#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 0.43 0.11 7.33 0.09 -1.26 -4.64 115.29 117.35 1ooh s HIS 0 Ca 0.00 -0.93 0.10 0.00 -0.00 0.00 0.00 55.06 54.23 1ooh s HIS 0 Cb 0.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 32.58 32.23 1ooh s HIS 0 CO 0.00 -0.40 -0.23 0.00 -0.00 0.00 0.00 174.74 174.11 1ooh s MET 1 N -3.72 1.61 0.68 1.40 0.00 -1.26 -5.08 119.30 112.93 1ooh s MET 1 Ca 0.05 -1.25 -0.07 0.00 0.00 0.00 0.00 55.69 54.42 1ooh s MET 1 Cb 0.06 -2.00 0.04 0.00 0.00 0.00 0.00 34.83 32.94 1ooh s MET 1 CO -0.09 0.47 1.01 0.95 0.00 0.00 0.00 175.02 177.35 1ooh s THR 2 N -1.05 2.78 0.27 3.16 -4.23 -1.26 -4.20 115.64 111.10 1ooh s THR 2 Ca 0.15 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.54 1ooh s THR 2 Cb -0.10 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.76 1ooh s THR 2 CO 0.07 -0.20 1.88 -0.03 -0.54 0.00 0.00 174.62 175.79 1ooh h MET 3 N -0.52 1.07 -0.31 3.99 4.05 -1.99 -0.16 114.93 121.06 1ooh h MET 3 Ca -0.45 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 1ooh h MET 3 Cb 1.29 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 1ooh h MET 3 CO 0.61 0.81 0.20 1.49 0.23 0.00 0.00 176.91 180.25 1ooh h GLU 4 N 1.07 0.40 -0.66 0.39 4.81 -2.00 -0.77 114.58 117.82 1ooh h GLU 4 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1ooh h GLU 4 Cb 0.08 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ooh h GLU 4 CO -0.04 0.26 0.14 1.96 -0.73 0.00 0.00 179.01 180.60 1ooh h GLN 5 N 0.41 1.06 -0.01 1.92 4.20 -1.83 -2.67 115.11 118.19 1ooh h GLN 5 Ca 0.11 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1ooh h GLN 5 Cb -0.04 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1ooh h GLN 5 CO -0.03 0.95 -0.00 0.35 -0.67 0.00 0.00 178.83 179.43 1ooh h PHE 6 N 1.00 -0.01 -0.70 2.96 3.57 -0.54 0.01 116.94 123.23 1ooh h PHE 6 Ca 0.21 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1ooh h PHE 6 Cb 0.38 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1ooh h PHE 6 CO 0.03 -0.01 0.43 -0.07 -2.23 0.00 0.00 178.31 176.46 1ooh h LEU 7 N -0.00 0.70 -0.74 0.59 3.38 -1.04 -1.79 115.31 116.40 1ooh h LEU 7 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1ooh h LEU 7 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ooh h LEU 7 CO -0.01 0.48 -0.26 0.74 0.09 0.00 0.00 178.44 179.48 1ooh h THR 8 N 0.84 1.27 -0.43 0.22 2.02 -1.36 -2.97 112.91 112.49 1ooh h THR 8 Ca 0.28 -1.36 0.09 0.00 0.77 0.00 0.00 66.41 66.20 1ooh h THR 8 Cb 0.04 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1ooh h THR 8 CO -0.12 0.44 0.30 0.77 0.37 0.00 0.00 175.52 177.28 1ooh h SER 9 N 0.59 0.17 -0.69 4.18 4.64 -0.12 -1.80 113.55 120.52 1ooh h SER 9 Ca 0.08 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1ooh h SER 9 Cb 0.75 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1ooh h SER 9 CO 0.06 0.11 0.41 -0.07 -0.87 0.00 0.00 176.83 176.46 1ooh h LEU 10 N 0.20 0.63 -0.51 5.97 3.38 -1.31 0.36 115.31 124.02 1ooh h LEU 10 Ca 0.20 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 1ooh h LEU 10 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ooh h LEU 10 CO -0.03 0.41 -0.28 0.44 0.09 0.00 0.00 178.44 179.07 1ooh h ASP 11 N 0.76 0.96 -0.50 -0.43 3.32 -1.48 -1.81 116.42 117.24 1ooh h ASP 11 Ca 0.30 -0.39 -0.10 0.00 0.02 0.00 0.00 57.03 56.87 1ooh h ASP 11 Cb 0.14 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1ooh h ASP 11 CO -0.16 1.17 -0.07 0.24 -1.72 0.00 0.00 179.24 178.70 1ooh h MET 12 N 0.78 0.93 -0.10 3.56 2.86 -1.13 -1.58 114.93 120.25 1ooh h MET 12 Ca 0.09 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1ooh h MET 12 Cb 0.85 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1ooh h MET 12 CO 0.07 0.99 0.06 0.82 1.06 0.00 0.00 176.91 179.91 1ooh h ILE 13 N 0.79 1.07 -0.86 -1.22 2.04 -0.93 -2.81 117.51 115.59 1ooh h ILE 13 Ca 0.13 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1ooh h ILE 13 Cb 0.61 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 1ooh h ILE 13 CO 0.04 0.07 0.48 -0.09 0.00 0.00 0.00 178.15 178.65 