#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hry s ARG 4 N 0.00 4.58 0.39 -1.24 0.52 -1.26 -4.99 118.95 116.95 1hry s ARG 4 Ca 0.00 1.62 -0.07 0.00 -0.52 0.00 0.00 55.73 56.76 1hry s ARG 4 Cb 0.00 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 1hry s ARG 4 CO 0.00 0.03 0.70 0.08 0.02 0.00 0.00 175.30 176.13 1hry s VAL 5 N 0.23 4.90 0.55 3.52 1.01 -1.26 -5.04 120.40 124.31 1hry s VAL 5 Ca 0.51 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 1hry s VAL 5 Cb -0.27 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1hry s VAL 5 CO 0.32 -0.55 1.08 -1.59 0.00 0.00 0.00 175.10 174.36 1hry s LYS 6 N -4.01 3.42 -0.06 2.72 -2.85 -1.26 -5.05 119.74 112.65 1hry s LYS 6 Ca 0.48 1.40 -0.03 0.00 -1.00 0.00 0.00 55.97 56.82 1hry s LYS 6 Cb -0.10 -2.03 0.04 0.00 -2.06 0.00 0.00 37.83 33.67 1hry s LYS 6 CO 0.34 -0.75 0.13 -0.98 0.10 0.00 0.00 175.35 174.19 1hry s ARG 7 N -3.57 0.02 0.41 1.78 3.03 -1.26 -5.08 118.95 114.28 1hry s ARG 7 Ca 0.68 0.44 -0.07 0.00 2.03 0.00 0.00 55.73 58.81 1hry s ARG 7 Cb -0.19 -0.28 0.10 0.00 -1.03 0.00 0.00 34.95 33.55 1hry s ARG 7 CO 0.29 -0.26 0.32 -0.35 -1.13 0.00 0.00 175.30 174.18 1hry n PRO 8 N 4.88 -2.08 -2.00 3.89 -0.04 -1.26 -4.93 135.00 133.46 1hry n PRO 8 Ca -0.13 -0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 62.43 1hry n PRO 8 Cb 0.50 -0.55 0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1hry n PRO 8 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1hry s MET 9 N -3.75 3.30 0.19 0.54 -1.94 -1.26 -4.98 119.30 111.40 1hry s MET 9 Ca 0.22 1.98 -0.19 0.00 -1.71 0.00 0.00 55.69 55.98 1hry s MET 9 Cb -0.03 -2.22 -0.08 0.00 2.01 0.00 0.00 34.83 34.51 1hry s MET 9 CO 0.17 -0.98 0.69 -0.80 -0.01 0.00 0.00 175.02 174.09 1hry s ASN 10 N -1.25 7.06 0.64 3.03 -0.87 -1.26 -4.86 114.94 117.42 1hry s ASN 10 Ca 0.70 1.38 0.17 0.00 -1.57 0.00 0.00 52.86 53.55 1hry s ASN 10 Cb -0.34 -2.40 0.77 0.00 -0.02 0.00 0.00 41.25 39.26 1hry s ASN 10 CO 0.40 0.08 1.38 0.00 -2.57 0.00 0.00 177.10 176.38 1hry h ALA 11 N 3.64 2.21 0.03 0.60 0.00 -1.97 0.36 119.26 124.12 1hry h ALA 11 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hry h ALA 11 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hry h ALA 11 CO 0.65 -1.08 -0.01 0.35 0.00 0.00 0.00 179.25 179.16 1hry h PHE 12 N 0.00 -0.03 0.00 0.00 3.57 -2.02 -3.24 116.94 115.22 1hry h PHE 12 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1hry h PHE 12 Cb 1.94 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.69 1hry h PHE 12 CO 0.00 0.58 -0.08 0.82 -2.23 0.00 0.00 178.31 177.40 1hry h ILE 13 N -0.96 0.57 -0.37 1.41 2.04 -0.74 -1.97 117.51 117.49 1hry h ILE 13 Ca -0.00 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.58 1hry h ILE 13 Cb 0.63 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1hry h ILE 13 CO 0.01 0.08 -0.12 0.58 0.00 0.00 0.00 178.15 178.69 1hry h VAL 14 N 0.00 0.57 -0.03 1.67 2.07 -1.05 0.88 116.25 120.36 1hry h VAL 14 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1hry h VAL 14 Cb 0.22 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1hry h VAL 14 CO 0.01 0.00 -0.33 -0.50 0.02 0.00 0.00 177.57 176.77 1hry h TRP 15 N -0.04 -0.92 -0.98 1.57 6.55 -1.42 -1.65 115.95 119.07 1hry h TRP 15 Ca 0.18 0.03 0.11 0.00 0.95 0.00 0.00 58.89 60.16 1hry h TRP 15 Cb 0.31 0.41 -0.13 0.00 -0.86 0.00 0.00 29.16 28.89 1hry h