#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ooi s THR 2 N 0.00 5.16 0.60 1.12 -4.23 -1.26 -4.40 115.64 112.63 1ooi s THR 2 Ca 0.00 -0.57 0.33 0.00 -1.18 0.00 0.00 61.69 60.27 1ooi s THR 2 Cb 0.00 -3.84 0.37 0.00 1.34 0.00 0.00 72.50 70.37 1ooi s THR 2 CO 0.00 -0.43 2.27 -0.03 -0.54 0.00 0.00 174.62 175.89 1ooi h MET 3 N 1.08 0.00 -0.11 3.99 4.05 -1.99 -1.19 114.93 120.77 1ooi h MET 3 Ca -0.50 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 58.86 1ooi h MET 3 Cb 1.22 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1ooi h MET 3 CO 0.62 0.00 -0.18 1.49 0.23 0.00 0.00 176.91 179.08 1ooi h GLU 4 N 0.00 0.30 -0.28 0.39 4.22 -2.00 -2.40 114.58 114.81 1ooi h GLU 4 Ca -0.00 -0.19 -0.06 0.00 0.08 0.00 0.00 59.36 59.19 1ooi h GLU 4 Cb 0.01 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ooi h GLU 4 CO 0.00 0.77 -0.09 1.96 -2.18 0.00 0.00 179.01 179.47 1ooi h GLN 5 N -0.13 0.46 -0.32 1.92 4.20 -1.77 -2.67 115.11 116.81 1ooi h GLN 5 Ca 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 1ooi h GLN 5 Cb 0.75 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ooi h GLN 5 CO 0.04 0.56 0.16 0.35 -0.67 0.00 0.00 178.83 179.27 1ooi h PHE 6 N 0.43 0.45 -0.35 2.96 3.57 -1.15 -1.35 116.94 121.50 1ooi h PHE 6 Ca 0.09 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ooi h PHE 6 Cb 0.43 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ooi h PHE 6 CO 0.01 0.38 0.10 1.25 -2.23 0.00 0.00 178.31 177.82 1ooi h LEU 7 N 0.38 0.53 -0.86 0.59 5.85 -1.29 -0.68 115.31 119.82 1ooi h LEU 7 Ca 0.11 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1ooi h LEU 7 Cb 0.10 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1ooi h LEU 7 CO -0.02 0.61 0.56 0.74 -0.34 0.00 0.00 178.44 180.00 1ooi h THR 8 N 0.42 1.16 -0.51 1.05 2.02 -1.43 -1.58 112.91 114.03 1ooi h THR 8 Ca 0.11 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1ooi h THR 8 Cb 0.28 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1ooi h THR 8 CO -0.00 0.20 0.24 0.77 0.37 0.00 0.00 175.52 177.10 1ooi h SER 9 N 1.10 0.68 -0.97 4.18 4.64 -0.71 -0.83 113.55 121.65 1ooi h SER 9 Ca 0.34 -0.14 0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1ooi h SER 9 Cb -0.03 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 61.81 1ooi h SER 9 CO -0.11 0.62 0.61 -0.07 -0.87 0.00 0.00 176.83 177.02 1ooi h LEU 10 N 0.69 0.93 -0.45 5.97 3.38 -0.55 -0.19 115.31 125.10 1ooi h LEU 10 Ca 0.18 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1ooi h LEU 10 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ooi h LEU 10 CO -0.02 0.54 -0.71 0.44 0.09 0.00 0.00 178.44 178.78 1ooi h ASP 11 N 1.03 0.43 -0.08 -0.43 3.32 -0.78 -2.32 116.42 117.60 1ooi h ASP 11 Ca 0.45 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ooi h ASP 11 Cb 0.34 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ooi h ASP 11 CO -0.22 1.00 -0.04 0.24 -1.72 0.00 0.00 179.24 178.50 1ooi h MET 12 N 0.25 0.16 -0.36 3.56 2.86 -0.50 -2.41 114.93 118.50 1ooi h MET 12 Ca -0.03 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ooi h MET 12 Cb 1.27 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.88 1ooi h MET 12 CO 0.12 0.54 0.08 0.82 1.06 0.00 0.00 176.91 179.53 1ooi h ILE 13 N -0.22 0.84 -0.62 -1.22 2.04 -1.07 -2.13 117.51 115.13 1ooi h ILE 13 Ca 0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ooi h ILE 13 Cb 0.49 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1ooi h ILE 13 CO 0.01 0.04 0.36 -0.09 0.00 0.00 0.00 178.15 178.47 1ooi h ARG 14 N 0.21 0.84 -0.19 2.37 2.43 -1.40 -2.24 114.38 116.39 1ooi h ARG 14 Ca 0.17 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1ooi h ARG 14 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1ooi h ARG 14 CO -0.21 0.59 -0.18 0.66 -1.51 0.00 0.00 179.97 179.33 1ooi h SER 15 N 0.85 0.31 0.35 -3.80 4.64 -0.87 0.14 113.55 115.17 1ooi h SER 15 Ca 0.22 -0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1ooi h SER 15 Cb -0.02 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1ooi h SER 15 CO -0.04 0.51 -0.93 1.23 -0.87 0.00 0.00 176.83 176.73 1ooi h GLY 16 N 0.89 