#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooh s HIS 0 N 0.00 0.75 0.11 7.33 4.02 -1.26 -4.62 115.29 121.62 1ooh s HIS 0 Ca 0.00 -1.16 0.09 0.00 1.02 0.00 0.00 55.06 55.01 1ooh s HIS 0 Cb 0.00 -0.43 -0.04 0.00 -1.02 0.00 0.00 32.58 31.10 1ooh s HIS 0 CO 0.00 -0.51 -0.23 0.00 1.02 0.00 0.00 174.74 175.02 1ooh s MET 1 N -4.01 1.26 0.71 1.40 0.00 -1.26 -5.06 119.30 112.33 1ooh s MET 1 Ca 0.20 -1.22 -0.08 0.00 0.00 0.00 0.00 55.69 54.59 1ooh s MET 1 Cb 0.07 -1.60 0.05 0.00 0.00 0.00 0.00 34.83 33.35 1ooh s MET 1 CO -0.01 0.38 1.04 0.95 0.00 0.00 0.00 175.02 177.38 1ooh s THR 2 N -1.10 2.63 0.24 3.16 -4.23 -1.26 -4.21 115.64 110.88 1ooh s THR 2 Ca 0.09 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 1ooh s THR 2 Cb -0.10 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.79 1ooh s THR 2 CO 0.05 -0.17 1.86 0.24 -0.54 0.00 0.00 174.62 176.05 1ooh h MET 3 N -0.64 1.18 -0.25 3.99 2.07 -1.99 -0.18 114.93 119.12 1ooh h MET 3 Ca -0.45 -0.15 0.02 0.00 -2.07 0.00 0.00 59.70 57.05 1ooh h MET 3 Cb 1.30 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 30.78 1ooh h MET 3 CO 0.62 0.88 0.10 0.93 1.07 0.00 0.00 176.91 180.52 1ooh h GLU 4 N 1.18 0.22 -0.74 1.72 5.08 -2.00 -0.77 114.58 119.27 1ooh h GLU 4 Ca 0.29 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1ooh h GLU 4 Cb 0.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ooh h GLU 4 CO -0.04 0.14 0.22 1.96 -1.00 0.00 0.00 179.01 180.29 1ooh h GLN 5 N 0.22 1.15 -0.13 2.33 4.20 -1.84 -2.68 115.11 118.37 1ooh h GLN 5 Ca 0.11 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ooh h GLN 5 Cb 0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ooh h GLN 5 CO -0.09 0.98 0.08 0.35 -0.67 0.00 0.00 178.83 179.48 1ooh h PHE 6 N 1.10 0.17 -0.68 2.96 3.57 -0.58 -0.10 116.94 123.38 1ooh h PHE 6 Ca 0.24 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1ooh h PHE 6 Cb 0.32 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1ooh h PHE 6 CO 0.03 0.14 0.43 -0.07 -2.23 0.00 0.00 178.31 176.61 1ooh h LEU 7 N 0.15 0.73 -0.80 0.59 3.38 -1.04 -1.68 115.31 116.63 1ooh h LEU 7 Ca 0.05 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1ooh h LEU 7 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ooh h LEU 7 CO -0.01 0.51 -0.28 0.74 0.09 0.00 0.00 178.44 179.50 1ooh h THR 8 N 0.86 1.28 -0.18 0.22 2.02 -1.36 -2.97 112.91 112.77 1ooh h THR 8 Ca 0.26 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 66.11 1ooh h THR 8 Cb -0.03 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1ooh h THR 8 CO -0.08 0.44 0.13 0.77 0.37 0.00 0.00 175.52 177.14 1ooh h SER 9 N 0.51 0.11 -0.76 4.18 4.64 -0.07 -1.93 113.55 120.22 1ooh h SER 9 Ca 0.07 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1ooh h SER 9 Cb 0.74 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 1ooh h SER 9 CO 0.06 0.07 0.45 -0.07 -0.87 0.00 0.00 176.83 176.47 1ooh h LEU 10 N 0.12 0.70 -0.50 5.97 3.38 -1.30 0.17 115.31 123.86 1ooh h LEU 10 Ca 0.08 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ooh h LEU 10 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ooh h LEU 10 CO -0.01 0.45 -0.36 0.44 0.09 0.00 0.00 178.44 179.05 1ooh h ASP 11 N 0.83 0.89 -0.55 -0.43 3.32 -1.50 -1.68 116.42 117.30 1ooh h ASP 11 Ca 0.34 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1ooh h ASP 11 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ooh h ASP 11 CO -0.18 1.15 -0.04 0.24 -1.72 0.00 0.00 179.24 178.69 1ooh h MET 12 N 0.70 1.00 -0.10 3.56 2.86 -1.16 -1.58 114.93 120.21 1ooh h MET 12 Ca 0.07 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1ooh h MET 12 Cb 0.92 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 1ooh h MET 12 CO 0.08 1.02 0.04 0.82 1.06 0.00 0.00 176.91 179.94 1ooh h ILE 13 N 0.88 1.15 -0.83 -1.22 2.04 -0.96 -2.83 117.51 115.74 1ooh h ILE 13 Ca 0.15 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.69 1ooh h ILE 13 Cb 0.60 1.