TRP 15 CO -0.36 -0.42 -0.51 0.45 -1.05 0.00 0.00 178.44 176.56 1hry n SER 16 N -5.42 -0.89 0.00 -3.49 2.88 0.14 0.15 113.62 106.99 1hry n SER 16 Ca -0.05 1.72 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 1hry n SER 16 Cb 0.33 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1hry n SER 16 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hry n ARG 17 N -5.30 0.00 -0.05 -1.46 5.12 -0.25 -1.84 116.66 112.88 1hry n ARG 17 Ca 0.05 0.62 -0.13 0.00 -1.93 0.00 0.00 57.85 56.46 1hry n ARG 17 Cb 0.30 -1.15 -0.12 0.00 -1.16 0.00 0.00 32.46 30.33 1hry n ARG 17 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1hry h ASP 18 N 0.00 -0.00 -0.35 0.55 3.32 -1.32 -3.15 116.42 115.46 1hry h ASP 18 Ca 0.00 -0.85 0.08 0.00 0.02 0.00 0.00 57.03 56.28 1hry h ASP 18 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1hry h ASP 18 CO 0.00 0.86 -0.19 -0.61 -1.72 0.00 0.00 179.24 177.58 1hry h GLN 19 N -0.88 -0.13 -0.97 3.56 5.75 0.13 -0.78 115.11 121.79 1hry h GLN 19 Ca -0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1hry h GLN 19 Cb 0.86 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.38 1hry h GLN 19 CO 0.00 -0.09 0.64 -0.09 -2.65 0.00 0.00 178.83 176.64 1hry h ARG 20 N -0.13 1.18 -0.89 1.69 2.43 -1.29 -0.09 114.38 117.27 1hry h ARG 20 Ca 0.18 -0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.48 1hry h ARG 20 Cb 0.40 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1hry h ARG 20 CO -0.43 0.78 0.59 -0.09 -1.51 0.00 0.00 179.97 179.31 1hry h ARG 21 N 1.21 0.39 -0.22 0.20 9.65 -1.10 0.32 114.38 124.83 1hry h ARG 21 Ca 0.39 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.23 1hry h ARG 21 Cb 0.03 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1hry h ARG 21 CO -0.13 0.26 0.06 -0.22 2.80 0.00 0.00 179.97 182.74 1hry h LYS 22 N 0.40 0.34 0.00 0.20 3.64 -0.85 -2.24 116.57 118.06 1hry h LYS 22 Ca 0.46 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1hry h LYS 22 Cb 1.16 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1hry h LYS 22 CO -0.17 0.45 -0.15 1.98 -2.27 0.00 0.00 179.45 179.29 1hry h MET 23 N 0.18 0.00 0.00 1.90 4.05 -0.40 -2.15 114.93 118.50 1hry h MET 23 Ca 0.07 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 1hry h MET 23 Cb 0.25 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1hry h MET 23 CO -0.00 0.15 -0.56 0.00 0.23 0.00 0.00 176.91 176.72 1hry h ALA 24 N 1.85 0.99 0.44 0.39 0.00 -0.31 -0.03 119.26 122.59 1hry h ALA 24 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1hry h ALA 24 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1hry h ALA 24 CO 0.02 0.70 -0.21 -0.07 0.00 0.00 0.00 179.25 179.69 1hry h LEU 25 N 0.00 -0.50 0.00 0.00 3.38 -0.82 -1.82 115.31 115.54 1hry h LEU 25 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1hry h LEU 25 Cb 1.05 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hry h LEU 25 CO 0.07 -0.26 -0.13 -0.33 0.09 0.00 0.00 178.44 177.88 1hry h GLU 26 N -0.78 0.00 -1.91 1.13 5.08 -1.67 -3.38 114.58 113.04 1hry h GLU 26 Ca -0.06 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.81 1hry h GLU 26 Cb 0.46 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.30 1hry h GLU 26 CO 0.10 0.03 -1.11 0.09 -1.00 0.00 0.00 179.01 177.12 1hry n ASN 27 N -3.07 1.52 0.00 1.42 4.13 -0.03 -4.89 115.26 114.34 1hry n ASN 27 Ca 0.03 -3.09 0.05 0.00 1.68 0.00 