1ooh h ARG 14 N 0.09 0.75 0.00 2.37 2.43 -1.15 -1.61 114.38 117.26 1ooh h ARG 14 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ooh h ARG 14 Cb 0.06 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1ooh h ARG 14 CO -0.01 0.49 -0.01 0.77 -1.51 0.00 0.00 179.97 179.70 1ooh h SER 15 N 0.77 0.00 0.33 -3.80 0.02 -1.02 0.55 113.55 110.40 1ooh h SER 15 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1ooh h SER 15 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1ooh h SER 15 CO -0.28 0.01 -0.26 0.61 -1.14 0.00 0.00 176.83 175.77 1ooh n GLY 16 N -1.15 -0.81 0.44 -3.77 0.00 -0.61 -4.52 105.19 94.76 1ooh n GLY 16 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 1.33 0.00 0.00 0.00 -1.19 -1.50 119.26 117.91 1ooh h ALA 18 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ooh h ALA 18 Cb 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ooh h ALA 18 CO 0.00 -0.07 0.00 -2.30 0.00 0.00 0.00 179.25 176.88 1ooh n PRO 19 N -4.85 0.13 0.00 0.00 -0.02 -1.26 -1.73 135.00 127.27 1ooh n PRO 19 Ca 0.18 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 1ooh n PRO 19 Cb 0.44 -1.84 0.63 0.00 -0.02 0.00 0.00 33.50 32.71 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 -2.10 0.20 -4.38 -0.52 5.02 -0.56 -4.92 118.16 110.89 1ooh n LYS 20 Ca 0.00 -0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 1ooh n LYS 20 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.82 1.72 -0.37 2.13 0.40 -0.70 -5.11 117.98 113.22 1ooh s PHE 21 Ca 0.20 -1.09 -0.11 0.00 -0.60 0.00 0.00 56.93 55.32 1ooh s PHE 21 Cb 0.19 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.69 1ooh s PHE 21 CO 0.52 -0.20 0.20 0.21 0.70 0.00 0.00 175.22 176.65 1ooh s LYS 22 N -3.97 2.80 0.06 0.44 2.20 -1.26 -5.00 119.74 115.02 1ooh s LYS 22 Ca 0.37 -1.09 0.05 0.00 -0.36 0.00 0.00 55.97 54.94 1ooh s LYS 22 Cb 0.08 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1ooh s LYS 22 CO 0.15 -0.70 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.79 1ooh s LEU 23 N 1.54 2.26 -0.12 5.43 1.43 -1.26 -4.69 118.68 123.26 1ooh s LEU 23 Ca 0.02 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 1ooh s LEU 23 Cb -0.19 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 1ooh s LEU 23 CO 0.06 -0.07 0.33 -0.54 0.23 0.00 0.00 176.35 176.37 1ooh s LYS 24 N -1.64 4.16 0.26 1.70 1.02 -1.26 -4.99 119.74 118.99 1ooh s LYS 24 Ca -0.02 0.20 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 1ooh s LYS 24 Cb -0.10 -3.38 0.39 0.00 -0.52 0.00 0.00 37.83 34.23 1ooh s LYS 24 CO 0.02 0.34 1.88 1.15 -0.92 0.00 0.00 175.35 177.81 1ooh h THR 25 N 4.48 1.08 -0.31 2.17 2.02 -2.00 -1.02 112.91 119.32 1ooh h THR 25 Ca -0.44 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1ooh h THR 25 Cb 1.18 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1ooh h THR 25 CO 0.72 0.21 0.10 1.05 0.37 0.00 0.00 175.52 177.97 1ooh h GLU 26 N 1.14 0.45 -0.21 6.66 9.09 -1.99 0.29 114.58 130.01 1ooh h GLU 26 Ca 0.42 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.71 1ooh h GLU 26 Cb 0.16 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1ooh h GLU 26 CO -0.17 0.40 -0.12 -0.44 0.05 0.00 0.00 179.01 178.72 1ooh h ASP 27 N 0.44 0.47 -0.78 3.06 3.32 -1.62 -2.27 116.42 119.05 1ooh h ASP 27 Ca 0.11 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1ooh h ASP 27 Cb 0.14 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1ooh h ASP 27 CO -0.01 0.80 0.36 -0.07 -1.72 0.00 0.00 179.24 178.60 1ooh h LEU 28 N 0.15 1.03 -0.58 1.55 3.38 -0.92 -1.50 115.31 118.43 1ooh h LEU 28 Ca 0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ooh h LEU 28 Cb 0.63 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1ooh h LEU 28 CO 0.04 0.88 0.32 0.44 0.09 0.00 0.00 178.44 180.21 1ooh h ASP 29 N 1.11 0.49 -0.32 -0.43 3.32 -0.91 -0.11 116.42 119.56 1ooh h ASP 29 Ca 0.27 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1ooh h ASP 29 Cb 0.13 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1ooh h ASP 29 CO -0.03 0.33 0.09 0.03 -1.72 0.00 