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 1ooh h ILE 13 CO 0.04 0.13 0.45 -0.09 0.00 0.00 0.00 178.15 178.67 1ooh h ARG 14 N 0.01 0.68 0.00 2.37 2.43 -1.14 -1.58 114.38 117.15 1ooh h ARG 14 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ooh h ARG 14 Cb 0.17 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1ooh h ARG 14 CO -0.00 0.45 -0.02 0.77 -1.51 0.00 0.00 179.97 179.66 1ooh h SER 15 N 0.70 0.00 0.33 -3.80 0.02 -1.03 0.61 113.55 110.39 1ooh h SER 15 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1ooh h SER 15 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ooh h SER 15 CO -0.30 0.02 -0.26 0.61 -1.14 0.00 0.00 176.83 175.75 1ooh n GLY 16 N -1.07 -0.81 0.45 -3.77 0.00 -0.60 -4.51 105.19 94.88 1ooh n GLY 16 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ooh n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ooh h ALA 18 N 0.00 1.36 0.00 0.00 0.00 -1.17 -1.35 119.26 118.09 1ooh h ALA 18 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ooh h ALA 18 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ooh h ALA 18 CO 0.00 -0.10 0.00 -2.30 0.00 0.00 0.00 179.25 176.85 1ooh n PRO 19 N -4.87 0.11 0.00 0.00 -0.02 -1.26 -1.77 135.00 127.19 1ooh n PRO 19 Ca 0.19 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1ooh n PRO 19 Cb 0.48 -1.79 0.62 0.00 -0.02 0.00 0.00 33.50 32.78 1ooh n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ooh n LYS 20 N -2.01 0.04 -4.36 -0.52 5.02 -0.51 -4.92 118.16 110.90 1ooh n LYS 20 Ca 0.00 -0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1ooh n LYS 20 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1ooh n LYS 20 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ooh s PHE 21 N -2.96 1.67 -0.37 2.13 0.40 -0.73 -5.11 117.98 113.01 1ooh s PHE 21 Ca 0.15 -1.09 -0.10 0.00 -0.60 0.00 0.00 56.93 55.29 1ooh s PHE 21 Cb 0.19 -1.02 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1ooh s PHE 21 CO 0.53 -0.20 0.19 0.15 0.70 0.00 0.00 175.22 176.59 1ooh s LYS 22 N -3.97 2.86 0.07 0.44 1.02 -1.26 -5.00 119.74 113.89 1ooh s LYS 22 Ca 0.36 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.35 1ooh s LYS 22 Cb 0.08 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1ooh s LYS 22 CO 0.14 -0.67 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.25 1ooh s LEU 23 N 1.55 2.27 -0.11 3.17 1.43 -1.26 -4.70 118.68 121.03 1ooh s LEU 23 Ca 0.02 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1ooh s LEU 23 Cb -0.19 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1ooh s LEU 23 CO 0.06 -0.07 0.36 -0.54 0.23 0.00 0.00 176.35 176.39 1ooh s LYS 24 N -1.70 4.15 0.25 1.70 1.02 -1.26 -4.99 119.74 118.92 1ooh s LYS 24 Ca -0.02 0.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.17 1ooh s LYS 24 Cb -0.10 -3.37 0.35 0.00 -0.52 0.00 0.00 37.83 34.19 1ooh s LYS 24 CO 0.02 0.35 1.89 1.15 -0.92 0.00 0.00 175.35 177.84 1ooh h THR 25 N 4.43 1.12 -0.36 2.17 2.02 -2.00 -0.88 112.91 119.41 1ooh h THR 25 Ca -0.44 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1ooh h THR 25 Cb 1.18 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ooh h THR 25 CO 0.71 0.21 0.15 1.05 0.37 0.00 0.00 175.52 178.02 1ooh h GLU 26 N 1.17 0.51 -0.22 6.66 9.09 -1.99 0.46 114.58 130.25 1ooh h GLU 26 Ca 0.40 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.68 1ooh h GLU 26 Cb 0.08 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 1ooh h GLU 26 CO -0.15 0.42 -0.13 -0.44 0.05 0.00 0.00 179.01 178.76 1ooh h ASP 27 N 0.51 0.50 -0.80 3.06 3.32 -1.59 -2.23 116.42 119.19 1ooh h ASP 27 Ca 0.13 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1ooh h ASP 27 Cb 0.09 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1ooh h ASP 27 CO -0.01 0.82 0.38 -0.07 -1.72 0.00 0.00 179.24 178.63 1ooh h LEU 28 N 0.19 1.06 -0.66 1.55 3.38 -0.88 -1.46 115.31 118.49 1ooh h LEU 28 Ca 0.05 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ooh h LEU 28 Cb 0.64 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1ooh h LEU 28 CO 0.04 0.90 0.40 0.44 0.09 0.00 0.00 178.44 180.31 1ooh h ASP 29 N 1.14 0.64 -0.31 -0.43 3.32 -0.86 -0.24 116.42 119.68 1ooh h ASP 29 Ca 0.27 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 1ooh h ASP 29 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ooh h ASP 29 CO -0.03 0.44 0.04 0.03 -1.72 0.00 0.00 179.24 177.99 1ooh h ARG 30 N 0.77 0.52 -0.38 3.56 3.08 -0.98 -2.73 114.38 118.23 1ooh h ARG 30 Ca 0.27 