#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 1.09 -0.46 4.33 3.00 -2.05 -1.64 114.93 119.19 3flv h MET 4 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 59.70 59.43 3flv h MET 4 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 31.60 31.38 3flv h MET 4 CO 0.00 0.82 -0.24 0.45 0.00 0.00 0.00 176.91 177.94 3flv h HIS 5 N 1.10 1.13 -0.66 -0.10 -0.00 -1.98 -1.88 115.15 112.76 3flv h HIS 5 Ca 0.27 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3flv h HIS 5 Cb 0.05 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 3flv h HIS 5 CO 0.01 1.11 0.38 0.93 -0.00 0.00 0.00 177.93 180.36 3flv h GLU 6 N 0.83 0.90 -0.09 2.45 5.08 -1.92 -0.95 114.58 120.87 3flv h GLU 6 Ca 0.10 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3flv h GLU 6 Cb 0.82 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.89 3flv h GLU 6 CO 0.07 0.64 -0.67 1.15 -1.00 0.00 0.00 179.01 179.20 3flv h THR 7 N 0.91 1.33 -0.46 1.13 2.02 -1.04 -1.14 112.91 115.66 3flv h THR 7 Ca 0.24 -1.96 -0.10 0.00 0.77 0.00 0.00 66.41 65.35 3flv h THR 7 Cb -0.01 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3flv h THR 7 CO -0.04 0.60 -0.11 0.03 0.37 0.00 0.00 175.52 176.37 3flv h ARG 8 N 0.26 0.89 0.36 6.66 3.08 -1.30 -2.17 114.38 122.17 3flv h ARG 8 Ca -0.06 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 3flv h ARG 8 Cb 1.32 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3flv h ARG 8 CO 0.14 0.99 -0.17 0.35 -1.07 0.00 0.00 179.97 180.20 3flv h PHE 9 N 0.74 -0.45 -0.15 3.04 3.04 -1.16 0.01 116.94 122.01 3flv h PHE 9 Ca 0.12 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.10 3flv h PHE 9 Cb 0.66 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 3flv h PHE 9 CO 0.05 -0.20 0.11 0.93 -2.02 0.00 0.00 178.31 177.19 3flv h GLU 10 N -0.63 0.00 -0.09 1.11 4.39 -1.17 0.26 114.58 118.45 3flv h GLU 10 Ca -0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 3flv h GLU 10 Cb 0.46 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3flv h GLU 10 CO 0.08 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.41 3flv h ALA 11 N 1.91 0.18 -0.13 3.43 0.00 -0.93 -1.40 119.26 122.32 3flv h ALA 11 Ca 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3flv h ALA 11 Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3flv h ALA 11 CO -0.00 0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.68 3flv h ALA 12 N 0.45 0.16 -0.23 0.00 0.00 0.00 0.45 119.26 120.09 3flv h ALA 12 Ca -0.04 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3flv h ALA 12 Cb 1.17 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3flv h ALA 12 CO 0.11 -0.25 -0.11 0.28 0.00 0.00 0.00 179.25 179.28 3flv h VAL 13 N 0.05 0.65 -0.23 0.00 2.07 -0.60 0.43 116.25 118.61 3flv h VAL 13 Ca 0.04 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.46 3flv h VAL 13 Cb 0.17 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3flv h VAL 13 CO -0.00 0.00 -0.31 0.07 0.02 0.00 0.00 177.57 177.35 3flv h LYS 14 N -0.08 0.47 -0.48 1.57 -0.00 -0.96 0.45 116.57 117.54 3flv h LYS 14 Ca 0.12 -0.20 0.08 0.00 -0.00 0.00 0.00 60.65 60.65 3flv h LYS 14 Cb 0.27 -0.02 -0.07 0.00 -0.00 0.00 0.00 32.23 32.41 3flv h LYS 14 CO -0.28 0.73 0.09 -0.39 -0.00 0.00 0.00 179.45 179.60 3flv h VAL 15 N 0.41 0.73 -0.11 0.07 -1.51 0.11 -1.45 116.25 114.51 3flv h VAL 15 Ca 0.05 -0.08 -0.20 0.00 -1.23 0.00 0.00 66.70 65.24 3flv h VAL 15 Cb 0.74 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3flv h VAL 15 CO 0.06 0.04 -0.76 0.40 -1.23 0.00 0.00 177.57 176.08 3flv h ILE 16 N 0.23 1.33 0.00 7.19 2.04 0.74 -2.40 117.51 126.65 3flv h ILE 16 Ca 0.24 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.02 3flv h ILE 16 Cb 0.31 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3flv h ILE 16 CO -0.31 0.64 0.00 0.00 0.00 0.00 0.00 178.15 178.48 3flv n GLN 17 N -3.88 0.20 -0.01 2.37 6.02 0.15 -3.14 117.38 119.10 3flv n GLN 17 Ca -0.06 0.43 0.10 0.00 -0.01 0.00 0.00 57.00 57.46 3flv n GLN 17 Cb 0.73 -1.89 -0.14 0.00 1.02 0.00 0.00 30.24 29.96 3flv n GLN 17 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3flv n SER 18 N -2.27 0.59 -4.72 1.08 7.64 -0.57 -4.94 113.62 110.44 3flv n SER 18 Ca 0.02 -0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.13 3flv n SER 18 Cb 0.23 1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 64.98 3flv n SER 18 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3flv s LEU 19 N -3.85 4.37 0.22 -3.43 1.43 -0.93 -4.95 118.68 111.53 3flv s LEU 19 Ca -0.02 2.58 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 3flv s LEU 19 Cb 0.14 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 3flv s LEU 19 CO 0.82 -0.79 1.03 -2.16 0.23 0.00 0.00 176.35 175.49 3flv s PRO 20 N 0.95 4.71 -0.16 1.29 0.04 -1.26 -4.99 135.00 135.57 3flv s PRO 20 Ca 0.68 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 3flv s PRO 20 Cb -0.43 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 3flv s PRO 20 CO 0.33 0.28 1.35 0.15 0.04 0.00 0.00 177.00 179.15 3flv s LYS 21 N -0.87 4.17 0.32 4.56 1.02 -1.26 -5.02 119.74 122.65 3flv s LYS 21 Ca 0.45 1.71 0.04 0.00 0.02 0.00 0.00 55.97 58.20 3flv s LYS 21 Cb -0.28 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.18 3flv s LYS 21 CO 0.35 -0.80 0.47 0.54 -0.92 0.00 0.00 175.35 174.98 3flv s ASN 22 N 2.42 6.12 0.45 2.83 2.20 -1.26 -5.01 114.94 122.69 3flv s ASN 22 Ca 0.59 0.05 0.29 0.00 -0.94 0.00 0.00 52.86 52.85 3flv s ASN 22 Cb -0.23 -1.60 1.08 0.00 -2.00 0.00 0.00 41.25 38.50 3flv s ASN 22 CO 0.19 -0.32 1.85 1.23 -2.94 0.00 0.00 177.10 177.11 3flv h GLY 23 N 0.91 0.00 0.00 0.45 0.00 -2.07 -3.38 103.07 98.98 3flv h GLY 23 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3flv h GLY 23 CO 0.57 0.00 -0.16 1.48 0.00 0.00 0.00 176.54 178.43 3flv h SER 24 N 0.00 0.00 -4.99 0.19 4.64 -2.02 -3.49 113.55 107.89 3flv h SER 24 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3flv h SER 24 Cb 0.58 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.52 3flv h SER 24 CO 0.00 0.52 -0.63 0.72 -0.87 0.00 0.00 176.83 176.56 3flv s PHE 25 N -1.70 1.21 0.20 4.77 -0.12 -1.26 -5.17 117.98 115.90 3flv s PHE 25 Ca -0.05 -1.21 -0.16 0.00 -0.05 0.00 0.00 56.93 55.47 3flv s PHE 25 Cb 0.01 -0.67 0.02 0.00 -0.63 0.00 0.00 43.02 41.75 3flv s PHE 25 CO 0.07 -0.43 0.48 1.14 -0.05 0.00 0.00 175.22 176.44 3flv s GLN 26 N -4.04 1.36 0.73 1.99 -2.07 -1.26 -4.47 119.66 111.89 3flv s GLN 26 Ca 0.32 -0.95 -0.16 0.00 -1.82 0.00 0.00 55.36 52.75 3flv s GLN 26 Cb 0.07 0.49 0.03 0.00 -1.09 0.00 0.00 33.01 32.52 3flv s GLN 26 CO 0.08 -0.57 1.19 -2.30 -1.32 0.00 0.00 175.29 172.38 3flv n PRO 27 N -0.32 0.61 -1.32 9.60 -0.02 -1.26 -4.98 135.00 137.31 3flv n PRO 27 Ca -0.09 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 3flv n PRO 27 Cb 0.62 -2.43 0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3flv n PRO 27 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3flv s THR 28 N -1.77 2.43 0.27 3.45 -4.23 -1.26 -4.78 115.64 109.75 3flv s THR 