0.00 179.24 177.93 1ooh h ARG 30 N 0.62 0.51 -0.38 3.56 3.08 -1.00 -2.69 114.38 118.08 1ooh h ARG 30 Ca 0.25 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1ooh h ARG 30 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ooh h ARG 30 CO -0.15 0.57 0.10 -0.07 -1.07 0.00 0.00 179.97 179.35 1ooh h LEU 31 N 0.36 0.51 -2.00 3.04 3.38 -1.06 0.08 115.31 119.62 1ooh h LEU 31 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ooh h LEU 31 Cb 0.28 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ooh h LEU 31 CO -0.00 0.51 0.01 -0.09 0.09 0.00 0.00 178.44 178.96 1ooh h ARG 32 N 0.55 0.00 -0.61 1.13 9.65 -0.68 0.17 114.38 124.58 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 0.20 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1ooh h ARG 32 CO -0.00 0.00 0.00 1.33 2.80 0.00 0.00 179.97 184.10 1ooh n VAL 33 N -4.54 1.71 -1.06 0.20 0.24 -0.97 -3.22 118.33 110.69 1ooh n VAL 33 Ca -0.03 -1.21 -0.02 0.00 -2.04 0.00 0.00 64.34 61.05 1ooh n VAL 33 Cb 0.10 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 32.64 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 1.04 0.54 3.35 7.63 0.00 0.02 -4.63 105.19 113.15 1ooh n GLY 34 Ca 0.24 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.94 6.45 -0.17 1.61 -1.08 -0.02 -4.85 116.67 115.67 1ooh s ASP 35 Ca 0.00 -2.08 0.16 0.00 -0.52 0.00 0.00 52.55 50.11 1ooh s ASP 35 Cb 0.00 -2.25 0.78 0.00 -1.46 0.00 0.00 42.92 39.99 1ooh s ASP 35 CO 0.00 -0.83 1.69 0.49 0.52 0.00 0.00 175.17 177.04 1ooh n PHE 36 N 5.14 1.79 -1.64 -5.34 3.01 -1.26 -3.69 117.46 115.47 1ooh n PHE 36 Ca 0.02 -0.66 -0.36 0.00 1.01 0.00 0.00 57.45 57.45 1ooh n PHE 36 Cb 0.44 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 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 0.91 7.92 -3.51 4.37 3.02 -1.26 -4.81 115.26 121.90 1ooh n ASN 37 Ca 0.27 -2.92 -0.15 0.00 -0.03 0.00 0.00 54.58 51.76 1ooh n ASN 37 Cb 1.04 -1.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.02 -0.56 0.02 3.10 -0.12 -1.26 -5.13 117.98 114.04 1ooh s PHE 38 Ca 0.61 0.83 -0.30 0.00 -0.05 0.00 0.00 56.93 58.01 1ooh s PHE 38 Cb 0.21 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.99 1ooh s PHE 38 CO -0.09 -0.60 1.53 -2.14 -0.05 0.00 0.00 175.22 173.86 1ooh s PRO 39 N -1.79 4.24 0.27 1.99 0.02 -1.26 -4.99 135.00 133.47 1ooh s PRO 39 Ca -0.06 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 1ooh s PRO 39 Cb -0.00 -3.62 -0.09 0.00 0.02 0.00 0.00 34.50 30.81 1ooh s PRO 39 CO 0.03 -0.67 0.72 -1.25 -0.33 0.00 0.00 177.00 175.51 1ooh s PRO 40 N 2.64 4.12 0.77 5.54 0.04 -1.26 -5.08 135.00 141.77 1ooh s PRO 40 Ca 0.69 0.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 1ooh s PRO 40 Cb -0.35 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.59 1ooh s PRO 40 CO 0.29 0.28 1.11 -1.54 0.04 0.00 0.00 177.00 177.17 1ooh s SER 41 N -1.97 4.77 0.24 6.66 1.04 -1.26 -4.90 113.70 118.27 1ooh s SER 41 Ca 0.48 1.19 -0.07 0.00 0.48 0.00 0.00 55.95 58.03 1ooh s SER 41 Cb -0.13 -1.92 0.23 0.00 0.10 0.00 0.00 66.02 64.30 1ooh s SER 41 CO 0.19 -1.78 1.90 -0.61 0.98 0.00 0.00 173.24 173.92 1ooh h GLN 42 N -0.96 1.25 -0.61 4.02 4.15 -1.98 -1.20 115.11 119.79 1ooh h GLN 42 Ca -0.46 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 58.91 1ooh h GLN 42 Cb 1.27 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 28.64 1ooh h GLN 42 CO 0.61 0.84 0.34 -0.44 -1.93 0.00 0.00 178.83 178.26 1ooh h ASP 43 N 1.28 0.52 -0.72 -0.69 5.19 -1.93 -0.18 116.42 119.88 1ooh h ASP 43 Ca 0.34 0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.70 1ooh h ASP 43 Cb -0.11 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 1ooh h ASP 43 CO -0.07 0.35 0.18 0.25 -3.12 0.00 0.00 179.24 176.83 1ooh h LEU 44 N 0.65 1.09 -0.36 1.55 5.85 -1.68 0.62 115.31 123.03 1ooh h LEU 44 Ca 0.26 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ooh h LEU 44 Cb 0.12 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1ooh h LEU 44 CO -0.15 1.04 0.15 0.24 -0.34 0.00 0.00 178.44 179.38 1ooh h MET 45 N 1.09 0.54 