3.77 6.09 2.14 -1.26 -4.25 117.44 111.92 3flv n TRP 55 Ca 0.11 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.35 3flv n TRP 55 Cb 0.40 -0.33 -0.09 0.00 -0.81 0.00 0.00 31.31 30.48 3flv n TRP 55 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3flv s ASP 56 N -2.65 5.38 0.11 -0.67 2.15 -0.34 -4.98 116.67 115.67 3flv s ASP 56 Ca 0.20 -3.67 -0.25 0.00 0.43 0.00 0.00 52.55 49.27 3flv s ASP 56 Cb 0.16 -1.78 -0.08 0.00 -0.30 0.00 0.00 42.92 40.92 3flv s ASP 56 CO 0.37 -0.16 1.67 -0.65 -0.17 0.00 0.00 175.17 176.23 3flv h PRO 57 N 5.88 -0.29 -0.57 4.34 0.11 -1.80 -1.27 132.00 138.40 3flv h PRO 57 Ca 0.13 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.17 3flv h PRO 57 Cb 0.80 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3flv h PRO 57 CO 0.78 -0.19 0.02 0.97 -0.21 0.00 0.00 178.00 179.37 3flv h ILE 58 N -0.30 1.26 -0.46 4.15 6.09 -1.97 -0.16 117.51 126.13 3flv h ILE 58 Ca 0.04 -1.07 0.05 0.00 -1.37 0.00 0.00 64.86 62.52 3flv h ILE 58 Cb 0.35 0.80 -0.05 0.00 0.47 0.00 0.00 36.82 38.39 3flv h ILE 58 CO -0.14 0.39 0.18 1.23 -3.07 0.00 0.00 178.15 176.74 3flv h GLY 59 N 1.00 0.61 1.02 8.18 0.00 -1.93 -0.40 103.07 111.56 3flv h GLY 59 Ca 0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3flv h GLY 59 CO 0.02 0.04 -0.07 3.21 0.00 0.00 0.00 176.54 179.74 3flv h ARG 60 N 0.37 0.86 -0.53 4.80 3.08 -0.79 -1.30 114.38 120.86 3flv h ARG 60 Ca 0.21 -0.31 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3flv h ARG 60 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3flv h ARG 60 CO -0.20 0.95 0.05 1.88 -1.07 0.00 0.00 179.97 181.57 3flv h TYR 61 N 0.70 0.98 0.23 3.04 0.05 -0.63 -0.81 116.97 120.53 3flv h TYR 61 Ca 0.12 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.76 3flv h TYR 61 Cb 0.60 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 3flv h TYR 61 CO 0.05 0.89 -0.32 0.87 -1.05 0.00 0.00 178.16 178.60 3flv h LYS 62 N 0.79 -0.59 -0.32 4.88 1.57 -1.09 -1.96 116.57 119.85 3flv h LYS 62 Ca 0.16 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3flv h LYS 62 Cb 0.47 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3flv h LYS 62 CO 0.02 -0.39 0.19 2.35 -0.57 0.00 0.00 179.45 181.05 3flv h TRP 63 N -0.61 0.43 -0.68 -1.35 7.01 -1.05 -1.29 115.95 118.41 3flv h TRP 63 Ca 0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 3flv h TRP 63 Cb 0.59 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 3flv h TRP 63 CO -0.23 0.32 0.37 -0.44 -2.79 0.00 0.00 178.44 175.67 3flv h ASP 64 N 0.41 0.54 0.04 2.65 3.32 -1.13 0.30 116.42 122.55 3flv h ASP 64 Ca 0.11 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3flv h ASP 64 Cb 0.02 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3flv h ASP 64 CO -0.02 0.34 -0.02 0.00 -1.72 0.00 0.00 179.24 177.82 3flv h ALA 65 N 1.36 -0.06 0.14 3.45 0.00 -1.03 -1.85 119.26 121.27 3flv h ALA 65 Ca 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3flv h ALA 65 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3flv h ALA 65 CO -0.20 -0.43 -0.07 2.35 0.00 0.00 0.00 179.25 180.90 3flv h TRP 66 N -0.26 -0.17 -0.63 0.00 7.01 -1.07 -2.91 115.95 117.93 3flv h TRP 66 Ca -0.01 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.11 3flv h TRP 66 Cb 0.23 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 3flv h TRP 66 CO -0.01 -0.06 0.42 1.03 -2.79 0.00 0.00 178.44 177.03 3flv h SER 67 N -0.24 0.34 -0.21 2.65 0.87 -0.38 -2.08 113.55 114.50 3flv h SER 67 Ca -0.02 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3flv h SER 67 Cb 0.19 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3flv h SER 67 CO 0.03 0.20 0.22 0.77 -0.53 0.00 0.00 176.83 177.52 3flv h SER 68 N 0.37 0.00 1.07 6.23 