0.00 54.58 53.26 1hry n ASN 27 Cb 0.54 -0.60 0.30 0.00 -1.54 0.00 0.00 39.78 38.49 1hry n ASN 27 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1hry n PRO 28 N 0.15 0.24 -3.30 3.52 -0.04 -0.68 -3.82 135.00 131.06 1hry n PRO 28 Ca 0.24 0.11 -0.26 0.00 -0.04 0.00 0.00 63.50 63.55 1hry n PRO 28 Cb 0.64 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1hry n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1hry n ARG 29 N -1.16 2.28 -2.74 0.54 1.74 -1.26 -5.04 116.66 111.02 1hry n ARG 29 Ca 0.07 -4.42 -0.42 0.00 -0.77 0.00 0.00 57.85 52.31 1hry n ARG 29 Cb 0.07 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.41 1hry n ARG 29 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1hry s MET 30 N -2.42 4.41 0.00 5.56 -1.94 -1.25 -4.96 119.30 118.71 1hry s MET 30 Ca 0.40 1.30 0.00 0.00 -1.71 0.00 0.00 55.69 55.69 1hry s MET 30 Cb 0.18 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1hry s MET 30 CO -0.05 -0.27 0.59 0.54 -0.01 0.00 0.00 175.02 175.82 1hry n ARG 31 N 4.88 0.00 -0.24 2.03 3.00 -1.26 -4.88 116.66 120.19 1hry n ARG 31 Ca 0.07 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.18 1hry n ARG 31 Cb 0.49 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.80 1hry n ARG 31 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1hry n ASN 32 N -1.29 0.00 -3.55 0.55 4.13 -1.26 -4.95 115.26 108.89 1hry n ASN 32 Ca 0.00 -0.83 -0.40 0.00 1.68 0.00 0.00 54.58 55.02 1hry n ASN 32 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1hry n ASN 32 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1hry n SER 33 N -2.49 7.65 0.06 6.41 7.64 -1.26 -4.62 113.62 127.01 1hry n SER 33 Ca 0.00 -3.21 -0.21 0.00 1.01 0.00 0.00 58.87 56.46 1hry n SER 33 Cb 0.00 -1.35 -0.15 0.00 -1.01 0.00 0.00 64.21 61.71 1hry n SER 33 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1hry h GLU 34 N 4.68 0.34 0.00 1.43 5.08 -1.94 -3.14 114.58 121.03 1hry h GLU 34 Ca 0.64 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1hry h GLU 34 Cb 0.34 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1hry h GLU 34 CO 1.45 1.28 0.44 0.97 -1.00 0.00 0.00 179.01 182.15 1hry h ILE 35 N -0.28 0.00 0.00 3.13 -0.00 -1.99 0.91 117.51 119.28 1hry h ILE 35 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 1hry h ILE 35 Cb 1.74 0.25 0.00 0.00 -0.00 0.00 0.00 36.82 38.81 1hry h ILE 35 CO 0.17 0.00 -0.04 0.28 -0.00 0.00 0.00 178.15 178.56 1hry h SER 36 N 0.00 0.00 0.38 2.19 0.02 -1.92 -3.09 113.55 111.13 1hry h SER 36 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1hry h SER 36 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1hry h SER 36 CO 0.00 0.48 -0.16 0.11 -1.14 0.00 0.00 176.83 176.12 1hry h LYS 37 N -0.93 0.00 -0.21 3.45 6.56 -1.30 -2.80 116.57 121.34 1hry h LYS 37 Ca 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1hry h LYS 37 Cb 0.04 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1hry h LYS 37 CO 0.00 0.16 -0.01 1.96 -2.06 0.00 0.00 179.45 179.50 1hry h GLN 38 N 0.00 0.38 -0.55 3.15 1.08 -1.00 -2.49 115.11 115.67 1hry h GLN 38 Ca -0.00 -0.13 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1hry h GLN 38 Cb 0.39 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1hry h GLN 38 CO 0.02 0.59 0.37 -0.07 -0.95 0.00 0.00 178.83 178.78 1hry h LEU 39 N 0.14 0.53 -0.96 1.46 3.38 -1.40 0.57 115.31 119.02 1hry h LEU 39 Ca 0.06 