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1ooh h ARG 30 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1ooh h ARG 30 CO -0.12 0.63 0.09 -0.07 -1.07 0.00 0.00 179.97 179.43 1ooh h LEU 31 N 0.34 0.51 -1.97 3.04 3.38 -1.03 -0.01 115.31 119.57 1ooh h LEU 31 Ca 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ooh h LEU 31 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ooh h LEU 31 CO 0.01 0.52 0.03 -0.09 0.09 0.00 0.00 178.44 179.00 1ooh h ARG 32 N 0.55 0.04 -0.62 1.13 9.65 -0.73 0.28 114.38 124.68 1ooh h ARG 32 Ca 0.13 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1ooh h ARG 32 Cb 0.21 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1ooh h ARG 32 CO -0.00 0.03 0.00 1.33 2.80 0.00 0.00 179.97 184.12 1ooh n VAL 33 N -4.53 1.69 -1.03 0.20 0.24 -0.98 -3.22 118.33 110.70 1ooh n VAL 33 Ca -0.02 -1.20 -0.01 0.00 -2.04 0.00 0.00 64.34 61.07 1ooh n VAL 33 Cb 0.11 0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1ooh n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ooh n GLY 34 N 1.06 0.47 3.34 7.63 0.00 0.06 -4.62 105.19 113.13 1ooh n GLY 34 Ca 0.24 -0.86 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 1ooh n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ooh s ASP 35 N -2.81 6.43 -0.17 1.61 -1.08 -0.05 -4.85 116.67 115.75 1ooh s ASP 35 Ca 0.00 -2.05 0.16 0.00 -0.52 0.00 0.00 52.55 50.14 1ooh s ASP 35 Cb 0.00 -2.25 0.75 0.00 -1.46 0.00 0.00 42.92 39.97 1ooh s ASP 35 CO 0.00 -0.83 1.67 0.49 0.52 0.00 0.00 175.17 177.02 1ooh n PHE 36 N 5.15 1.71 -1.57 -5.34 3.01 -1.26 -3.69 117.46 115.47 1ooh n PHE 36 Ca -0.00 -0.68 -0.34 0.00 1.01 0.00 0.00 57.45 57.44 1ooh n PHE 36 Cb 0.44 -0.36 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1ooh n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ooh n ASN 37 N 0.81 7.71 -3.50 4.37 3.02 -1.26 -4.80 115.26 121.60 1ooh n ASN 37 Ca 0.26 -2.88 -0.16 0.00 -0.03 0.00 0.00 54.58 51.78 1ooh n ASN 37 Cb 1.02 -1.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 1ooh n ASN 37 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1ooh s PHE 38 N 0.13 -0.59 0.02 3.10 -0.12 -1.26 -5.14 117.98 114.13 1ooh s PHE 38 Ca 0.62 0.87 -0.30 0.00 -0.05 0.00 0.00 56.93 58.06 1ooh s PHE 38 Cb 0.23 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 43.00 1ooh s PHE 38 CO -0.09 -0.63 1.55 -2.14 -0.05 0.00 0.00 175.22 173.86 1ooh s PRO 39 N -1.81 4.23 0.23 1.99 0.02 -1.26 -5.00 135.00 133.39 1ooh s PRO 39 Ca -0.07 2.17 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 1ooh s PRO 39 Cb -0.00 -3.64 -0.08 0.00 0.02 0.00 0.00 34.50 30.79 1ooh s PRO 39 CO 0.03 -0.69 0.69 -1.25 -0.33 0.00 0.00 177.00 175.45 1ooh s PRO 40 N 2.75 4.14 0.80 5.54 0.04 -1.26 -5.08 135.00 141.93 1ooh s PRO 40 Ca 0.70 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1ooh s PRO 40 Cb -0.36 -2.80 0.07 0.00 0.04 0.00 0.00 34.50 31.45 1ooh s PRO 40 CO 0.29 0.37 1.10 -1.54 0.04 0.00 0.00 177.00 177.26 1ooh s SER 41 N -1.79 4.51 0.24 6.66 1.04 -1.26 -4.90 113.70 118.19 1ooh s SER 41 Ca 0.44 1.28 -0.07 0.00 0.48 0.00 0.00 55.95 58.09 1ooh s SER 41 Cb -0.15 -2.01 0.26 0.00 0.10 0.00 0.00 66.02 64.22 1ooh s SER 41 CO 0.20 -1.96 1.90 -0.61 0.98 0.00 0.00 173.24 173.75 1ooh h GLN 42 N -1.08 1.17 -0.63 4.02 4.15 -1.98 -1.49 115.11 119.27 1ooh h GLN 42 Ca -0.47 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 58.92 1ooh h GLN 42 Cb 1.27 -0.26 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 1ooh h GLN 42 CO 0.60 0.77 0.37 -0.44 -1.93 0.00 0.00 178.83 178.19 1ooh h ASP 43 N 1.20 0.57 -0.66 -0.69 5.19 -1.93 -0.15 116.42 119.95 1ooh h ASP 43 Ca 0.35 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.70 1ooh h ASP 43 Cb -0.07 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 1ooh h ASP 43 CO -0.10 0.39 0.12 0.25 -3.12 0.00 0.00 179.24 176.78 1ooh h LEU 44 N 0.70 1.04 -0.40 1.55 5.85 -1.70 0.65 115.31 123.00 1ooh h LEU 44 Ca 0.26 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ooh h LEU 44 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1ooh h LEU 44 CO -0.13 1.03 0.19 0.24 -0.34 0.00 0.00 178.44 179.43 1ooh h MET 45 N 1.01 0.58 0.00 1.25 2.86 -0.88 -2.22 114.93 117.53 1ooh h