0.00 1.25 2.86 -0.83 -2.31 114.93 117.53 1ooh h MET 45 Ca 0.23 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1ooh h MET 45 Cb 0.37 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1ooh h MET 45 CO 0.00 0.52 -0.31 0.00 1.06 0.00 0.00 176.91 178.18 1ooh h TYR 47 N 0.00 0.96 -0.24 0.00 3.20 -0.59 -0.52 116.97 119.77 1ooh h TYR 47 Ca -0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1ooh h TYR 47 Cb 0.57 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1ooh h TYR 47 CO 0.00 0.60 -0.13 1.79 -1.64 0.00 0.00 178.16 178.77 1ooh h THR 48 N 1.03 1.22 -0.33 1.81 1.35 -0.78 -1.36 112.91 115.85 1ooh h THR 48 Ca 0.28 -0.97 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 1ooh h THR 48 Cb -0.10 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1ooh h THR 48 CO -0.07 0.31 0.06 0.50 -0.25 0.00 0.00 175.52 176.07 1ooh h LYS 49 N 0.38 0.54 -0.55 4.72 3.64 -0.99 -1.49 116.57 122.82 1ooh h LYS 49 Ca 0.07 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1ooh h LYS 49 Cb 0.47 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1ooh h LYS 49 CO 0.03 0.63 0.26 0.00 -2.27 0.00 0.00 179.45 178.09 1ooh h VAL 51 N 0.49 1.20 -0.05 0.00 2.07 -1.14 -2.04 116.25 116.78 1ooh h VAL 51 Ca 0.25 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1ooh h VAL 51 Cb 0.21 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ooh h VAL 51 CO -0.20 0.22 -0.60 0.28 0.02 0.00 0.00 177.57 177.29 1ooh h SER 52 N 0.83 0.20 -0.61 0.57 0.02 -0.76 -2.08 113.55 111.71 1ooh h SER 52 Ca 0.21 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1ooh h SER 52 Cb 0.07 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1ooh h SER 52 CO -0.03 0.75 0.18 -0.07 -1.14 0.00 0.00 176.83 176.52 1ooh h LEU 53 N 0.13 0.90 -0.95 5.07 3.38 -0.66 -0.89 115.31 122.30 1ooh h LEU 53 Ca -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1ooh h LEU 53 Cb 1.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1ooh h LEU 53 CO 0.09 0.88 0.49 -0.03 0.09 0.00 0.00 178.44 179.96 1ooh h MET 54 N 0.88 1.22 0.00 1.13 4.05 -1.10 -2.13 114.93 118.99 1ooh h MET 54 Ca 0.20 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1ooh h MET 54 Cb 0.31 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1ooh h MET 54 CO -0.00 0.89 0.00 0.00 0.23 0.00 0.00 176.91 178.03 1ooh h ALA 55 N 1.30 1.00 -0.30 0.39 0.00 -0.95 -3.47 119.26 117.24 1ooh h ALA 55 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1ooh h ALA 55 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ooh h ALA 55 CO -0.05 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.53 1ooh n GLY 56 N 0.17 0.53 0.01 0.00 0.00 -0.38 -4.94 105.19 100.58 1ooh n GLY 56 Ca 0.01 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.23 0.03 -4.18 2.61 -2.24 -0.95 -4.68 114.28 101.64 1ooh n THR 57 Ca -0.04 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1ooh n THR 57 Cb 0.25 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 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 -3.06 0.65 0.53 2.28 -7.23 -1.25 -1.27 120.40 111.06 1ooh s VAL 58 Ca 0.07 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1ooh s VAL 58 Cb 0.16 -1.78 0.10 0.00 0.56 0.00 0.00 36.38 35.42 1ooh s VAL 58 CO 0.81 -0.78 0.73 -0.46 -0.31 0.00 0.00 175.10 175.08 1ooh n ASN 59 N -0.08 1.56 0.12 4.85 0.23 -0.95 -4.62 115.26 116.37 1ooh n ASN 59 Ca -0.11 -2.18 0.12 0.00 -0.53 0.00 0.00 54.58 51.87 1ooh n ASN 59 Cb 0.61 -0.42 0.47 0.00 -2.08 0.00 0.00 39.78 38.37 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 -2.23 0.18 -0.01 -3.83 5.02 -1.26 -0.63 118.16 115.39 1ooh n LYS 60 Ca 0.14 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1ooh n LYS 60 Cb 0.50 -1.84 0.65 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.18 1.36 -1.05 1.97 4.76 -1.26 -4.88 118.16 116.88 1ooh n LYS 61 Ca 0.02 -0.53 -0.02 0.00 -2.87 0.00 0.00 58.31 54.92 1ooh n LYS 61 Cb 0.24 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 1ooh n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ooh n GLY 62 N 1.06 