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1hry h LEU 39 Cb 0.42 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1hry h LEU 39 CO 0.01 0.36 0.58 1.23 0.09 0.00 0.00 178.44 180.72 1hry h GLY 40 N 0.61 1.58 1.04 0.83 0.00 -1.36 0.18 103.07 105.95 1hry h GLY 40 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1hry h GLY 40 CO -0.06 0.10 0.44 -1.82 0.00 0.00 0.00 176.54 175.20 1hry h TYR 41 N 0.89 1.24 -0.40 5.60 3.20 -0.75 -1.92 116.97 124.82 1hry h TYR 41 Ca 0.49 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1hry h TYR 41 Cb 0.55 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1hry h TYR 41 CO -0.02 0.88 0.09 1.96 -1.64 0.00 0.00 178.16 179.43 1hry h GLN 42 N 1.24 0.60 -0.61 1.82 1.08 -0.47 -2.60 115.11 116.16 1hry h GLN 42 Ca 0.30 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1hry h GLN 42 Cb 0.09 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1hry h GLN 42 CO -0.04 0.56 0.30 -1.49 -0.95 0.00 0.00 178.83 177.20 1hry h TRP 43 N 0.58 0.88 0.00 2.96 -0.00 -0.43 0.23 115.95 120.17 1hry h TRP 43 Ca 0.13 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.98 1hry h TRP 43 Cb 0.24 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 29.12 1hry h TRP 43 CO 0.01 0.66 0.00 1.63 -0.00 0.00 0.00 178.44 180.74 1hry n LYS 44 N -4.52 0.00 -3.06 0.49 5.02 -1.00 -3.45 118.16 111.65 1hry n LYS 44 Ca 0.04 0.30 -0.19 0.00 -2.02 0.00 0.00 58.31 56.44 1hry n LYS 44 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1hry n LYS 44 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1hry n MET 45 N -1.50 0.70 -1.83 1.97 2.81 0.29 -5.12 117.12 114.44 1hry n MET 45 Ca 0.03 -2.77 -0.42 0.00 -1.81 0.00 0.00 57.70 52.73 1hry n MET 45 Cb 0.14 -1.31 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 1hry n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1hry s LEU 46 N -0.95 4.36 -0.29 4.03 1.43 0.53 -4.71 118.68 123.09 1hry s LEU 46 Ca 0.34 2.81 -0.27 0.00 -1.03 0.00 0.00 54.13 55.98 1hry s LEU 46 Cb 0.18 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1hry s LEU 46 CO -0.15 -0.89 0.96 0.42 0.23 0.00 0.00 176.35 176.92 1hry s THR 47 N 0.69 4.66 0.56 5.49 -4.23 -1.26 -4.91 115.64 116.65 1hry s THR 47 Ca 0.68 1.63 0.24 0.00 -1.18 0.00 0.00 61.69 63.07 1hry s THR 47 Cb -0.47 -4.29 0.33 0.00 1.34 0.00 0.00 72.50 69.42 1hry s THR 47 CO 0.38 -0.31 2.17 -0.33 -0.54 0.00 0.00 174.62 175.99 1hry h GLU 48 N 7.91 0.00 -0.03 3.99 5.08 -1.99 -0.71 114.58 128.83 1hry h GLU 48 Ca -0.21 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1hry h GLU 48 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1hry h GLU 48 CO 0.96 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 179.01 1hry h ALA 49 N 1.94 1.53 0.00 3.43 0.00 -2.03 -2.46 119.26 121.67 1hry h ALA 49 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1hry h ALA 49 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1hry h ALA 49 CO -0.00 -0.05 -2.05 0.39 0.00 0.00 0.00 179.25 177.54 1hry n GLU 50 N -3.77 0.81 0.00 0.00 4.71 -0.31 -4.58 120.64 117.50 1hry n GLU 50 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 1hry n GLU 50 Cb 0.12 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1hry n GLU 50 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1hry n LYS 51 N -2.40 0.00 -0.34 3.49 5.02 -0.93 -3.96 118.16 119.04 1hry n LYS 51 Ca -0.16 