0.44 0.71 -0.77 0.00 -1.02 -3.38 103.07 99.94 1ooi h GLY 16 Ca 0.05 -0.77 -0.36 0.00 0.00 0.00 0.00 47.33 46.26 1ooi h GLY 16 CO 0.03 0.68 -1.92 0.00 0.00 0.00 0.00 176.54 175.33 1ooi h ALA 18 N 0.10 0.08 -1.04 0.00 0.00 -0.90 -2.66 119.26 114.83 1ooi h ALA 18 Ca -0.40 0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.02 1ooi h ALA 18 Cb 2.06 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 20.46 1ooi h ALA 18 CO 0.12 -0.62 0.61 -1.35 0.00 0.00 0.00 179.25 178.01 1ooi h PRO 19 N -0.12 0.33 0.00 0.00 0.11 -1.75 -0.02 132.00 130.55 1ooi h PRO 19 Ca 0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ooi h PRO 19 Cb 0.55 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1ooi h PRO 19 CO -0.72 0.22 0.00 0.87 -0.21 0.00 0.00 178.00 178.16 1ooi h LYS 20 N 0.34 0.00 -5.60 1.05 1.57 -1.72 -3.45 116.57 108.75 1ooi h LYS 20 Ca 0.72 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.98 1ooi h LYS 20 Cb 1.68 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.85 1ooi h LYS 20 CO -0.54 0.00 -0.68 -0.06 -0.57 0.00 0.00 179.45 177.60 1ooi s PHE 21 N -3.75 2.04 -0.48 -1.35 0.40 -0.02 -5.09 117.98 109.72 1ooi s PHE 21 Ca -0.00 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.54 1ooi s PHE 21 Cb 0.10 -1.15 0.10 0.00 0.51 0.00 0.00 43.02 42.57 1ooi s PHE 21 CO 0.48 0.35 0.40 0.21 0.70 0.00 0.00 175.22 177.36 1ooi s LYS 22 N -3.70 2.86 0.15 0.44 2.20 -1.26 -4.97 119.74 115.46 1ooi s LYS 22 Ca 0.30 -1.52 0.09 0.00 -0.36 0.00 0.00 55.97 54.48 1ooi s LYS 22 Cb 0.03 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 1ooi s LYS 22 CO 0.13 -1.12 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.28 1ooi s LEU 23 N 1.56 2.39 -0.19 5.43 1.43 -1.26 -4.80 118.68 123.24 1ooi s LEU 23 Ca 0.04 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 1ooi s LEU 23 Cb -0.26 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1ooi s LEU 23 CO 0.04 0.04 0.43 -0.54 0.23 0.00 0.00 176.35 176.54 1ooi s LYS 24 N -2.49 4.19 0.38 1.70 1.02 -1.26 -4.98 119.74 118.30 1ooi s LYS 24 Ca 0.14 0.26 0.10 0.00 0.02 0.00 0.00 55.97 56.49 1ooi s LYS 24 Cb -0.08 -3.53 0.86 0.00 -0.52 0.00 0.00 37.83 34.57 1ooi s LYS 24 CO 0.07 -0.04 1.91 1.15 -0.92 0.00 0.00 175.35 177.52 1ooi h THR 25 N 5.02 0.88 0.00 2.17 2.02 -2.00 0.42 112.91 121.42 1ooi h THR 25 Ca -0.36 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1ooi h THR 25 Cb 1.16 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1ooi h THR 25 CO 0.73 0.11 -0.20 -0.33 0.37 0.00 0.00 175.52 176.20 1ooi h GLU 26 N 0.63 0.00 -0.09 6.66 3.07 -1.99 -1.28 114.58 121.58 1ooi h GLU 26 Ca 0.38 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 1ooi h GLU 26 Cb 0.61 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1ooi h GLU 26 CO -0.15 0.20 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.14 1ooi h ASP 27 N 0.00 0.22 -0.83 1.42 3.32 -0.57 -2.27 116.42 117.71 1ooi h ASP 27 Ca -0.00 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1ooi h ASP 27 Cb 0.52 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1ooi h ASP 27 CO 0.03 0.65 0.54 -0.07 -1.72 0.00 0.00 179.24 178.67 1ooi h LEU 28 N -0.20 0.90 -0.95 1.55 3.38 -1.21 -1.55 115.31 117.23 1ooi h LEU 28 Ca 0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ooi h LEU 28 Cb 0.58 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1ooi h LEU 28 CO 0.02 0.63 0.62 0.44 0.09 0.00 0.00 178.44 180.24 1ooi h ASP 29 N 1.06 1.03 -0.17 -0.43 3.32 -1.18 0.43 116.42 120.48 1ooi h ASP 29 Ca 0.33 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1ooi h ASP 29 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ooi h ASP 29 CO -0.11 0.70 0.03 0.03 -1.72 0.00 0.00 179.24 178.18 1ooi h ARG 30 N 1.20 0.28 -0.79 3.56 3.08 -0.75 -3.08 114.38 117.87 1ooi h ARG 30 Ca 0.38 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.36 1ooi h ARG 30 Cb 0.