28 Ca 0.77 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 61.47 3flv s THR 28 Cb -0.34 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.12 3flv s THR 28 CO 0.47 -0.13 1.84 0.78 -0.54 0.00 0.00 174.62 177.04 3flv h ASN 29 N -0.61 0.93 -0.68 3.99 2.35 -1.99 -1.63 115.58 117.94 3flv h ASN 29 Ca -0.46 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.36 3flv h ASN 29 Cb 1.28 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3flv h ASN 29 CO 0.49 0.52 0.42 -0.08 -1.65 0.00 0.00 177.43 177.14 3flv h GLU 30 N 1.02 0.80 -0.41 0.81 4.81 -2.00 -0.47 114.58 119.15 3flv h GLU 30 Ca 0.47 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3flv h GLU 30 Cb 0.40 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3flv h GLU 30 CO -0.24 0.53 0.18 1.98 -0.73 0.00 0.00 179.01 180.73 3flv h MET 31 N 0.83 0.60 -0.27 1.92 4.05 -1.78 -1.34 114.93 118.94 3flv h MET 31 Ca 0.28 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3flv h MET 31 Cb 0.03 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 3flv h MET 31 CO -0.11 0.54 0.13 0.52 0.23 0.00 0.00 176.91 178.22 3flv h MET 32 N 0.52 0.38 -0.19 0.39 2.86 -1.03 -2.39 114.93 115.47 3flv h MET 32 Ca 0.14 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 3flv h MET 32 Cb 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3flv h MET 32 CO -0.01 0.36 -0.31 -0.07 1.06 0.00 0.00 176.91 177.94 3flv h LEU 33 N 0.30 0.39 0.69 1.22 3.38 -0.90 -0.51 115.31 119.89 3flv h LEU 33 Ca 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3flv h LEU 33 Cb 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3flv h LEU 33 CO -0.01 0.69 -0.46 0.11 0.09 0.00 0.00 178.44 178.85 3flv h LYS 34 N 0.34 -1.06 -0.99 1.13 1.57 -0.96 -1.97 116.57 114.63 3flv h LYS 34 Ca 0.04 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3flv h LYS 34 Cb 0.71 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 3flv h LYS 34 CO 0.05 -0.71 0.65 0.74 -0.57 0.00 0.00 179.45 179.62 3flv h PHE 35 N -1.10 1.26 -0.45 -1.35 0.04 -1.41 -3.01 116.94 110.92 3flv h PHE 35 Ca -0.09 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.76 3flv h PHE 35 Cb 0.90 -0.42 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 3flv h PHE 35 CO -0.13 0.80 0.16 -0.92 -0.60 0.00 0.00 178.31 177.61 3flv h TYR 36 N 1.35 0.28 -0.37 -0.55 3.20 -0.93 -0.99 116.97 118.97 3flv h TYR 36 Ca 0.36 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 3flv h TYR 36 Cb -0.15 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3flv h TYR 36 CO 0.00 0.10 0.05 0.66 -1.64 0.00 0.00 178.16 177.34 3flv h SER 37 N 0.33 0.59 -0.52 -2.11 4.64 -1.23 -1.14 113.55 114.10 3flv h SER 37 Ca 0.21 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3flv h SER 37 Cb 0.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 3flv h SER 37 CO -0.21 0.70 0.34 -0.26 -0.87 0.00 0.00 176.83 176.53 3flv h PHE 38 N 0.45 0.67 -0.30 4.77 0.04 -1.42 0.28 116.94 121.43 3flv h PHE 38 Ca 0.11 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.92 3flv h PHE 38 Cb 0.37 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 3flv h PHE 38 CO 0.03 0.43 0.11 -0.92 -0.60 0.00 0.00 178.31 177.36 3flv h TYR 39 N 0.71 0.21 -0.20 -0.55 3.20 -0.70 0.39 116.97 120.02 3flv h TYR 39 Ca 0.19 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3flv h TYR 39 Cb -0.07 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3flv h TYR 39 CO -0.04 0.10 0.03 0.87 -1.64 0.00 0.00 178.16 177.48 3flv h LYS 40 N 0.25 0.34 -0.59 