4.64 -1.12 -2.44 113.55 122.29 3flv h SER 68 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3flv h SER 68 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3flv h SER 68 CO -0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 3flv n LEU 69 N -3.82 0.39 0.00 5.97 4.77 -0.78 -4.96 117.00 118.57 3flv n LEU 69 Ca 0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3flv n LEU 69 Cb 0.35 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3flv n LEU 69 CO 0.28 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3flv n GLY 70 N 1.01 3.44 1.59 -0.72 0.00 -0.92 -2.11 105.19 107.49 3flv n GLY 70 Ca 0.05 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3flv n GLY 70 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3flv n ASP 71 N 5.32 4.74 -4.57 1.61 5.68 -1.26 -4.69 116.55 123.36 3flv n ASP 71 Ca 0.00 -2.63 -0.57 0.00 -0.50 0.00 0.00 54.79 51.09 3flv n ASP 71 Cb 0.00 -0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 39.29 3flv n ASP 71 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 3flv n MET 72 N 0.73 0.48 -1.50 0.11 1.56 -0.90 -4.94 117.12 112.66 3flv n MET 72 Ca 0.23 0.17 -0.29 0.00 -0.27 0.00 0.00 57.70 57.55 3flv n MET 72 Cb 0.95 -1.74 0.13 0.00 2.15 0.00 0.00 33.22 34.72 3flv n MET 72 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3flv s THR 73 N 0.77 2.27 0.16 1.12 -4.23 -1.26 -4.79 115.64 109.69 3flv s THR 73 Ca 0.91 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 61.36 3flv s THR 73 Cb -1.17 -2.81 0.05 0.00 1.34 0.00 0.00 72.50 69.91 3flv s THR 73 CO 0.57 -0.12 1.79 0.11 -0.54 0.00 0.00 174.62 176.44 3flv h LYS 74 N -1.44 0.68 -0.49 3.99 1.57 -1.86 -0.93 116.57 118.09 3flv h LYS 74 Ca -0.50 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.11 3flv h LYS 74 Cb 1.32 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3flv h LYS 74 CO 0.61 0.50 -0.11 1.49 -0.57 0.00 0.00 179.45 181.37 3flv h GLU 75 N 0.67 0.91 -0.52 3.15 4.81 -1.91 -1.27 114.58 120.42 3flv h GLU 75 Ca 0.18 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3flv h GLU 75 Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3flv h GLU 75 CO -0.03 0.97 0.13 0.93 -0.73 0.00 0.00 179.01 180.28 3flv h GLU 76 N 0.81 0.79 -0.25 1.92 5.08 -1.88 -1.34 114.58 119.71 3flv h GLU 76 Ca 0.13 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3flv h GLU 76 Cb 0.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3flv h GLU 76 CO 0.04 0.71 -0.46 0.00 -1.00 0.00 0.00 179.01 178.31 3flv h ALA 77 N 1.38 0.72 -0.38 3.43 0.00 -0.78 0.31 119.26 123.94 3flv h ALA 77 Ca 0.17 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3flv h ALA 77 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3flv h ALA 77 CO -0.00 0.67 0.25 0.52 0.00 0.00 0.00 179.25 180.68 3flv h MET 78 N 0.52 0.49 -0.12 0.00 2.86 -0.86 -1.12 114.93 116.71 3flv h MET 78 Ca 0.03 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3flv h MET 78 Cb 1.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3flv h MET 78 CO 0.09 0.33 0.04 0.82 1.06 0.00 0.00 176.91 179.25 3flv h ILE 79 N 0.51 0.97 -0.58 -1.22 2.04 -1.14 -1.91 117.51 116.18 3flv h ILE 79 Ca 0.14 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3flv h ILE 79 Cb -0.05 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3flv h ILE 79 CO -0.03 0.02 0.26 0.00 0.00 0.00 0.00 178.15 178.39 3flv h ALA 80 N 1.08 0.75 -0.23 1.87 0.00 -0.72 -0.47 119.26 121.53 3flv h ALA 80 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3flv h ALA 80 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3flv h ALA 80 CO -0.06 -0.12 0.13 -0.92 0.00 0.00 0.00 179.25 178.29 3flv h TYR 81 N 0.48 0.31 -0.45 0.00 3.20 -1.08 -0.83 116.97 118.60 3flv