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1ooi h ARG 30 CO -0.12 0.45 0.52 -0.07 -1.07 0.00 0.00 179.97 179.67 1ooi h LEU 31 N 0.07 0.92 -0.98 3.04 3.38 -0.80 -0.33 115.31 120.59 1ooi h LEU 31 Ca 0.05 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.18 1ooi h LEU 31 Cb 0.30 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 1ooi h LEU 31 CO 0.00 0.67 0.58 -0.09 0.09 0.00 0.00 178.44 179.69 1ooi h ARG 32 N 1.08 0.71 -0.61 1.13 9.65 -0.84 0.26 114.38 125.75 1ooi h ARG 32 Ca 0.29 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1ooi h ARG 32 Cb -0.12 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.30 1ooi h ARG 32 CO -0.06 0.47 0.00 1.33 2.80 0.00 0.00 179.97 184.51 1ooi n VAL 33 N -4.79 1.26 -1.00 0.20 0.24 -0.99 -2.35 118.33 110.90 1ooi n VAL 33 Ca 0.23 -0.87 -0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1ooi n VAL 33 Cb 0.56 0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1ooi n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ooi n GLY 34 N 1.05 0.39 3.39 7.63 0.00 0.90 -4.74 105.19 113.80 1ooi n GLY 34 Ca 0.20 -1.09 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 1ooi n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ooi s ASP 35 N -2.99 6.54 -0.01 1.61 2.15 -0.17 -4.82 116.67 118.97 1ooi s ASP 35 Ca 0.00 -2.05 0.18 0.00 0.43 0.00 0.00 52.55 51.11 1ooi s ASP 35 Cb 0.00 -2.32 0.54 0.00 -0.30 0.00 0.00 42.92 40.85 1ooi s ASP 35 CO 0.00 -0.94 1.45 0.49 -0.17 0.00 0.00 175.17 176.00 1ooi n PHE 36 N 5.73 0.85 -1.99 -5.34 3.01 -1.26 -3.82 117.46 114.65 1ooi n PHE 36 Ca 0.11 -0.41 -0.42 0.00 1.01 0.00 0.00 57.45 57.74 1ooi n PHE 36 Cb 0.47 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1ooi n PHE 36 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ooi n ASN 37 N 1.25 4.69 -3.58 4.37 5.15 -1.26 -4.81 115.26 121.06 1ooi n ASN 37 Ca 0.20 -2.96 -0.11 0.00 -0.60 0.00 0.00 54.58 51.11 1ooi n ASN 37 Cb 0.53 -1.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.16 1ooi n ASN 37 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1ooi s PHE 38 N 1.79 -0.43 -0.03 1.20 -0.12 -1.26 -5.13 117.98 114.00 1ooi s PHE 38 Ca 0.45 0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 57.84 1ooi s PHE 38 Cb 0.12 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.88 1ooi s PHE 38 CO -0.05 -0.35 1.71 -1.25 -0.05 0.00 0.00 175.22 175.23 1ooi s PRO 39 N -0.83 4.18 0.25 1.99 0.04 -1.26 -4.98 135.00 134.39 1ooi s PRO 39 Ca -0.02 2.28 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1ooi s PRO 39 Cb -0.01 -3.99 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 1ooi s PRO 39 CO 0.01 -0.86 0.73 -1.25 0.04 0.00 0.00 177.00 175.67 1ooi s PRO 40 N 4.00 4.18 0.80 0.56 0.04 -1.26 -5.07 135.00 138.25 1ooi s PRO 40 Ca 0.76 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1ooi s PRO 40 Cb -0.36 -2.75 0.07 0.00 0.04 0.00 0.00 34.50 31.51 1ooi s PRO 40 CO 0.32 0.32 1.11 -1.54 0.04 0.00 0.00 177.00 177.25 1ooi s SER 41 N -1.83 4.51 0.18 6.66 1.04 -1.26 -4.88 113.70 118.10 1ooi s SER 41 Ca 0.46 1.22 -0.13 0.00 0.48 0.00 0.00 55.95 57.98 1ooi s SER 41 Cb -0.15 -1.93 0.08 0.00 0.10 0.00 0.00 66.02 64.12 1ooi s SER 41 CO 0.20 -1.95 1.83 -0.61 0.98 0.00 0.00 173.24 173.69 1ooi h GLN 42 N -1.08 0.75 -1.00 4.02 5.75 -1.98 -1.73 115.11 119.85 1ooi h GLN 42 Ca -0.47 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.05 1ooi h GLN 42 Cb 1.28 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 1ooi h GLN 42 CO 0.60 0.52 0.64 -0.44 -2.65 0.00 0.00 178.83 177.51 1ooi h ASP 43 N 0.76 1.01 -0.36 -0.69 5.19 -1.93 -0.50 116.42 119.90 1ooi h ASP 43 Ca 0.20 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.52 1ooi h ASP 43 Cb -0.05 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 1ooi h ASP 43 CO -0.04 0.62 -0.20 0.25 -3.12 0.00 0.00 179.24 176.75 1ooi h LEU 44 N 1.13 0.85 -0.66 1.55 5.85 -1.75 0.46 115.31 122.75 1ooi h LEU 44 Ca 0.44 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ooi h LEU 44 Cb 0.23 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ooi h LEU 44 CO -0.19 1.03 0.20 0.24 -0.34 0.00 0.00 178.44 179.38 1ooi h MET 45 N 0.74 1.03 0.00 1.25 2.86 -0.58 -2.53 114.93 117.70 1ooi h MET 45 Ca 0.10 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 1ooi h MET 45 Cb 0.73 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1ooi