1.82 1.79 -1.05 -0.70 116.57 118.44 3flv h LYS 40 Ca 0.13 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 3flv h LYS 40 Cb 0.09 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 3flv h LYS 40 CO -0.13 0.51 0.36 0.37 -1.08 0.00 0.00 179.45 179.48 3flv h GLN 41 N 0.13 0.68 -0.83 3.15 5.75 -0.64 0.92 115.11 124.27 3flv h GLN 41 Ca 0.06 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 3flv h GLN 41 Cb 0.34 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3flv h GLN 41 CO 0.01 0.45 0.44 0.00 -2.65 0.00 0.00 178.83 177.07 3flv h ALA 42 N 1.26 1.07 0.03 3.38 0.00 -0.07 -2.05 119.26 122.87 3flv h ALA 42 Ca 0.24 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.71 3flv h ALA 42 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3flv h ALA 42 CO -0.10 0.59 -1.63 2.41 0.00 0.00 0.00 179.25 180.52 3flv n THR 43 N -4.37 1.60 0.46 0.00 -1.04 -0.28 -4.65 114.28 106.00 3flv n THR 43 Ca 0.08 -0.24 0.10 0.00 -2.04 0.00 0.00 64.05 61.95 3flv n THR 43 Cb 0.11 -1.93 -0.14 0.00 -1.82 0.00 0.00 70.33 66.56 3flv n THR 43 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3flv n GLU 44 N -4.14 0.52 0.00 -2.82 0.28 0.31 -5.08 120.64 109.72 3flv n GLU 44 Ca -0.35 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 3flv n GLU 44 Cb 0.81 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.21 3flv n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3flv n GLY 45 N 1.40 -1.92 3.66 -1.84 0.00 -0.77 -4.91 105.19 100.81 3flv n GLY 45 Ca -0.00 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 3flv n GLY 45 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3flv n PRO 46 N 0.00 1.38 -2.31 1.61 -0.02 -1.26 -4.14 135.00 130.25 3flv n PRO 46 Ca 0.00 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 3flv n PRO 46 Cb 0.00 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 3flv n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3flv n LYS 48 N 7.14 0.69 -0.96 0.00 5.02 -1.26 -4.93 118.16 123.85 3flv n LYS 48 Ca 0.16 0.29 -0.35 0.00 -2.02 0.00 0.00 58.31 56.39 3flv n LYS 48 Cb 0.45 -1.65 0.06 0.00 -0.02 0.00 0.00 35.03 33.87 3flv n LYS 48 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3flv n LEU 49 N -3.68 -4.31 -4.81 -0.35 -0.00 -1.26 -4.96 117.00 97.63 3flv n LEU 49 Ca -0.37 0.24 -0.35 0.00 -0.00 0.00 0.00 56.01 55.53 3flv n LEU 49 Cb 0.95 -0.89 -0.06 0.00 -0.00 0.00 0.00 43.42 43.42 3flv n LEU 49 CO 0.31 -5.32 0.53 -0.94 -0.00 0.00 0.00 177.39 171.97 3flv s SER 50 N -1.28 7.10 0.15 1.45 1.04 -1.26 -5.01 113.70 115.90 3flv s SER 50 Ca 0.45 1.58 -0.31 0.00 0.48 0.00 0.00 55.95 58.15 3flv s SER 50 Cb -0.20 -2.48 -0.11 0.00 0.10 0.00 0.00 66.02 63.33 3flv s SER 50 CO 0.78 -0.09 1.76 -0.60 0.98 0.00 0.00 173.24 176.07 3flv s ARG 51 N -2.31 4.14 0.86 4.02 3.52 -1.26 -4.95 118.95 122.98 3flv s ARG 51 Ca 0.50 2.57 -0.14 0.00 -0.13 0.00 0.00 55.73 58.52 3flv s ARG 51 Cb -0.15 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3flv s ARG 51 CO 0.20 -0.79 0.59 -2.30 -0.81 0.00 0.00 175.30 172.19 3flv n PRO 52 N 4.93 -0.05 -1.88 5.12 -0.02 -1.26 -5.00 135.00 136.84 3flv n PRO 52 Ca 0.17 0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 3flv n PRO 52 Cb 0.37 -1.95 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 3flv n PRO 52 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3flv s GLY 53 N -1.89 1.61 0.63 -1.23 0.00 -1.26 -4.77 107.32 100.41 3flv s GLY 53 Ca 0.62 -0.69 0.42 0.00 0.00 0.00 0.00 44.72 45.07 3flv s GLY 53 CO 0.62 -0.17 