h TYR 81 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3flv h TYR 81 Cb 0.25 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3flv h TYR 81 CO -0.13 0.25 0.22 0.28 -1.64 0.00 0.00 178.16 177.14 3flv h VAL 82 N 0.27 1.18 -0.74 1.81 2.07 -1.11 -1.40 116.25 118.34 3flv h VAL 82 Ca 0.08 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3flv h VAL 82 Cb 0.04 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3flv h VAL 82 CO -0.01 0.20 0.31 -0.33 0.02 0.00 0.00 177.57 177.75 3flv h GLU 83 N 0.59 1.08 -0.32 1.57 5.08 -0.91 -0.46 114.58 121.21 3flv h GLU 83 Ca 0.16 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3flv h GLU 83 Cb 0.11 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3flv h GLU 83 CO -0.02 0.86 -0.15 1.49 -1.00 0.00 0.00 179.01 180.19 3flv h GLU 84 N 1.06 0.67 -0.30 2.33 4.57 -0.86 -1.94 114.58 120.11 3flv h GLU 84 Ca 0.25 -0.29 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3flv h GLU 84 Cb 0.17 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3flv h GLU 84 CO -0.02 0.88 0.12 1.98 -1.18 0.00 0.00 179.01 180.78 3flv h MET 85 N 0.43 0.25 -0.75 1.92 4.05 -1.04 -1.11 114.93 118.68 3flv h MET 85 Ca 0.07 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3flv h MET 85 Cb 0.68 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.38 3flv h MET 85 CO 0.05 0.16 0.48 0.87 0.23 0.00 0.00 176.91 178.70 3flv h LYS 86 N 0.26 0.93 -0.44 0.39 1.57 -0.87 -0.18 116.57 118.23 3flv h LYS 86 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3flv h LYS 86 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3flv h LYS 86 CO -0.12 0.62 0.18 -0.22 -0.57 0.00 0.00 179.45 179.34 3flv h LYS 87 N 0.96 0.65 -0.42 3.15 3.64 -1.20 -0.01 116.57 123.34 3flv h LYS 87 Ca 0.29 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3flv h LYS 87 Cb -0.04 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3flv h LYS 87 CO -0.09 0.60 0.08 0.97 -2.27 0.00 0.00 179.45 178.74 3flv h ILE 88 N 0.57 1.24 -0.19 2.00 2.10 -0.79 -2.93 117.51 119.50 3flv h ILE 88 Ca 0.15 -0.85 -0.08 0.00 1.08 0.00 0.00 64.86 65.15 3flv h ILE 88 Cb 0.18 0.98 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 3flv h ILE 88 CO -0.01 0.30 -0.25 0.40 -1.08 0.00 0.00 178.15 177.50 3flv h ILE 89 N 0.55 1.25 0.00 2.19 1.08 -0.77 -1.34 117.51 120.47 3flv h ILE 89 Ca 0.13 -1.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 3flv h ILE 89 Cb 0.35 1.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 3flv h ILE 89 CO 0.01 0.37 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.40 3flv h GLU 90 N 0.31 0.00 0.00 2.37 3.07 -0.82 -3.18 114.58 116.33 3flv h GLU 90 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3flv h GLU 90 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3flv h GLU 90 CO 0.04 0.11 -1.74 0.25 -1.40 0.00 0.00 179.01 176.27 3flv n THR 91 N -4.30 0.00 -4.00 1.13 -2.24 -0.89 -5.01 114.28 98.97 3flv n THR 91 Ca -0.03 -0.38 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 3flv n THR 91 Cb 0.19 0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 3flv n THR 91 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3flv s MET 92 N -3.19 3.61 0.09 -0.78 0.00 -0.56 -5.07 119.30 113.40 3flv s MET 92 Ca -0.06 -0.52 -0.33 0.00 0.00 0.00 0.00 55.69 54.78 3flv s MET 92 Cb 0.12 -3.12 -0.12 0.00 0.00 0.00 0.00 34.83 31.70 3flv s MET 92 CO 0.74 -0.04 1.73 -2.30 0.00 0.00 0.00 175.02 175.15 3flv n PRO 93 N 4.41 2.35 0.00 4.11 -0.02 -1.26 -4.84 135.00 139.75 3flv n PRO 93 Ca -0.17 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3flv n PRO 93 Cb 0.52 -2.68 0.08 0.00 -0.02 0.00 0.00 33.50 31.40 3flv n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48