h MET 45 CO 0.06 0.91 -0.46 0.00 1.06 0.00 0.00 176.91 178.47 1ooi h TYR 47 N 0.00 0.88 -0.26 0.00 3.20 -0.52 -1.25 116.97 119.01 1ooi h TYR 47 Ca -0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1ooi h TYR 47 Cb 0.83 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1ooi h TYR 47 CO 0.00 0.49 -0.14 1.79 -1.64 0.00 0.00 178.16 178.66 1ooi h THR 48 N 0.91 1.23 -0.33 1.81 1.35 -0.97 -0.34 112.91 116.57 1ooi h THR 48 Ca 0.30 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 65.08 1ooi h THR 48 Cb 0.04 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 1ooi h THR 48 CO -0.12 0.33 -0.03 0.50 -0.25 0.00 0.00 175.52 175.94 1ooi h LYS 49 N 0.42 0.60 -0.30 4.72 3.64 -1.23 -1.20 116.57 123.21 1ooi h LYS 49 Ca 0.08 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1ooi h LYS 49 Cb 0.50 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1ooi h LYS 49 CO 0.03 0.75 0.15 0.00 -2.27 0.00 0.00 179.45 178.11 1ooi h VAL 51 N 0.32 1.20 -0.27 0.00 2.07 -0.99 -1.54 116.25 117.03 1ooi h VAL 51 Ca 0.13 -0.42 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 1ooi h VAL 51 Cb 0.04 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1ooi h VAL 51 CO -0.09 0.22 -0.58 0.28 0.02 0.00 0.00 177.57 177.43 1ooi h SER 52 N 1.23 0.97 -0.22 0.57 0.02 -0.26 -1.44 113.55 114.42 1ooi h SER 52 Ca 0.36 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1ooi h SER 52 Cb -0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1ooi h SER 52 CO -0.10 1.33 0.15 -0.07 -1.14 0.00 0.00 176.83 176.99 1ooi h LEU 53 N 0.65 0.25 -0.59 5.07 3.38 -0.49 0.66 115.31 124.25 1ooi h LEU 53 Ca 0.01 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1ooi h LEU 53 Cb 1.19 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1ooi h LEU 53 CO 0.13 0.18 0.18 -0.03 0.09 0.00 0.00 178.44 178.99 1ooi h MET 54 N 0.30 0.33 0.00 1.13 4.05 -1.21 0.10 114.93 119.62 1ooi h MET 54 Ca 0.08 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1ooi h MET 54 Cb -0.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1ooi h MET 54 CO -0.02 0.22 -0.25 0.00 0.23 0.00 0.00 176.91 177.10 1ooi h ALA 55 N 1.43 1.01 0.00 0.39 0.00 -0.67 -3.47 119.26 117.94 1ooi h ALA 55 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ooi h ALA 55 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ooi h ALA 55 CO -0.34 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.63 1ooi n GLY 56 N 0.19 0.63 0.90 0.00 0.00 0.23 -4.97 105.19 102.16 1ooi n GLY 56 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.54 1ooi n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ooi n THR 57 N -2.62 0.00 -4.25 2.61 -2.24 -0.90 -4.90 114.28 101.99 1ooi n THR 57 Ca 0.00 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1ooi n THR 57 Cb 0.00 1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 1ooi n THR 57 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ooi s VAL 58 N -1.91 0.75 0.56 2.28 -7.23 -1.26 -0.98 120.40 112.60 1ooi s VAL 58 Ca 0.26 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.53 1ooi s VAL 58 Cb 0.19 -2.09 0.07 0.00 0.56 0.00 0.00 36.38 35.11 1ooi s VAL 58 CO 0.29 -0.51 0.69 0.54 -0.31 0.00 0.00 175.10 175.80 1ooi s ASN 59 N -3.18 5.02 0.33 4.85 2.20 -0.74 -4.68 114.94 118.74 1ooi s ASN 59 Ca 0.23 -0.92 0.25 0.00 -0.94 0.00 0.00 52.86 51.48 1ooi s ASN 59 Cb 0.06 0.27 1.14 0.00 -2.00 0.00 0.00 41.25 40.72 1ooi s ASN 59 CO 0.04 -1.25 1.77 0.11 -2.94 0.00 0.00 177.10 174.82 1ooi h LYS 60 N 0.34 0.00 -0.04 3.55 1.57 -2.00 -0.13 116.57 119.86 1ooi h LYS 60 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1ooi h LYS 60 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1ooi h LYS 60 CO 0.45 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1ooi n LYS 61 N -2.40 1.42 -0.80 3.15 5.02 -1.26 -4.90 118.16 118.39 1ooi n LYS 61 Ca 0.01 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 1ooi n LYS 61 Cb 0.19 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ooi n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ooi n GLY 62 N 1.06 0.64 3.70 0.72 0.00 -0.06 -4.21 105.19 107.05 1ooi n GLY 62 