MET 45 Ca 0.20 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1ooh h MET 45 Cb 0.42 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1ooh h MET 45 CO 0.01 0.51 -0.32 0.00 1.06 0.00 0.00 176.91 178.16 1ooh h TYR 47 N 0.00 0.92 -0.37 0.00 3.20 -0.53 -0.39 116.97 119.80 1ooh h TYR 47 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1ooh h TYR 47 Cb 0.61 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1ooh h TYR 47 CO 0.00 0.58 -0.02 1.79 -1.64 0.00 0.00 178.16 178.87 1ooh h THR 48 N 1.00 1.21 -0.34 1.81 1.35 -0.74 -1.35 112.91 115.84 1ooh h THR 48 Ca 0.27 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 1ooh h THR 48 Cb -0.11 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 1ooh h THR 48 CO -0.06 0.30 0.13 0.50 -0.25 0.00 0.00 175.52 176.14 1ooh h LYS 49 N 0.56 0.52 -0.55 4.72 3.64 -0.95 -1.46 116.57 123.05 1ooh h LYS 49 Ca 0.11 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1ooh h LYS 49 Cb 0.38 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1ooh h LYS 49 CO 0.01 0.52 0.25 0.00 -2.27 0.00 0.00 179.45 177.96 1ooh h VAL 51 N 0.47 1.20 -0.06 0.00 2.07 -1.13 -2.03 116.25 116.77 1ooh h VAL 51 Ca 0.26 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1ooh h VAL 51 Cb 0.23 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ooh h VAL 51 CO -0.22 0.21 -0.65 0.28 0.02 0.00 0.00 177.57 177.21 1ooh h SER 52 N 0.89 0.31 -0.68 0.57 0.02 -0.71 -2.10 113.55 111.84 1ooh h SER 52 Ca 0.23 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1ooh h SER 52 Cb 0.00 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1ooh h SER 52 CO -0.04 0.87 0.29 -0.07 -1.14 0.00 0.00 176.83 176.75 1ooh h LEU 53 N 0.19 0.92 -1.03 5.07 3.38 -0.62 -0.84 115.31 122.38 1ooh h LEU 53 Ca -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1ooh h LEU 53 Cb 1.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1ooh h LEU 53 CO 0.10 0.82 0.45 -0.03 0.09 0.00 0.00 178.44 179.88 1ooh h MET 54 N 0.96 1.13 0.00 1.13 4.05 -1.08 -2.31 114.93 118.80 1ooh h MET 54 Ca 0.23 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1ooh h MET 54 Cb 0.17 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1ooh h MET 54 CO -0.02 0.82 -0.01 0.00 0.23 0.00 0.00 176.91 177.93 1ooh h ALA 55 N 1.36 1.00 -0.10 0.39 0.00 -0.91 -3.47 119.26 117.54 1ooh h ALA 55 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1ooh h ALA 55 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ooh h ALA 55 CO -0.05 0.01 -0.03 0.41 0.00 0.00 0.00 179.25 179.60 1ooh n GLY 56 N 0.35 0.48 0.01 0.00 0.00 -0.37 -4.95 105.19 100.72 1ooh n GLY 56 Ca 0.02 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.16 1ooh n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ooh n THR 57 N -3.09 0.06 -4.17 2.61 -2.24 -0.93 -4.68 114.28 101.84 1ooh n THR 57 Ca -0.02 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1ooh n THR 57 Cb 0.11 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.73 1ooh n THR 57 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ooh s VAL 58 N -3.09 0.64 0.58 2.28 -7.23 -1.25 -1.25 120.40 111.09 1ooh s VAL 58 Ca 0.07 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.35 1ooh s VAL 58 Cb 0.16 -1.74 0.11 0.00 0.56 0.00 0.00 36.38 35.47 1ooh s VAL 58 CO 0.80 -0.82 0.81 -0.46 -0.31 0.00 0.00 175.10 175.11 1ooh n ASN 59 N -0.06 1.58 0.13 4.85 0.23 -0.92 -4.61 115.26 116.46 1ooh n ASN 59 Ca -0.11 -2.21 0.12 0.00 -0.53 0.00 0.00 54.58 51.84 1ooh n ASN 59 Cb 0.61 -0.48 0.49 0.00 -2.08 0.00 0.00 39.78 38.32 1ooh n ASN 59 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ooh n LYS 60 N -2.38 0.20 -0.02 -3.83 5.02 -1.26 -0.50 118.16 115.39 1ooh n LYS 60 Ca 0.15 0.41 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1ooh n LYS 60 Cb 0.54 -1.87 0.58 0.00 -0.02 0.00 0.00 35.03 34.26 1ooh n LYS 60 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ooh n LYS 61 N -2.25 1.34 -1.08 1.97 5.02 -1.26 -4.88 118.16 117.03 1ooh n LYS 61 Ca 0.02 -0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 55.79 1ooh n LYS 61 Cb 0.24 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1ooh n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ooh n GLY 62 N 1.01 