0.52 3.69 0.72 0.00 0.19 -4.14 105.19 107.23 1ooh n GLY 62 Ca 0.20 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.21 4.40 0.04 1.61 2.02 -1.26 -4.15 118.70 120.15 1ooh s GLU 63 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 1ooh s GLU 63 Cb 0.00 -3.55 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1ooh s GLU 63 CO 0.00 -0.36 0.99 0.12 0.02 0.00 0.00 175.26 176.03 1ooh s PHE 64 N 2.07 3.68 -0.57 1.61 5.36 -1.26 -2.25 117.98 126.62 1ooh s PHE 64 Ca 0.51 1.70 -0.07 0.00 -0.96 0.00 0.00 56.93 58.10 1ooh s PHE 64 Cb -0.20 -3.13 0.15 0.00 -0.34 0.00 0.00 43.02 39.50 1ooh s PHE 64 CO 0.19 -0.05 0.43 1.21 -1.46 0.00 0.00 175.22 175.54 1ooh s ASN 65 N 0.73 5.67 0.08 6.13 3.84 -0.39 -4.99 114.94 126.00 1ooh s ASN 65 Ca 0.51 -2.37 -0.24 0.00 0.21 0.00 0.00 52.86 50.98 1ooh s ASN 65 Cb -0.22 -1.97 -0.16 0.00 -0.55 0.00 0.00 41.25 38.35 1ooh s ASN 65 CO 0.29 -0.55 1.69 0.00 -2.79 0.00 0.00 177.10 175.73 1ooh h ALA 66 N 7.82 -0.02 -0.74 1.71 0.00 -1.90 0.20 119.26 126.34 1ooh h ALA 66 Ca -0.09 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ooh h ALA 66 Cb 1.02 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1ooh h ALA 66 CO 0.78 -0.49 0.42 -1.35 0.00 0.00 0.00 179.25 178.61 1ooh h PRO 67 N -0.07 0.73 -0.37 0.00 0.11 -1.99 0.61 132.00 131.01 1ooh h PRO 67 Ca -0.00 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 1ooh h PRO 67 Cb 0.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1ooh h PRO 67 CO 0.00 0.48 -0.34 -0.22 -0.21 0.00 0.00 178.00 177.72 1ooh h LYS 68 N 0.75 0.85 -0.68 1.05 3.64 -1.85 -1.93 116.57 118.40 1ooh h LYS 68 Ca 0.34 -0.42 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ooh h LYS 68 Cb 0.24 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1ooh h LYS 68 CO -0.20 1.06 0.44 0.00 -2.27 0.00 0.00 179.45 178.48 1ooh h ALA 69 N 0.90 0.88 -0.64 5.00 0.00 -0.09 0.39 119.26 125.69 1ooh h ALA 69 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ooh h ALA 69 Cb 0.90 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ooh h ALA 69 CO 0.08 0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.73 1ooh h LEU 70 N 0.89 0.90 -0.93 0.00 3.38 -0.65 -1.40 115.31 117.50 1ooh h LEU 70 Ca 0.26 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1ooh h LEU 70 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ooh h LEU 70 CO -0.07 0.83 -0.47 0.00 0.09 0.00 0.00 178.44 178.82 1ooh h ALA 71 N 1.29 1.04 0.00 1.53 0.00 -0.75 -3.08 119.26 119.29 1ooh h ALA 71 Ca 0.21 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ooh h ALA 71 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ooh h ALA 71 CO -0.01 0.59 -0.32 1.04 0.00 0.00 0.00 179.25 180.55 1ooh n GLN 72 N -3.72 0.20 -0.25 0.00 1.13 0.07 -4.44 117.38 110.36 1ooh n GLN 72 Ca -0.01 0.10 0.06 0.00 -1.94 0.00 0.00 57.00 55.21 1ooh n GLN 72 Cb 0.54 -1.67 0.18 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.14 -2.91 1.08 3.38 -1.19 0.18 115.31 115.70 1ooh h LEU 73 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ooh h LEU 73 Cb 0.67 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ooh h LEU 73 CO 0.00 -0.11 0.01 -0.65 0.09 0.00 0.00 178.44 177.78 1ooh h PRO 74 N 0.19 0.00 -0.08 1.13 0.11 -1.80 0.45 132.00 131.99 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 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1ooh h PRO 74 CO -0.59 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.92 1ooh n HIS 75 N -3.14 0.08 0.00 0.65 8.25 0.61 -4.09 115.22 117.57 1ooh n HIS 75 Ca -0.03 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1ooh n HIS 75 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 0.68 1.79 -4.18 2.41 4.77 -0.01 -5.05 117.00 117.42 1ooh n LEU 76 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1ooh n LEU 76 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1ooh n LEU 76 CO 0.15 0.30 -0.41 0.68 -1.33 0.00 0.00 177.39 176.78 1ooh s VAL 77 N -1.90 0.89 0.67 4.08 -7.23 -0.28 -4.99 120.40 111.63 1ooh s VAL 77 Ca 0.00 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 