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ooi n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ooi s GLU 63 N -0.20 4.50 0.16 1.61 2.02 -1.26 -3.98 118.70 121.56 1ooi s GLU 63 Ca 0.00 1.34 -0.30 0.00 0.02 0.00 0.00 54.97 56.03 1ooi s GLU 63 Cb 0.00 -3.49 -0.08 0.00 0.10 0.00 0.00 34.13 30.67 1ooi s GLU 63 CO 0.00 -0.12 1.20 0.12 0.02 0.00 0.00 175.26 176.48 1ooi s PHE 64 N 1.31 3.43 -0.93 1.61 5.36 -1.26 -1.79 117.98 125.70 1ooi s PHE 64 Ca 0.49 1.39 -0.11 0.00 -0.96 0.00 0.00 56.93 57.74 1ooi s PHE 64 Cb -0.20 -3.43 0.24 0.00 -0.34 0.00 0.00 43.02 39.29 1ooi s PHE 64 CO 0.24 -1.24 0.88 1.21 -1.46 0.00 0.00 175.22 174.84 1ooi s ASN 65 N 0.33 6.84 0.13 6.13 3.84 -0.16 -4.94 114.94 127.11 1ooi s ASN 65 Ca 0.54 -3.12 -0.20 0.00 0.21 0.00 0.00 52.86 50.29 1ooi s ASN 65 Cb -0.32 -2.17 -0.03 0.00 -0.55 0.00 0.00 41.25 38.18 1ooi s ASN 65 CO 0.35 -0.42 1.71 0.00 -2.79 0.00 0.00 177.10 175.94 1ooi h ALA 66 N 7.19 0.14 -0.40 1.71 0.00 -1.89 -1.26 119.26 124.73 1ooi h ALA 66 Ca 0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ooi h ALA 66 Cb 0.96 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1ooi h ALA 66 CO 0.86 -0.47 0.18 -1.35 0.00 0.00 0.00 179.25 178.47 1ooi h PRO 67 N 0.01 0.37 -0.39 0.00 0.11 -1.99 0.11 132.00 130.23 1ooi h PRO 67 Ca 0.09 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ooi h PRO 67 Cb 0.13 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1ooi h PRO 67 CO -0.19 0.24 0.23 -0.22 -0.21 0.00 0.00 178.00 177.85 1ooi h LYS 68 N 0.38 0.54 -0.47 1.05 3.64 -1.92 -0.04 116.57 119.75 1ooi h LYS 68 Ca 0.18 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ooi h LYS 68 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1ooi h LYS 68 CO -0.14 0.42 0.31 0.00 -2.27 0.00 0.00 179.45 177.76 1ooi h ALA 69 N 1.09 0.60 -0.42 5.00 0.00 -0.89 0.22 119.26 124.86 1ooi h ALA 69 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ooi h ALA 69 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ooi h ALA 69 CO -0.02 0.03 0.03 -0.07 0.00 0.00 0.00 179.25 179.22 1ooi h LEU 70 N 0.63 0.63 -0.11 0.00 3.38 -0.40 -1.32 115.31 118.11 1ooi h LEU 70 Ca 0.17 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1ooi h LEU 70 Cb -0.06 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ooi h LEU 70 CO -0.05 0.68 -0.44 0.00 0.09 0.00 0.00 178.44 178.73 1ooi h ALA 71 N 1.40 0.20 0.00 1.53 0.00 -0.48 -3.26 119.26 118.65 1ooi h ALA 71 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ooi h ALA 71 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ooi h ALA 71 CO 0.01 0.33 0.00 1.04 0.00 0.00 0.00 179.25 180.63 1ooi n GLN 72 N -4.29 0.60 -0.28 0.00 1.13 0.74 -4.43 117.38 110.85 1ooi n GLN 72 Ca -0.08 0.02 0.10 0.00 -1.94 0.00 0.00 57.00 55.10 1ooi n GLN 72 Cb 0.56 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.66 1ooi n GLN 72 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ooi h LEU 73 N 0.00 -0.03 -2.17 1.08 3.38 -1.29 0.65 115.31 116.93 1ooi h LEU 73 Ca 0.00 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1ooi h LEU 73 Cb 0.16 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ooi h LEU 73 CO 0.00 -0.12 0.20 -0.65 0.09 0.00 0.00 178.44 177.96 1ooi h PRO 74 N 0.22 0.00 -0.59 1.13 0.11 -1.83 0.13 132.00 131.16 1ooi h PRO 74 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1ooi h PRO 74 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1ooi h PRO 74 CO -0.62 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.89 1ooi n HIS 75 N -4.01 1.23 -0.02 0.65 8.25 0.20 -4.46 115.22 117.06 1ooi n HIS 75 Ca 0.02 -0.60 -0.04 0.00 -0.26 0.00 0.00 57.72 56.84 1ooi n HIS 75 Cb 0.33 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1ooi n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ooi n LEU 76 N 1.00 2.39 -4.24 2.41 4.77 0.37 -5.08 117.00 118.63 1ooi n LEU 76 Ca 0.23 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 56.05 1ooi n LEU 76 Cb 0.79 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1ooi n LEU 76 CO 0.20 0.47 -0.43 0.68 -1.33 0.00 0.00 177.39 176.98 1ooi s VAL 77 N -2.09 1.23 0.90 4.08 -7.23 -0.62 -5.01 120.40 111.66 1ooi s VAL 77 Ca -0.06 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 1ooi s VAL 77 Cb 0.02 -1.63 0.13 0.00 0.56 0.00 0.00 36.38 35.46 1ooi s VAL 77 CO 0.10 -0.56 1.12 -2.84 -0.31 0.00 0.00 175.10 172.61 1ooi s PRO 78 N -3.09 1.17 0.48 4.82 0.02 -1.26 -4.68 135.00 132.45 1ooi s PRO 78 Ca 0.12 1.34 0.13 0.00 0.02 0.00 0.00 61.00 62.60 1ooi s PRO 78 Cb -0.02 -1.76 1.10 0.00 0.02 0.00 0.00 34.50 33.84 1ooi s PRO 78 CO 0.02 -2.45 2.10 -1.35 -0.33 0.00 0.00 177.00 174.98 1ooi h PRO 79 N -1.73 0.16 0.00 5.54 0.11 -1.94 -0.09 132.00 134.05 1ooi h PRO 79 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ooi h PRO 79 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ooi h PRO 79 CO 0.46 0.14 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 1ooi n GLU 80 N -4.48 0.94 0.00 1.05 0.00 -1.26 -2.76 120.64 114.13 1ooi n GLU 80 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.18 1ooi n GLU 80 Cb 0.11 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.05 1ooi n GLU 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ooi n MET 81 N -1.00 1.81 0.15 3.44 2.81 -0.06 -4.79 117.12 119.48 1ooi n MET 81 Ca 0.23 -0.56 -0.09 0.00 -1.81 0.00 0.00 57.70 55.47 1ooi n MET 81 Cb 0.11 -0.99 -0.05 0.00 -0.71 0.00 0.00 33.22 31.58 1ooi n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1ooi h MET 82 N 0.79 -0.47 -0.52 0.03 2.86 -1.36 0.63 114.93 116.88 1ooi h MET 82 Ca 0.00 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1ooi h MET 82 Cb 0.22 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 1ooi h MET 82 CO 0.00 -0.32 0.16 0.93 1.06 0.00 0.00 176.91 178.75 1ooi h GLU 83 N -0.49 0.32 -0.54 1.72 4.39 -1.87 0.32 114.58 118.43 1ooi h GLU 83 Ca -0.03 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1ooi h GLU 83 Cb 0.42 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1ooi h GLU 83 CO -0.01 0.21 -0.00 1.98 -1.16 0.00 0.00 179.01 180.02 1ooi h MET 84 N 0.33 0.92 -0.53 2.33 4.05 -1.87 -1.99 114.93 118.17 1ooi h MET 84 Ca 0.26 -0.27 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1ooi h MET 84 Cb 0.31 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1ooi h MET 84 CO -0.29 0.92 0.13 0.77 0.23 0.00 0.00 176.91 178.67 1ooi h SER 85 N 0.85 0.80 -0.59 1.39 0.02 0.59 -2.19 113.55 114.42 1ooi h SER 85 Ca 0.16 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1ooi h SER 85 Cb 0.51 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1ooi h SER 85 CO 0.02 0.82 0.36 -0.09 -1.14 0.00 0.00 176.83 176.81 1ooi h ARG 86 N 0.74 0.80 -0.33 3.45 2.43 -0.10 -1.02 114.38 120.35 1ooi h ARG 86 Ca 0.17 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1ooi h ARG 86 Cb 0.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1ooi h ARG 86 CO 0.00 0.57 -0.06 0.87 -1.51 0.00 0.00 179.97 179.84 1ooi h LYS 87 N 0.80 0.62 -0.62 0.20 1.57 -1.28 -0.56 116.57 117.31 1ooi h LYS 87 Ca 0.21 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1ooi h LYS 87 Cb -0.03 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1ooi h LYS 87 CO -0.04 0.78 0.36 0.77 -0.57 0.00 0.00 179.45 180.76 1ooi h SER 88 N 0.41 0.57 -0.98 0.86 0.02 -1.22 0.40 113.55 113.62 1ooi h SER 88 Ca 0.09 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1ooi h SER 88 Cb 0.54 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1ooi h SER 88 CO 0.03 0.39 0.64 0.58 -1.14 0.00 0.00 176.83 177.34 1ooi h VAL 89 N 0.70 1.22 -0.47 2.27 2.07 -1.05 -0.12 116.25 120.87 1ooi h VAL 89 Ca 0.26 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1ooi h VAL 89 Cb 0.07 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 1ooi h VAL 89 CO -0.13 0.24 -0.18 -0.08 0.02 0.00 0.00 177.57 177.44 1ooi h GLU 90 N 1.29 0.93 0.00 1.57 4.57 0.62 -2.14 114.58 121.43 1ooi h GLU 90 Ca 0.37 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ooi h GLU 90 Cb -0.09 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ooi h GLU 90 CO -0.10 1.03 0.00 0.00 -1.18 0.00 0.00 179.01 178.76 1ooi h ALA 91 N 0.97 1.00 -0.14 2.92 0.00 0.09 -3.35 119.26 120.76 1ooi h ALA 91 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ooi