2.28 0.27 0.00 0.00 0.00 173.10 176.09 3flv h PHE 54 N -1.14 0.00 0.00 1.90 -5.15 -2.00 -1.11 116.94 109.44 3flv h PHE 54 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3flv h PHE 54 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 3flv h PHE 54 CO 0.17 0.00 0.00 -2.67 -2.00 0.00 0.00 178.31 173.81 3flv n TRP 55 N -3.05 0.00 -3.43 6.09 2.14 -1.26 -3.93 117.44 114.00 3flv n TRP 55 Ca -0.02 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.28 3flv n TRP 55 Cb 0.12 -0.46 -0.08 0.00 -0.81 0.00 0.00 31.31 30.07 3flv n TRP 55 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 3flv n ASP 56 N -1.46 2.90 -0.17 -0.67 2.03 -0.42 -4.97 116.55 113.79 3flv n ASP 56 Ca 0.06 -3.25 -0.02 0.00 0.52 0.00 0.00 54.79 52.10 3flv n ASP 56 Cb 0.24 -0.67 0.19 0.00 -0.72 0.00 0.00 41.12 40.16 3flv n ASP 56 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3flv h PRO 57 N 4.32 0.91 -0.41 -0.67 0.13 -1.77 0.28 132.00 134.79 3flv h PRO 57 Ca 0.17 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 65.07 3flv h PRO 57 Cb 0.72 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3flv h PRO 57 CO 0.74 0.75 -0.08 0.82 -0.23 0.00 0.00 178.00 180.00 3flv h ILE 58 N 0.90 1.27 -0.75 -3.56 2.04 -1.94 0.65 117.51 116.12 3flv h ILE 58 Ca 0.21 -1.16 0.12 0.00 1.00 0.00 0.00 64.86 65.03 3flv h ILE 58 Cb 0.18 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 3flv h ILE 58 CO -0.02 0.39 0.35 1.23 0.00 0.00 0.00 178.15 180.10 3flv h GLY 59 N 0.59 1.15 0.90 5.37 0.00 -1.83 -1.17 103.07 108.08 3flv h GLY 59 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3flv h GLY 59 CO 0.04 -0.01 0.07 3.21 0.00 0.00 0.00 176.54 179.85 3flv h ARG 60 N 0.55 0.24 -0.91 4.80 3.08 -0.03 0.43 114.38 122.54 3flv h ARG 60 Ca 0.39 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.41 3flv h ARG 60 Cb 0.51 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 3flv h ARG 60 CO -0.33 0.30 0.59 1.88 -1.07 0.00 0.00 179.97 181.34 3flv h TYR 61 N 0.13 1.16 0.22 3.04 0.05 -0.38 -1.19 116.97 120.00 3flv h TYR 61 Ca 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3flv h TYR 61 Cb 0.14 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.50 3flv h TYR 61 CO -0.02 0.74 -0.11 0.87 -1.05 0.00 0.00 178.16 178.59 3flv h LYS 62 N 1.24 -0.29 -0.82 4.88 1.57 -1.16 -2.17 116.57 119.83 3flv h LYS 62 Ca 0.33 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 3flv h LYS 62 Cb -0.12 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.16 3flv h LYS 62 CO -0.07 0.08 0.39 2.35 -0.57 0.00 0.00 179.45 181.64 3flv h TRP 63 N -0.76 0.69 -0.78 -1.35 7.01 -0.75 0.34 115.95 120.35 3flv h TRP 63 Ca -0.03 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3flv h TRP 63 Cb 0.50 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.34 3flv h TRP 63 CO 0.05 0.14 0.42 -0.44 -2.79 0.00 0.00 178.44 175.83 3flv h ASP 64 N 0.56 0.98 -0.12 2.65 3.32 -1.22 0.82 116.42 123.42 3flv h ASP 64 Ca 0.45 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 3flv h ASP 64 Cb 0.65 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3flv h ASP 64 CO -0.38 0.80 -0.07 0.00 -1.72 0.00 0.00 179.24 177.88 3flv h ALA 65 N 1.22 0.17 -0.38 3.45 0.00 0.21 -0.87 119.26 123.06 3flv h ALA 65 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3flv h ALA 65 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3flv h ALA 65 CO -0.04 -0.03 0.21 2.35 0.00 0.00 0.00 179.25 181.74 3flv h TRP 66 N -0.10 0.52 0.00 0.00 7.01 -0.57 -2.55 115.95 