1ooh s VAL 77 Cb 0.00 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1ooh s VAL 77 CO 0.00 -0.63 1.05 -2.16 -0.31 0.00 0.00 175.10 173.05 1ooh s PRO 78 N -3.03 3.18 0.39 4.82 0.04 -1.26 -4.56 135.00 134.58 1ooh s PRO 78 Ca 0.07 0.87 0.19 0.00 0.04 0.00 0.00 61.00 62.17 1ooh s PRO 78 Cb -0.01 -2.02 1.12 0.00 0.04 0.00 0.00 34.50 33.63 1ooh s PRO 78 CO -0.01 -0.90 1.73 -1.35 0.04 0.00 0.00 177.00 176.51 1ooh h PRO 79 N -0.57 0.36 -0.09 0.56 0.11 -1.96 -0.04 132.00 130.37 1ooh h PRO 79 Ca -0.44 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1ooh h PRO 79 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ooh h PRO 79 CO 0.59 0.24 0.12 0.93 -0.21 0.00 0.00 178.00 179.66 1ooh h GLU 80 N 0.37 0.00 -0.14 1.05 3.07 -1.93 -2.35 114.58 114.65 1ooh h GLU 80 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 1ooh h GLU 80 Cb 1.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1ooh h GLU 80 CO -0.37 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.91 1ooh n MET 81 N -3.73 1.46 -0.00 2.33 2.81 -0.04 -4.72 117.12 115.22 1ooh n MET 81 Ca -0.01 -1.51 -0.12 0.00 -1.81 0.00 0.00 57.70 54.26 1ooh n MET 81 Cb 0.22 -1.23 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 1ooh n MET 81 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1ooh h MET 82 N 2.10 0.10 -0.49 0.03 -1.53 -1.29 -1.66 114.93 112.19 1ooh h MET 82 Ca 0.00 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 1ooh h MET 82 Cb 0.57 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1ooh h MET 82 CO 0.00 0.19 0.02 1.49 0.14 0.00 0.00 176.91 178.74 1ooh h GLU 83 N -0.02 0.86 -0.75 0.39 4.57 -1.85 0.18 114.58 117.96 1ooh h GLU 83 Ca 0.02 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1ooh h GLU 83 Cb 0.12 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1ooh h GLU 83 CO -0.00 0.89 0.46 1.98 -1.18 0.00 0.00 179.01 181.15 1ooh h MET 84 N 0.72 0.84 -0.34 1.92 4.05 -1.87 -0.36 114.93 119.89 1ooh h MET 84 Ca 0.14 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.37 1ooh h MET 84 Cb 0.49 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1ooh h MET 84 CO 0.02 0.56 -0.35 0.77 0.23 0.00 0.00 176.91 178.13 1ooh h SER 85 N 0.86 0.89 -0.67 1.39 0.02 -0.83 -1.44 113.55 113.78 1ooh h SER 85 Ca 0.31 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1ooh h SER 85 Cb 0.10 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1ooh h SER 85 CO -0.14 1.19 0.41 0.03 -1.14 0.00 0.00 176.83 177.18 1ooh h ARG 86 N 0.62 0.90 -0.79 3.45 3.08 -0.34 0.76 114.38 122.06 1ooh h ARG 86 Ca 0.05 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ooh h ARG 86 Cb 0.94 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 1ooh h ARG 86 CO 0.09 0.63 0.45 -0.22 -1.07 0.00 0.00 179.97 179.84 1ooh h LYS 87 N 0.91 1.10 -0.16 0.04 3.64 -0.92 -2.20 116.57 118.97 1ooh h LYS 87 Ca 0.24 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 1ooh h LYS 87 Cb -0.05 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1ooh h LYS 87 CO -0.05 0.80 -0.59 0.77 -2.27 0.00 0.00 179.45 178.12 1ooh h SER 88 N 1.10 0.60 -0.41 4.20 0.02 -0.84 -1.65 113.55 116.57 1ooh h SER 88 Ca 0.28 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1ooh h SER 88 Cb 0.02 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1ooh h SER 88 CO -0.05 1.05 0.18 0.58 -1.14 0.00 0.00 176.83 177.45 1ooh h VAL 89 N 0.40 0.93 -0.59 2.27 2.07 -0.63 -0.24 116.25 120.47 1ooh h VAL 89 Ca -0.00 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1ooh h VAL 89 Cb 1.13 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1ooh h VAL 89 CO 0.11 0.07 -0.04 -0.33 0.02 0.00 0.00 177.57 177.40 1ooh h GLU 90 N 0.37 1.06 0.00 1.57 4.39 -1.27 -0.97 114.58 119.73 1ooh h GLU 90 Ca 0.18 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1ooh h GLU 90 Cb 0.12 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ooh h GLU 90 CO -0.15 1.06 -0.42 0.00 -1.16 0.00 0.00 179.01 178.34 1ooh h ALA 91 N 0.97 1.06 -0.22 3.43 0.00 -0.97 -3.29 119.26 120.24 1ooh