h ALA 91 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ooi h ALA 91 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1ooi h ARG 93 N 0.85 0.12 -0.08 0.00 0.11 -1.53 -2.68 114.38 111.17 1ooi h ARG 93 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ooi h ARG 93 Cb 0.58 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.63 1ooi h ARG 93 CO 0.00 0.14 0.00 -0.25 0.10 0.00 0.00 179.97 179.96 1ooi n ASP 94 N -4.46 2.78 -0.31 0.08 8.00 -1.26 -4.60 116.55 116.78 1ooi n ASP 94 Ca -0.02 -1.86 0.10 0.00 0.71 0.00 0.00 54.79 53.72 1ooi n ASP 94 Cb 0.14 -0.04 0.26 0.00 -0.02 0.00 0.00 41.12 41.46 1ooi n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1ooi h THR 95 N 3.96 0.68 0.00 -3.53 2.02 -1.80 -1.43 112.91 112.81 1ooi h THR 95 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ooi h THR 95 Cb 0.85 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1ooi h THR 95 CO 0.00 0.11 0.00 1.12 0.37 0.00 0.00 175.52 177.12 1ooi h HIS 96 N 0.62 0.00 0.00 3.16 2.07 -1.81 -2.76 115.15 116.44 1ooi h HIS 96 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1ooi h HIS 96 Cb 0.79 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.77 1ooi h HIS 96 CO -0.08 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.65 1ooi h LYS 97 N 0.00 0.00 -0.62 5.12 1.57 -1.60 -2.68 116.57 118.36 1ooi h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ooi h LYS 97 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ooi h LYS 97 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1ooi n GLN 98 N -2.43 2.53 -4.09 3.15 6.02 -1.04 -4.91 117.38 116.61 1ooi n GLN 98 Ca 0.01 -2.24 -0.14 0.00 -0.01 0.00 0.00 57.00 54.62 1ooi n GLN 98 Cb 0.21 -1.51 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 1ooi n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ooi s PHE 99 N -1.25 0.81 -0.15 1.08 0.40 -1.01 -5.07 117.98 112.80 1ooi s PHE 99 Ca 0.41 -0.51 0.18 0.00 -0.60 0.00 0.00 56.93 56.41 1ooi s PHE 99 Cb 0.22 -0.47 -0.25 0.00 0.51 0.00 0.00 43.02 43.02 1ooi s PHE 99 CO 0.27 -0.05 0.16 1.63 0.70 0.00 0.00 175.22 177.93 1ooi n LYS 100 N 1.33 0.85 -3.42 0.44 5.02 -1.26 -4.86 118.16 116.26 1ooi n LYS 100 Ca -0.22 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.64 1ooi n LYS 100 Cb 0.55 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.01 1ooi n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ooi s GLU 101 N -2.70 4.16 0.22 1.97 -6.30 -1.26 -4.98 118.70 109.82 1ooi s GLU 101 Ca -0.09 0.39 -0.08 0.00 -2.50 0.00 0.00 54.97 52.69 1ooi s GLU 101 Cb 0.07 -3.35 0.35 0.00 0.00 0.00 0.00 34.13 31.20 1ooi s GLU 101 CO 0.79 0.39 1.72 0.66 0.02 0.00 0.00 175.26 178.83 1ooi h SER 102 N 5.89 0.14 -0.29 -1.70 4.64 -1.91 0.21 113.55 120.52 1ooi h SER 102 Ca -0.45 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1ooi h SER 102 Cb 1.19 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1ooi h SER 102 CO 0.70 0.06 0.06 0.00 -0.87 0.00 0.00 176.83 176.78 1ooi h GLU 104 N 0.31 0.70 -0.54 0.00 4.81 -1.64 -1.16 114.58 117.05 1ooi h GLU 104 Ca 0.09 -0.11 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1ooi h GLU 104 Cb 0.31 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.47 1ooi h GLU 104 CO 0.00 0.59 -0.15 0.00 -0.73 0.00 0.00 179.01 178.73 1ooi h ARG 105 N 0.63 -0.02 -0.14 1.92 3.08 -0.92 0.30 114.38 119.23 1ooi h ARG 105 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1ooi h ARG 105 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ooi h ARG 105 CO -0.02 -0.01 -0.05 0.28 -1.07 0.00 0.00 179.97 179.10 1ooi h VAL 106 N -0.02 1.30 -0.57 2.04 2.07 -1.27 -1.50 116.25 118.30 1ooi h VAL 106 Ca 0.26 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.80 1ooi h VAL 106 Cb 0.41 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 1ooi h VAL 106 CO -0.57 0.30 0.25 0.22 0.02 0.00 0.00 177.57 177.80 1ooi h TYR 107 N -0.04 0.45 -0.58 1.57 3.20 -0.77 0.82 116.97 121.61 1ooi h TYR 107 Ca 0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1ooi h TYR 107 Cb 0.50 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1ooi h TYR 107 CO 0.06 0.17 0.12 