0.59 3.69 0.72 0.00 0.35 -4.12 105.19 107.42 1ooh n GLY 62 Ca 0.18 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1ooh n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ooh s GLU 63 N -1.54 4.44 0.07 1.61 2.02 -1.26 -4.17 118.70 119.87 1ooh s GLU 63 Ca 0.00 1.38 -0.30 0.00 0.02 0.00 0.00 54.97 56.07 1ooh s GLU 63 Cb 0.00 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1ooh s GLU 63 CO 0.00 -0.27 0.98 0.12 0.02 0.00 0.00 175.26 176.11 1ooh s PHE 64 N 1.85 3.73 -0.62 1.61 5.36 -1.26 -2.17 117.98 126.48 1ooh s PHE 64 Ca 0.48 1.74 -0.06 0.00 -0.96 0.00 0.00 56.93 58.14 1ooh s PHE 64 Cb -0.19 -3.10 0.16 0.00 -0.34 0.00 0.00 43.02 39.56 1ooh s PHE 64 CO 0.19 0.06 0.47 1.21 -1.46 0.00 0.00 175.22 175.68 1ooh s ASN 65 N 0.43 5.57 0.11 6.13 3.84 -0.38 -4.99 114.94 125.66 1ooh s ASN 65 Ca 0.49 -2.63 -0.20 0.00 0.21 0.00 0.00 52.86 50.73 1ooh s ASN 65 Cb -0.23 -1.94 -0.08 0.00 -0.55 0.00 0.00 41.25 38.46 1ooh s ASN 65 CO 0.29 -0.46 1.76 0.00 -2.79 0.00 0.00 177.10 175.90 1ooh h ALA 66 N 7.44 0.18 -0.65 1.71 0.00 -1.90 0.13 119.26 126.17 1ooh h ALA 66 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ooh h ALA 66 Cb 0.99 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1ooh h ALA 66 CO 0.74 -0.36 0.30 -1.35 0.00 0.00 0.00 179.25 178.58 1ooh h PRO 67 N 0.16 0.52 -0.25 0.00 0.11 -1.99 0.40 132.00 130.95 1ooh h PRO 67 Ca 0.06 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.98 1ooh h PRO 67 Cb 0.01 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1ooh h PRO 67 CO -0.04 0.34 -0.50 -0.22 -0.21 0.00 0.00 178.00 177.37 1ooh h LYS 68 N 0.53 0.68 -0.57 1.05 3.64 -1.83 -1.85 116.57 118.23 1ooh h LYS 68 Ca 0.32 -0.40 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ooh h LYS 68 Cb 0.34 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1ooh h LYS 68 CO -0.26 1.02 0.38 0.00 -2.27 0.00 0.00 179.45 178.31 1ooh h ALA 69 N 0.91 0.73 -0.76 5.00 0.00 -0.24 0.18 119.26 125.08 1ooh h ALA 69 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ooh h ALA 69 Cb 1.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1ooh h ALA 69 CO 0.10 0.17 0.33 -0.07 0.00 0.00 0.00 179.25 179.77 1ooh h LEU 70 N 0.78 1.02 -1.01 0.00 3.38 -0.75 -1.27 115.31 117.46 1ooh h LEU 70 Ca 0.21 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1ooh h LEU 70 Cb -0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1ooh h LEU 70 CO -0.04 0.89 -0.46 0.00 0.09 0.00 0.00 178.44 178.91 1ooh h ALA 71 N 1.26 1.17 0.00 1.53 0.00 -0.69 -3.08 119.26 119.45 1ooh h ALA 71 Ca 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ooh h ALA 71 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ooh h ALA 71 CO -0.03 0.59 -0.28 1.04 0.00 0.00 0.00 179.25 180.58 1ooh n GLN 72 N -3.99 0.22 -0.25 0.00 1.13 0.59 -4.45 117.38 110.62 1ooh n GLN 72 Ca -0.02 0.12 0.06 0.00 -1.94 0.00 0.00 57.00 55.22 1ooh n GLN 72 Cb 0.49 -1.69 0.18 0.00 0.11 0.00 0.00 30.24 29.33 1ooh n GLN 72 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ooh h LEU 73 N 0.00 -0.17 -2.77 1.08 3.38 -1.17 0.87 115.31 116.53 1ooh h LEU 73 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ooh h LEU 73 Cb 0.69 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ooh h LEU 73 CO 0.00 -0.12 0.05 -0.65 0.09 0.00 0.00 178.44 177.81 1ooh h PRO 74 N 0.17 0.00 -0.02 1.13 0.11 -1.80 0.65 132.00 132.24 1ooh h PRO 74 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1ooh h PRO 74 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ooh h PRO 74 CO -0.60 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 177.87 1ooh n HIS 75 N -3.20 0.00 -0.01 0.65 8.25 0.28 -4.07 115.22 117.12 1ooh n HIS 75 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1ooh n HIS 75 Cb 0.12 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1ooh n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ooh n LEU 76 N 0.49 1.99 -4.16 2.41 4.77 0.06 -5.04 117.00 117.53 1ooh n LEU 76 Ca 0.16 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1ooh n LEU 76 Cb 0.44 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1ooh n LEU 76 CO 0.17 0.38 -0.40 0.68 -1.33 0.00 0.00 177.39 176.90 1ooh s VAL 77 N -2.06 0.79 0.68 4.08 -7.23 -0.27 -4.99 120.40 111.40 1ooh s VAL 77 Ca -0.03 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1ooh s VAL 77 Cb 0.01 -1.36 -0.00 0.00 0.56 0.00 0.00 36.38 35.59 1ooh s VAL 77 CO 0.08 -0.65 1.06 -2.16 -0.31 0.00 0.00 175.10 173.12 1ooh s PRO 78 N -2.98 3.08 0.33 4.82 0.04 -1.26 -4.56 135.00 134.47 1ooh s PRO 78 Ca 0.05 0.84 0.12 0.00 0.04 0.00 0.00 61.00 62.05 1ooh s PRO 78 Cb -0.01 -2.01 1.00 0.00 0.04 0.00 0.00 34.50 33.51 1ooh s PRO 78 CO -0.02 -0.97 1.68 -1.35 0.04 0.00 0.00 177.00 176.38 1ooh h PRO 79 N -0.62 0.37 -0.25 0.56 0.11 -1.96 0.50 132.00 130.72 1ooh h PRO 79 Ca -0.44 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1ooh h PRO 79 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ooh h PRO 79 CO 0.59 0.24 0.23 0.93 -0.21 0.00 0.00 178.00 179.78 1ooh h GLU 80 N 0.38 0.00 -0.14 1.05 3.07 -1.93 -2.15 114.58 114.87 1ooh h GLU 80 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 1ooh h GLU 80 Cb 1.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 1ooh h GLU 80 CO -0.58 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.70 1ooh n MET 81 N -4.02 1.49 0.01 2.33 2.81 0.15 -4.71 117.12 115.18 1ooh n MET 81 Ca 0.03 -1.58 -0.12 0.00 -1.81 0.00 0.00 57.70 54.22 1ooh n MET 81 Cb 0.37 -1.29 -0.06 0.00 -0.71 0.00 0.00 33.22 31.53 1ooh n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1ooh h MET 82 N 2.69 0.07 -0.45 0.03 2.86 -1.17 -1.82 114.93 117.15 1ooh h MET 82 Ca 0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1ooh h MET 82 Cb 0.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1ooh h MET 82 CO 0.00 0.09 -0.03 1.49 1.06 0.00 0.00 176.91 179.52 1ooh h GLU 83 N 0.04 0.81 -0.81 1.72 4.57 -1.84 0.13 114.58 119.20 1ooh h GLU 83 Ca 0.02 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 57.98 1ooh h GLU 83 Cb 0.03 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 1ooh h GLU 83 CO -0.00 0.89 0.50 1.98 -1.18 0.00 0.00 179.01 181.19 1ooh h MET 84 N 0.65 0.90 -0.30 1.92 4.05 -1.86 -0.39 114.93 119.90 1ooh h MET 84 Ca 0.12 -0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.31 1ooh h MET 84 Cb 0.54 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1ooh h MET 84 CO 0.03 0.60 -0.50 0.77 0.23 0.00 0.00 176.91 178.03 1ooh h SER 85 N 0.93 0.96 -0.69 1.39 0.02 -0.92 -1.30 113.55 113.93 1ooh h SER 85 Ca 0.35 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1ooh h SER 85 Cb 0.13 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1ooh h SER 85 CO -0.16 1.30 0.41 0.03 -1.14 0.00 0.00 176.83 177.27 1ooh h ARG 86 N 0.65 0.95 -0.67 3.45 3.08 -0.41 0.11 114.38 121.54 1ooh h ARG 86 Ca 0.02 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ooh h ARG 86 Cb 1.11 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1ooh h ARG 86 CO 0.11 0.68 0.42 -0.22 -1.07 0.00 0.00 179.97 179.90 1ooh h LYS 87 N 0.95 0.90 -0.22 0.04 3.64 -0.95 -2.21 116.57 118.72 1ooh h LYS 87 Ca 0.25 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 1ooh h LYS 87 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1ooh h LYS 87 CO -0.04 0.63 -0.46 0.77 -2.27 0.00 0.00 179.45 178.07 1ooh h SER 88 N 0.91 0.61 -0.32 4.20 0.02 -0.70 -1.73 113.55 116.54 1ooh h SER 88 Ca 0.24 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1ooh h SER 88 Cb -0.06 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1ooh h SER 88 CO -0.05 0.98 0.09 0.58 -1.14 0.00 0.00 176.83 177.30 1ooh h VAL 89 N 0.46 0.89 -0.56 2.27 2.07 -0.55 -0.34 116.25 120.49 1ooh h VAL 89 Ca 0.03 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1ooh h VAL 89 Cb 0.98 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1ooh h VAL 89 CO 0.09 0.04 0.16 -0.08 0.02 0.00 0.00 177.57 177.80 1ooh h GLU 90 N 0.22 0.88 0.00 1.57 4.57 -1.26 -0.82 114.58 119.74 1ooh h GLU 90 Ca 0.15 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1ooh h GLU 90 Cb 0.13 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1ooh h GLU 90 CO -0.17 0.81 -0.40 0.00 -1.18 0.00 0.00 179.01 178.07 1ooh h ALA 91 N 1.03 1.22 -0.23 2.92 0.00 -0.98 -3.27 119.26 119.94 1ooh h ALA 91 Ca 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ooh h ALA 91 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ooh