h ALA 91 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ooh h ALA 91 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ooh h ALA 91 CO 0.04 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1ooh h ARG 93 N 1.62 0.00 -0.19 0.00 0.11 -1.24 -2.80 114.38 111.87 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 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1ooh h ARG 93 CO 0.00 0.09 0.00 -0.25 0.10 0.00 0.00 179.97 179.91 1ooh n ASP 94 N -3.55 2.67 -0.31 0.08 8.00 -1.26 -4.57 116.55 117.60 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 0.22 -0.12 0.21 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.97 0.83 -0.06 -3.53 2.02 -1.82 -1.60 112.91 111.71 1ooh h THR 95 Ca 0.00 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1ooh h THR 95 Cb 0.71 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ooh h THR 95 CO 0.00 0.14 0.08 1.12 0.37 0.00 0.00 175.52 177.22 1ooh h HIS 96 N 0.76 0.00 0.00 3.16 2.07 -1.80 -2.08 115.15 117.26 1ooh h HIS 96 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 1ooh h HIS 96 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1ooh h HIS 96 CO -0.06 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.67 1ooh h LYS 97 N 0.00 0.00 -0.01 5.12 1.57 -1.62 -2.73 116.57 118.90 1ooh h LYS 97 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ooh h LYS 97 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 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 -2.47 1.10 -4.12 3.15 6.02 -0.78 -4.89 117.38 115.39 1ooh n GLN 98 Ca 0.01 -0.54 -0.15 0.00 -0.01 0.00 0.00 57.00 56.31 1ooh n GLN 98 Cb 0.21 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.27 0.93 -0.20 1.08 0.40 -1.03 -5.07 117.98 111.82 1ooh s PHE 99 Ca 0.33 -0.50 0.13 0.00 -0.60 0.00 0.00 56.93 56.29 1ooh s PHE 99 Cb 0.20 -0.54 -0.21 0.00 0.51 0.00 0.00 43.02 42.98 1ooh s PHE 99 CO 0.43 -0.02 0.00 1.63 0.70 0.00 0.00 175.22 177.96 1ooh n LYS 100 N 1.29 0.86 -3.05 0.44 5.02 -1.26 -4.86 118.16 116.59 1ooh n LYS 100 Ca -0.21 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.71 1ooh n LYS 100 Cb 0.55 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.46 4.45 0.17 1.97 -6.30 -1.26 -4.96 118.70 110.31 1ooh s GLU 101 Ca -0.14 0.99 -0.14 0.00 -2.50 0.00 0.00 54.97 53.17 1ooh s GLU 101 Cb 0.06 -3.33 0.08 0.00 0.00 0.00 0.00 34.13 30.95 1ooh s GLU 101 CO 0.72 0.39 1.82 0.66 0.02 0.00 0.00 175.26 178.87 1ooh h SER 102 N 5.28 0.52 -0.50 -1.70 4.64 -1.90 -0.16 113.55 119.74 1ooh h SER 102 Ca -0.45 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1ooh h SER 102 Cb 1.21 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1ooh h SER 102 CO 0.69 0.37 0.04 0.00 -0.87 0.00 0.00 176.83 177.06 1ooh h GLU 104 N 0.72 1.11 -0.53 0.00 4.57 -1.80 -0.38 114.58 118.27 1ooh h GLU 104 Ca 0.15 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1ooh h GLU 104 Cb 0.45 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 1ooh h GLU 104 CO 0.02 0.85 0.27 0.00 -1.18 0.00 0.00 179.01 178.96 1ooh h ARG 105 N 1.09 0.51 -0.12 1.92 3.08 -0.74 -0.35 114.38 119.77 1ooh h ARG 105 Ca 0.27 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1ooh h ARG 105 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ooh h ARG 105 CO -0.04 0.34 -0.15 0.28 -1.07 0.00 0.00 179.97 179.33 1ooh h VAL 106 N 0.53 1.37 -0.35 2.04 2.07 -1.16 -2.57 116.25 118.17 1ooh h VAL 106 Ca 0.23 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1ooh h VAL 106 Cb 0.14 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1ooh h VAL 106 CO -0.16 0.39 0.19 0.22 0.02 0.00 0.00 177.57 178.24 1ooh h TYR 107 N -0.10 0.36 -0.30 1.57 3.20 -0.88 0.37 116.97 121.19 1ooh h TYR 107 Ca 0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1ooh h TYR 107 Cb 0.70 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1ooh h TYR 107 CO 0.09 0.21 0.02 1.96 -1.64 0.00 0.00 178.16 178.80 1ooh h GLN 108 N 0.40 0.45 -0.27 1.82 1.08 -1.12 0.60 115.11 118.08 1ooh h GLN 108 Ca 0.14 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1ooh