120.25 3flv h TRP 66 Ca 0.03 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3flv h TRP 66 Cb 0.55 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 3flv h TRP 66 CO 0.07 0.40 -0.23 0.77 -2.79 0.00 0.00 178.44 176.66 3flv h SER 67 N 0.49 0.00 0.34 2.65 0.02 -0.87 -2.22 113.55 113.95 3flv h SER 67 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3flv h SER 67 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3flv h SER 67 CO -0.02 0.23 0.00 -1.20 -1.14 0.00 0.00 176.83 174.70 3flv n SER 68 N -3.58 0.00 0.08 3.07 7.64 -0.33 -2.09 113.62 118.41 3flv n SER 68 Ca -0.01 0.15 0.12 0.00 1.01 0.00 0.00 58.87 60.14 3flv n SER 68 Cb 0.37 -0.33 0.15 0.00 -1.01 0.00 0.00 64.21 63.40 3flv n SER 68 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3flv h LEU 69 N 0.00 0.00 0.00 -3.43 3.38 -1.43 -3.50 115.31 110.33 3flv h LEU 69 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3flv h LEU 69 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3flv h LEU 69 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3flv n GLY 70 N 1.29 2.73 1.22 0.83 0.00 -0.89 -2.51 105.19 107.87 3flv n GLY 70 Ca 0.03 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 7.52 4.36 -4.41 1.61 5.68 -1.26 -4.43 116.55 125.61 3flv n ASP 71 Ca 0.00 -2.75 -0.47 0.00 -0.50 0.00 0.00 54.79 51.06 3flv n ASP 71 Cb 0.00 -0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 39.41 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 0.20 0.11 -2.40 0.11 1.56 -1.04 -4.91 117.12 110.75 3flv n MET 72 Ca 0.22 0.04 -0.32 0.00 -0.27 0.00 0.00 57.70 57.37 3flv n MET 72 Cb 0.90 -1.07 -0.03 0.00 2.15 0.00 0.00 33.22 35.17 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 -1.03 4.57 0.24 1.12 -4.23 -1.26 -4.73 115.64 110.32 3flv s THR 73 Ca 0.63 1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 62.23 3flv s THR 73 Cb -0.90 -3.73 0.21 0.00 1.34 0.00 0.00 72.50 69.41 3flv s THR 73 CO 0.57 -0.71 1.76 0.07 -0.54 0.00 0.00 174.62 175.76 3flv h LYS 74 N 0.85 0.54 -0.25 3.99 -0.00 -1.87 -0.71 116.57 119.12 3flv h LYS 74 Ca -0.47 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.65 60.04 3flv h LYS 74 Cb 1.19 -0.12 -0.00 0.00 -0.00 0.00 0.00 32.23 33.29 3flv h LYS 74 CO 0.62 0.36 -0.26 1.49 -0.00 0.00 0.00 179.45 181.65 3flv h GLU 75 N 0.55 0.63 -0.74 0.07 4.81 -1.93 0.09 114.58 118.06 3flv h GLU 75 Ca 0.40 -0.33 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 3flv h GLU 75 Cb 0.53 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.82 3flv h GLU 75 CO -0.34 0.94 0.28 0.93 -0.73 0.00 0.00 179.01 180.09 3flv h GLU 76 N 0.34 0.40 -0.48 1.92 5.08 -1.88 0.68 114.58 120.65 3flv h GLU 76 Ca 0.04 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3flv h GLU 76 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3flv h GLU 76 CO 0.06 0.27 -0.00 0.00 -1.00 0.00 0.00 179.01 178.34 3flv h ALA 77 N 1.55 0.65 -0.19 3.43 0.00 -0.92 0.17 119.26 123.95 3flv h ALA 77 Ca 0.41 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3flv h ALA 77 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3flv h ALA 77 CO -0.41 0.45 -0.00 0.52 0.00 0.00 0.00 179.25 179.81 3flv h MET 78 N 0.70 0.27 -0.10 0.00 2.86 -0.46 -0.77 114.93 117.43 3flv h MET 78 Ca 0.14 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3flv h MET 78 Cb 0.51 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3flv h MET 78 CO 0.02 0.29 -0.16 0.82 1.06 0.00 0.00 176.91 178.95 3flv h ILE 79 N 0.26 1.38 -0.43 -1.22 2.04 -0.44 -2.80 117.51 116.31 3flv h ILE 79 Ca 0.06 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.44 3flv h ILE 79 Cb 0.18 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3flv h ILE 79 CO 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 178.15 178.51 3flv h ALA 80 N 0.54 1.11 -0.24 1.87 0.00 -0.30 -0.92 119.26 121.32 3flv h ALA 80 Ca 0.01 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3flv h ALA 80 Cb 0.73 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3flv h ALA 80 CO 0.04 0.56 0.07 -0.92 0.00 0.00 0.00 179.25 179.00 3flv h TYR 81 N 0.67 0.12 -0.24 0.00 3.20 -1.19 -1.07 116.97 118.46 3flv h TYR 81 Ca 0.13 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 3flv h TYR 81 Cb 0.49 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3flv h TYR 81 CO 0.02 0.05 -0.60 0.28 -1.64 0.00 0.00 178.16 176.27 3flv h VAL 82 N 0.17 1.28 -0.18 1.81 2.07 -1.16 -2.82 116.25 117.43 3flv h VAL 82 Ca 0.11 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3flv h VAL 82 Cb 0.09 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3flv h VAL 82 CO -0.12 0.58 -0.02 -0.08 0.02 0.00 0.00 177.57 177.95 3flv h GLU 83 N 0.59 0.26 -0.38 1.57 4.22 -1.11 -0.12 114.58 119.62 3flv h GLU 83 Ca -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 3flv h GLU 83 Cb 1.22 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3flv h GLU 83 CO 0.13 0.30 0.15 1.49 -2.18 0.00 0.00 179.01 178.90 3flv h GLU 84 N 0.26 0.56 -0.52 1.92 4.57 -0.96 -0.83 114.58 119.58 3flv h GLU 84 Ca 0.06 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3flv h GLU 84 Cb 0.21 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3flv h GLU 84 CO 0.01 0.55 0.23 0.52 -1.18 0.00 0.00 179.01 179.13 3flv h MET 85 N 0.46 0.77 -0.92 1.92 2.86 -1.20 -2.38 114.93 116.44 3flv h MET 85 Ca 0.12 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3flv h MET 85 Cb 0.19 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3flv h MET 85 CO -0.01 0.66 0.60 0.87 1.06 0.00 0.00 176.91 180.09 3flv h LYS 86 N 0.70 1.16 -0.47 1.72 6.56 -0.84 -2.48 116.57 122.92 3flv h LYS 86 Ca 0.18 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 3flv h LYS 86 Cb 0.16 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 31.54 3flv h LYS 86 CO -0.02 0.77 0.21 1.57 -2.06 0.00 0.00 179.45 179.92 3flv h LYS 87 N 1.19 0.68 -0.72 3.15 2.10 -0.84 -2.13 116.57 120.01 3flv h LYS 87 Ca 0.36 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 58.86 3flv h LYS 87 Cb -0.05 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.12 3flv h LYS 87 CO -0.10 0.60 0.30 0.82 -2.00 0.00 0.00 179.45 179.07 3flv h ILE 88 N 0.61 1.24 0.14 0.07 2.04 -1.21 -3.15 117.51 117.25 3flv h ILE 88 Ca 0.16 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3flv h ILE 88 Cb 0.15 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3flv h ILE 88 CO -0.02 0.30 -0.07 0.40 0.00 0.00 0.00 178.15 178.77 3flv h ILE 89 N 1.04 1.01 0.00 -0.67 2.04 -1.22 -3.13 117.51 116.58 3flv h ILE 89 Ca 0.24 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3flv h ILE 89 Cb 0.18 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3flv h ILE 89 CO -0.02 0.16 0.20 -0.33 0.00 0.00 0.00 178.15 178.16 3flv h GLU 90 N -0.52 0.00 0.00 2.37 5.08 -1.35 -3.52 114.58 116.64 3flv h GLU 90 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3flv h GLU 90 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3flv h GLU 90 CO 0.03 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.45