h ALA 91 CO -0.00 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1ooh h ARG 93 N 1.53 0.00 -0.14 0.00 0.11 -1.20 -2.86 114.38 111.81 1ooh h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ooh h ARG 93 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1ooh h ARG 93 CO 0.00 0.11 0.00 -0.25 0.10 0.00 0.00 179.97 179.93 1ooh n ASP 94 N -3.54 2.66 -0.33 0.08 8.00 -1.26 -4.58 116.55 117.59 1ooh n ASP 94 Ca -0.02 -1.78 0.06 0.00 0.71 0.00 0.00 54.79 53.76 1ooh n ASP 94 Cb 0.25 -0.08 0.21 0.00 -0.02 0.00 0.00 41.12 41.48 1ooh n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ooh h THR 95 N 3.31 0.88 0.00 -3.53 2.02 -1.83 -1.31 112.91 112.46 1ooh h THR 95 Ca 0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ooh h THR 95 Cb 0.75 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1ooh h THR 95 CO 0.00 0.16 -0.00 1.12 0.37 0.00 0.00 175.52 177.17 1ooh h HIS 96 N 0.87 0.00 0.00 3.16 2.07 -1.80 -2.12 115.15 117.33 1ooh h HIS 96 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1ooh h HIS 96 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1ooh h HIS 96 CO -0.04 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.70 1ooh h LYS 97 N 0.00 0.00 -0.00 5.12 1.57 -1.57 -2.73 116.57 118.96 1ooh h LYS 97 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ooh h LYS 97 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ooh h LYS 97 CO 0.00 0.00 -0.10 1.04 -0.57 0.00 0.00 179.45 179.82 1ooh n GLN 98 N -2.76 0.12 -4.23 3.15 6.02 -0.79 -4.88 117.38 114.01 1ooh n GLN 98 Ca 0.01 -0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 1ooh n GLN 98 Cb 0.26 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.91 1ooh n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ooh s PHE 99 N -2.90 1.37 -0.17 1.08 0.40 -1.03 -5.07 117.98 111.66 1ooh s PHE 99 Ca 0.17 -0.53 0.12 0.00 -0.60 0.00 0.00 56.93 56.09 1ooh s PHE 99 Cb 0.19 -0.73 -0.19 0.00 0.51 0.00 0.00 43.02 42.80 1ooh s PHE 99 CO 0.55 0.12 0.02 1.63 0.70 0.00 0.00 175.22 178.24 1ooh n LYS 100 N 0.72 1.21 -3.07 0.44 5.02 -1.26 -4.86 118.16 116.35 1ooh n LYS 100 Ca -0.17 0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 1ooh n LYS 100 Cb 0.56 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 1ooh n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ooh s GLU 101 N -2.40 4.43 0.19 1.97 -6.30 -1.26 -4.96 118.70 110.37 1ooh s GLU 101 Ca -0.11 0.96 -0.12 0.00 -2.50 0.00 0.00 54.97 53.20 1ooh s GLU 101 Cb 0.05 -3.32 0.12 0.00 0.00 0.00 0.00 34.13 30.98 1ooh s GLU 101 CO 0.64 0.41 1.84 0.66 0.02 0.00 0.00 175.26 178.82 1ooh h SER 102 N 5.25 0.65 -0.45 -1.70 4.64 -1.90 -0.39 113.55 119.64 1ooh h SER 102 Ca -0.46 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1ooh h SER 102 Cb 1.21 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1ooh h SER 102 CO 0.69 0.46 -0.04 0.00 -0.87 0.00 0.00 176.83 177.06 1ooh h GLU 104 N 0.67 0.92 -0.63 0.00 4.57 -1.79 -0.58 114.58 117.74 1ooh h GLU 104 Ca 0.12 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1ooh h GLU 104 Cb 0.56 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 1ooh h GLU 104 CO 0.03 0.66 0.33 0.00 -1.18 0.00 0.00 179.01 178.86 1ooh h ARG 105 N 0.91 0.60 -0.06 1.92 3.08 -0.85 -0.09 114.38 119.89 1ooh h ARG 105 Ca 0.24 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1ooh h ARG 105 Cb -0.01 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1ooh h ARG 105 CO -0.04 0.40 -0.15 0.28 -1.07 0.00 0.00 179.97 179.38 1ooh h VAL 106 N 0.62 1.42 -0.35 2.04 2.07 -1.17 -2.53 116.25 118.35 1ooh h VAL 106 Ca 0.28 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.35 1ooh h VAL 106 Cb 0.19 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 1ooh h VAL 106 CO -0.19 0.42 0.12 0.22 0.02 0.00 0.00 177.57 178.16 1ooh h TYR 107 N -0.28 0.21 -0.18 1.57 3.20 -0.89 0.25 116.97 120.85 1ooh h TYR 107 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1ooh h TYR 107 Cb 0.75 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1ooh h TYR 107 CO 0.12 0.09 -0.11 1.96 -1.64 0.00 0.00 178.16 178.57 1ooh h GLN 108 N 0.27 0.29 -0.24 1.82 1.08 -1.07 0.64 115.11 117.90 1ooh h GLN 108 Ca 0.16 