h GLN 108 Cb 0.02 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1ooh h GLN 108 CO -0.08 0.47 -0.05 1.15 -0.95 0.00 0.00 178.83 179.37 1ooh h THR 109 N 0.44 1.28 -0.83 -0.54 2.02 -0.92 -0.88 112.91 113.48 1ooh h THR 109 Ca 0.10 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1ooh h THR 109 Cb 0.26 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1ooh h THR 109 CO 0.01 0.33 0.43 0.00 0.37 0.00 0.00 175.52 176.66 1ooh h ALA 110 N 0.78 1.07 -0.58 6.16 0.00 -0.47 -0.04 119.26 126.18 1ooh h ALA 110 Ca 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ooh h ALA 110 Cb 0.52 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ooh h ALA 110 CO 0.02 0.60 0.35 -0.22 0.00 0.00 0.00 179.25 180.01 1ooh h LYS 111 N 1.17 0.79 -0.70 0.00 3.64 -0.82 -0.73 116.57 119.91 1ooh h LYS 111 Ca 0.29 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1ooh h LYS 111 Cb 0.07 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1ooh h LYS 111 CO -0.04 0.56 0.46 0.00 -2.27 0.00 0.00 179.45 178.16 1ooh h PHE 113 N 0.91 0.93 -0.18 0.00 0.04 -0.39 0.51 116.94 118.77 1ooh h PHE 113 Ca 0.27 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.98 1ooh h PHE 113 Cb -0.05 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 1ooh h PHE 113 CO -0.03 0.54 -0.25 0.66 -0.60 0.00 0.00 178.31 178.63 1ooh h SER 114 N 0.97 0.33 0.76 2.17 4.64 -0.32 -0.93 113.55 121.18 1ooh h SER 114 Ca 0.30 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.27 1ooh h SER 114 Cb -0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1ooh h SER 114 CO -0.10 0.59 -1.18 -0.33 -0.87 0.00 0.00 176.83 174.93 1ooh h GLU 115 N 0.30 0.15 0.00 4.77 5.08 -0.72 -3.29 114.58 120.87 1ooh h GLU 115 Ca 0.05 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ooh h GLU 115 Cb 0.61 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1ooh h GLU 115 CO 0.04 1.10 -0.40 -0.91 -1.00 0.00 0.00 179.01 177.84 1ooh h ASN 116 N 0.04 0.00 -1.90 1.42 2.35 -0.74 -3.46 115.58 113.29 1ooh h ASN 116 Ca -0.10 -0.05 -0.65 0.00 -0.55 0.00 0.00 56.30 54.96 1ooh h ASN 116 Cb 1.90 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.29 1ooh h ASN 116 CO 0.17 0.02 0.97 0.00 -1.65 0.00 0.00 177.43 176.94 1ooh n ALA 117 N -2.00 0.52 0.22 -0.83 0.00 -0.37 -4.83 120.51 113.23 1ooh n ALA 117 Ca 0.03 0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.87 1ooh n ALA 117 Cb 0.50 -2.38 0.22 0.00 0.00 0.00 0.00 19.45 17.78 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 5.69 3.11 -0.94 0.00 3.85 -1.26 -4.87 116.55 122.14 1ooh n ASP 118 Ca 0.23 -2.28 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 1ooh n ASP 118 Cb 0.24 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 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 0.78 2.92 3.75 6.12 0.00 -1.26 -5.13 105.19 112.37 1ooh n GLY 119 Ca 0.16 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.82 4.28 -0.07 1.61 -0.21 -1.26 -5.01 119.66 117.19 1ooh s GLN 120 Ca 0.00 2.27 0.04 0.00 0.02 0.00 0.00 55.36 57.69 1ooh s GLN 120 Cb 0.00 -3.11 -0.02 0.00 1.00 0.00 0.00 33.01 30.88 1ooh s GLN 120 CO 0.00 -0.38 -0.18 0.12 -2.12 0.00 0.00 175.29 172.73 1ooh s PHE 121 N -0.12 2.63 -0.06 0.91 2.19 -1.26 -5.10 117.98 117.17 1ooh s PHE 121 Ca 0.58 -0.43 0.02 0.00 0.33 0.00 0.00 56.93 57.43 1ooh s PHE 121 Cb -0.41 -1.66 0.01 0.00 -1.31 0.00 0.00 43.02 39.65 1ooh s PHE 121 CO 0.44 -0.02 -0.12 -1.64 1.83 0.00 0.00 175.22 175.71 1ooh s MET 122 N -0.34 1.65 -0.08 10.12 -1.94 -1.26 -2.15 119.30 125.30 1ooh s MET 122 Ca 0.03 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1ooh s MET 122 Cb -0.13 -1.37 -0.03 0.00 2.01 0.00 0.00 34.83 35.31 1ooh s MET 122 CO 0.02 0.02 -0.01 -0.46 -0.01 0.00 0.00 175.02 174.58 1ooh s TRP 123 N 0.68 3.11 -1.47 -0.03 -0.11 -1.03 -4.94 118.94 115.14 1ooh s TRP 123 Ca -0.14 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.33 1ooh s TRP 123 Cb -0.16 -1.77 0.00 0.00 -1.50 0.00 0.00 33.47 30.05 1ooh s TRP 123 CO 0.03 0.44 0.37 -2.30 -4.62 0.00 0.00 176.95 170.87