0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.18 1hry n LYS 51 Cb 0.78 -0.83 0.01 0.00 -0.02 0.00 0.00 35.03 34.97 1hry n LYS 51 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1hry n TRP 52 N -0.69 -0.05 0.00 2.13 -0.00 -1.21 -1.71 117.44 115.90 1hry n TRP 52 Ca 0.00 1.07 0.00 0.00 -0.00 0.00 0.00 57.50 58.57 1hry n TRP 52 Cb 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 31.31 30.53 1hry n TRP 52 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1hry n PRO 53 N -5.24 0.00 0.11 5.87 -0.01 -1.26 -3.08 135.00 131.39 1hry n PRO 53 Ca 0.08 0.61 0.13 0.00 -0.01 0.00 0.00 63.50 64.31 1hry n PRO 53 Cb 0.33 -1.17 0.40 0.00 -0.01 0.00 0.00 33.50 33.05 1hry n PRO 53 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 175.50 177.46 1hry n PHE 54 N -1.60 0.97 -0.26 6.00 1.16 -1.15 -3.79 117.46 118.78 1hry n PHE 54 Ca 0.00 0.29 -0.05 0.00 -1.87 0.00 0.00 57.45 55.82 1hry n PHE 54 Cb 0.00 -0.97 0.09 0.00 -1.61 0.00 0.00 39.48 36.99 1hry n PHE 54 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1hry h PHE 55 N 0.00 1.14 -0.52 2.97 -1.00 -1.26 -1.83 116.94 116.44 1hry h PHE 55 Ca 0.00 -0.09 0.09 0.00 2.81 0.00 0.00 57.97 60.77 1hry h PHE 55 Cb 0.72 -0.34 -0.07 0.00 3.61 0.00 0.00 35.95 39.87 1hry h PHE 55 CO 0.00 0.88 0.13 1.96 -1.61 0.00 0.00 178.31 179.67 1hry h GLN 56 N 1.09 0.27 0.21 1.51 4.20 -1.65 -1.80 115.11 118.94 1hry h GLN 56 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1hry h GLN 56 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1hry h GLN 56 CO -0.02 0.18 -0.10 1.49 -0.67 0.00 0.00 178.83 179.71 1hry h GLU 57 N 0.28 -0.27 -0.27 1.46 4.81 -1.71 -2.89 114.58 115.98 1hry h GLU 57 Ca 0.26 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 1hry h GLU 57 Cb 0.34 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1hry h GLU 57 CO -0.32 0.07 0.61 0.00 -0.73 0.00 0.00 179.01 178.64 1hry h ALA 58 N 0.01 1.92 0.57 2.92 0.00 -0.96 -1.52 119.26 122.21 1hry h ALA 58 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1hry h ALA 58 Cb 0.47 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1hry h ALA 58 CO 0.05 -0.75 -0.27 1.96 0.00 0.00 0.00 179.25 180.23 1hry h GLN 59 N 0.00 -0.74 -0.45 0.00 1.08 -1.11 -3.14 115.11 110.74 1hry h GLN 59 Ca 0.13 0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1hry h GLN 59 Cb 1.35 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.93 1hry h GLN 59 CO -0.00 -0.43 -0.13 1.57 -0.95 0.00 0.00 178.83 178.88 1hry h LYS 60 N -1.02 0.85 -0.54 1.46 2.10 -1.40 -2.33 116.57 115.69 1hry h LYS 60 Ca -0.08 -0.30 0.09 0.00 -2.00 0.00 0.00 60.65 58.36 1hry h LYS 60 Cb 0.65 -0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 31.82 1hry h LYS 60 CO 0.13 0.93 -0.38 -0.07 -2.00 0.00 0.00 179.45 178.06 1hry h LEU 61 N 0.76 -1.28 0.06 7.07 -0.00 -1.54 -0.34 115.31 120.03 1hry h LEU 61 Ca 0.12 0.23 -0.00 0.00 -0.00 0.00 0.00 57.88 58.22 1hry h LEU 61 Cb 0.64 0.60 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1hry h LEU 61 CO 0.04 -0.32 -0.03 1.56 -0.00 0.00 0.00 178.44 179.69 1hry h GLN 62 N -0.22 -0.08 -0.65 1.13 4.20 -1.49 -3.11 115.11 114.88 1hry h GLN 62 Ca 0.20 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.05 1hry h GLN 62 Cb 0.56 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.26 1hry h GLN 62 CO -0.65 0.00 0.10 0.00 -0.67 0.00 0.00 178.83 177.61 1hry h ALA 63 N 0.79 0.75 