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1ooh h GLN 108 Cb 0.14 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1ooh h GLN 108 CO -0.17 0.41 -0.09 1.15 -0.95 0.00 0.00 178.83 179.19 1ooh h THR 109 N 0.27 1.29 -0.88 -0.54 2.02 -0.88 -0.86 112.91 113.34 1ooh h THR 109 Ca 0.06 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1ooh h THR 109 Cb 0.38 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1ooh h THR 109 CO 0.02 0.35 0.52 0.00 0.37 0.00 0.00 175.52 176.78 1ooh h ALA 110 N 0.74 1.13 -0.61 6.16 0.00 -0.49 0.01 119.26 126.20 1ooh h ALA 110 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ooh h ALA 110 Cb 0.57 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ooh h ALA 110 CO 0.03 0.60 0.32 -0.22 0.00 0.00 0.00 179.25 179.98 1ooh h LYS 111 N 1.22 0.86 -0.61 0.00 3.64 -0.80 -1.06 116.57 119.83 1ooh h LYS 111 Ca 0.32 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1ooh h LYS 111 Cb -0.03 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1ooh h LYS 111 CO -0.06 0.67 0.38 0.00 -2.27 0.00 0.00 179.45 178.17 1ooh h PHE 113 N 0.76 0.89 -0.13 0.00 0.04 -0.45 0.30 116.94 118.35 1ooh h PHE 113 Ca 0.24 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.95 1ooh h PHE 113 Cb -0.02 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 1ooh h PHE 113 CO -0.05 0.50 -0.29 0.66 -0.60 0.00 0.00 178.31 178.54 1ooh h SER 114 N 0.92 0.24 0.78 2.17 4.64 -0.45 -0.59 113.55 121.26 1ooh h SER 114 Ca 0.31 -0.08 -0.25 0.00 -0.47 0.00 0.00 61.79 61.30 1ooh h SER 114 Cb 0.03 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1ooh h SER 114 CO -0.12 0.53 -1.20 -0.33 -0.87 0.00 0.00 176.83 174.84 1ooh h GLU 115 N 0.21 0.11 0.00 4.77 5.08 -0.74 -3.30 114.58 120.71 1ooh h GLU 115 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ooh h GLU 115 Cb 0.62 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1ooh h GLU 115 CO 0.05 1.03 -0.53 -0.97 -1.00 0.00 0.00 179.01 177.59 1ooh h ASN 116 N 0.03 0.00 -1.88 1.42 -0.73 -0.79 -3.46 115.58 110.17 1ooh h ASN 116 Ca -0.10 -0.08 -0.66 0.00 1.87 0.00 0.00 56.30 57.33 1ooh h ASN 116 Cb 1.88 0.00 0.03 0.00 0.27 0.00 0.00 38.32 40.50 1ooh h ASN 116 CO 0.15 0.04 0.94 0.00 -0.37 0.00 0.00 177.43 178.19 1ooh n ALA 117 N -1.97 0.43 0.32 1.57 0.00 -0.24 -4.83 120.51 115.79 1ooh n ALA 117 Ca 0.03 0.36 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1ooh n ALA 117 Cb 0.49 -2.36 0.21 0.00 0.00 0.00 0.00 19.45 17.79 1ooh n ALA 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ooh n ASP 118 N 5.47 2.91 -0.81 0.00 3.85 -1.26 -4.87 116.55 121.85 1ooh n ASP 118 Ca 0.23 -2.23 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 1ooh n ASP 118 Cb 0.23 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 1ooh n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ooh n GLY 119 N 0.83 3.20 3.75 6.12 0.00 -1.26 -5.13 105.19 112.70 1ooh n GLY 119 Ca 0.15 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1ooh n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ooh s GLN 120 N -1.42 4.31 -0.06 1.61 -0.21 -1.26 -5.01 119.66 117.62 1ooh s GLN 120 Ca 0.00 2.24 0.05 0.00 0.02 0.00 0.00 55.36 57.67 1ooh s GLN 120 Cb 0.00 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 1ooh s GLN 120 CO 0.00 -0.35 -0.19 0.12 -2.12 0.00 0.00 175.29 172.75 1ooh s PHE 121 N -0.20 2.57 -0.05 0.91 2.19 -1.26 -5.09 117.98 117.04 1ooh s PHE 121 Ca 0.57 -0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.43 1ooh s PHE 121 Cb -0.40 -1.62 0.01 0.00 -1.31 0.00 0.00 43.02 39.69 1ooh s PHE 121 CO 0.44 -0.01 -0.11 -1.64 1.83 0.00 0.00 175.22 175.73 1ooh s MET 122 N -0.43 1.37 -0.06 10.12 -1.94 -1.26 -2.23 119.30 124.87 1ooh s MET 122 Ca 0.05 -0.36 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1ooh s MET 122 Cb -0.12 -1.19 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1ooh s MET 122 CO 0.02 0.06 -0.06 -0.46 -0.01 0.00 0.00 175.02 174.57 1ooh s TRP 123 N 0.49 2.95 -1.51 -0.03 -0.11 -1.06 -4.94 118.94 114.72 1ooh s TRP 123 Ca -0.10 0.03 0.00 0.00 1.22 0.00 0.00 56.10 57.25 1ooh s TRP 123 Cb -0.13 -1.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.13 1ooh s TRP 123 CO 0.02 0.34 0.38 -2.30 -4.62 0.00 0.00 176.95 170.77