0.20 3.87 0.00 -0.58 0.14 119.26 124.43 1hry h ALA 63 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1hry h ALA 63 Cb 0.12 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hry h ALA 63 CO 0.01 -0.35 -0.10 0.52 0.00 0.00 0.00 179.25 179.34 1hry h MET 64 N 0.21 -0.26 -0.74 0.00 2.86 -1.07 -2.06 114.93 113.87 1hry h MET 64 Ca 0.35 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.14 1hry h MET 64 Cb 0.57 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1hry h MET 64 CO -0.48 -0.17 0.49 0.45 1.06 0.00 0.00 176.91 178.26 1hry h HIS 65 N -0.32 0.56 -0.36 -0.22 3.86 -1.51 -1.17 115.15 115.99 1hry h HIS 65 Ca -0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1hry h HIS 65 Cb 0.20 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1hry h HIS 65 CO 0.14 0.23 0.21 0.00 0.86 0.00 0.00 177.93 179.37 1hry h ARG 66 N 0.50 0.49 0.00 2.45 2.47 -0.69 -1.75 114.38 117.85 1hry h ARG 66 Ca 0.36 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 1hry h ARG 66 Cb 0.70 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1hry h ARG 66 CO -0.12 0.38 0.00 0.39 0.56 0.00 0.00 179.97 181.18 1hry n GLU 67 N -4.79 0.14 0.13 0.04 -0.58 -0.47 -1.67 120.64 113.45 1hry n GLU 67 Ca -0.01 0.46 0.10 0.00 -0.42 0.00 0.00 57.16 57.29 1hry n GLU 67 Cb 0.06 -1.81 0.04 0.00 -0.57 0.00 0.00 31.44 29.16 1hry n GLU 67 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1hry h LYS 68 N 0.00 0.00 -1.66 3.49 1.57 -1.07 -3.39 116.57 115.51 1hry h LYS 68 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1hry h LYS 68 Cb 0.23 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.14 1hry h LYS 68 CO 0.00 0.05 -0.99 0.66 -0.57 0.00 0.00 179.45 178.60 1hry n TYR 69 N -2.83 1.94 0.00 -1.35 4.01 -0.67 -4.98 117.16 113.28 1hry n TYR 69 Ca 0.00 -3.40 0.00 0.00 -0.16 0.00 0.00 57.90 54.34 1hry n TYR 69 Cb 0.58 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1hry n TYR 69 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1hry n PRO 70 N -0.09 0.00 0.00 -0.72 -0.01 -1.17 -3.12 135.00 129.90 1hry n PRO 70 Ca 0.24 0.74 0.13 0.00 -0.01 0.00 0.00 63.50 64.60 1hry n PRO 70 Cb 0.65 -1.50 0.45 0.00 -0.01 0.00 0.00 33.50 33.10 1hry n PRO 70 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1hry n ASN 71 N -2.47 0.23 -4.67 2.55 4.13 -1.26 -4.81 115.26 108.97 1hry n ASN 71 Ca 0.00 0.15 -0.42 0.00 1.68 0.00 0.00 54.58 55.98 1hry n ASN 71 Cb 0.00 -0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 1hry n ASN 71 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1hry s TYR 72 N -3.00 2.50 0.38 3.10 6.14 -1.18 -4.99 117.35 120.30 1hry s TYR 72 Ca 0.13 0.64 0.06 0.00 0.64 0.00 0.00 57.07 58.54 1hry s TYR 72 Cb 0.18 -3.71 -0.07 0.00 0.42 0.00 0.00 41.96 38.78 1hry s TYR 72 CO 0.61 -2.74 0.02 0.15 0.64 0.00 0.00 175.55 174.23 1hry s LYS 73 N 3.44 1.84 1.08 4.97 1.02 -1.26 -4.97 119.74 125.86 1hry s LYS 73 Ca 0.64 -2.03 -0.12 0.00 0.02 0.00 0.00 55.97 54.49 1hry s LYS 73 Cb -0.29 -1.39 0.24 0.00 -0.52 0.00 0.00 37.83 35.87 1hry s LYS 73 CO 0.23 -0.08 1.06 0.66 -0.92 0.00 0.00 175.35 176.31 1hry n TYR 74 N -0.86 -0.49 -1.05 3.18 4.01 -1.26 -5.05 117.16 115.64 1hry n TYR 74 Ca -0.04 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1hry n TYR 74 Cb 0.67 -1.81 0.00 0.00 -0.31 0.00 0.00 39.34 37.88 1hry n TYR 74 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27