1.96 -1.64 0.00 0.00 178.16 178.83 1ooi h GLN 108 N 0.47 0.92 -0.40 1.82 1.08 -0.29 0.33 115.11 119.05 1ooi h GLN 108 Ca 0.27 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1ooi h GLN 108 Cb 0.27 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1ooi h GLN 108 CO -0.24 0.84 0.11 1.15 -0.95 0.00 0.00 178.83 179.75 1ooi h THR 109 N 0.88 1.22 -0.52 -0.54 2.02 -0.41 -1.19 112.91 114.38 1ooi h THR 109 Ca 0.19 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1ooi h THR 109 Cb 0.35 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1ooi h THR 109 CO 0.00 0.26 0.15 0.00 0.37 0.00 0.00 175.52 176.30 1ooi h ALA 110 N 0.96 0.68 -0.50 6.16 0.00 -0.41 -0.69 119.26 125.46 1ooi h ALA 110 Ca 0.13 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ooi h ALA 110 Cb 0.28 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1ooi h ALA 110 CO -0.00 0.35 0.12 -0.22 0.00 0.00 0.00 179.25 179.51 1ooi h LYS 111 N 0.71 0.26 -0.64 0.00 3.64 -0.80 -1.06 116.57 118.69 1ooi h LYS 111 Ca 0.16 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1ooi h LYS 111 Cb 0.30 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1ooi h LYS 111 CO -0.00 0.17 0.40 0.00 -2.27 0.00 0.00 179.45 177.75 1ooi h PHE 113 N 0.79 0.18 -0.72 0.00 0.04 -0.21 -1.79 116.94 115.22 1ooi h PHE 113 Ca 0.26 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 1ooi h PHE 113 Cb 0.01 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 1ooi h PHE 113 CO -0.05 0.02 0.43 0.66 -0.60 0.00 0.00 178.31 178.77 1ooi h SER 114 N 0.25 0.85 1.63 2.17 4.64 -0.02 -2.03 113.55 121.04 1ooi h SER 114 Ca 0.23 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1ooi h SER 114 Cb 0.29 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ooi h SER 114 CO -0.29 0.65 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.97 1ooi h GLU 115 N 0.98 0.00 -0.09 4.77 5.08 -0.73 -3.22 114.58 121.39 1ooi h GLU 115 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1ooi h GLU 115 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1ooi h GLU 115 CO -0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.05 1ooi n ASN 116 N -2.53 2.68 -4.59 1.42 3.02 -0.72 -4.95 115.26 109.59 1ooi n ASN 116 Ca 0.05 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 1ooi n ASN 116 Cb 0.46 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1ooi n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ooi s ALA 117 N -1.51 2.75 -1.39 5.41 0.00 -0.82 -4.68 121.76 121.53 1ooi s ALA 117 Ca 0.24 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 1ooi s ALA 117 Cb 0.16 -4.06 0.06 0.00 0.00 0.00 0.00 23.12 19.29 1ooi s ALA 117 CO 0.24 -2.83 2.03 -3.47 0.00 0.00 0.00 175.76 171.73 1ooi n ASP 118 N 10.76 4.33 0.00 0.00 -0.08 -1.26 -4.81 116.55 125.48 1ooi n ASP 118 Ca 0.23 -2.89 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 1ooi n ASP 118 Cb 0.48 -1.67 0.00 0.00 2.34 0.00 0.00 41.12 42.27 1ooi n ASP 118 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ooi n GLY 119 N 4.37 0.71 3.72 0.27 0.00 -1.26 -4.89 105.19 108.11 1ooi n GLY 119 Ca 0.50 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1ooi n GLY 119 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ooi s GLN 120 N -1.13 4.13 -0.02 1.61 0.74 -1.26 -5.01 119.66 118.72 1ooi s GLN 120 Ca 0.00 2.59 0.04 0.00 0.05 0.00 0.00 55.36 58.04 1ooi s GLN 120 Cb 0.00 -3.16 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 1ooi s GLN 120 CO 0.00 -0.76 -0.13 0.12 -0.55 0.00 0.00 175.29 173.96 1ooi s PHE 121 N 1.44 1.25 0.06 1.67 2.19 -1.26 -5.06 117.98 118.27 1ooi s PHE 121 Ca 0.76 -0.27 0.03 0.00 0.33 0.00 0.00 56.93 57.78 1ooi s PHE 121 Cb -0.49 -0.82 -0.03 0.00 -1.31 0.00 0.00 43.02 40.37 1ooi s PHE 121 CO 0.33 -0.05 -0.09 -1.64 1.83 0.00 0.00 175.22 175.60 1ooi s MET 122 N -0.20 0.65 -0.01 10.12 -1.94 -1.26 -3.53 119.30 123.14 1ooi s MET 122 Ca 0.03 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1ooi s MET 122 Cb -0.07 -0.38 -0.00 0.00 2.01 0.00 0.00 34.83 36.40 1ooi s MET 122 CO -0.00 0.06 -0.05 -0.46 -0.01 0.00 0.00 175.02 174.56 1ooi s TRP 123 N -1.85 0.50 -1.29 -0.03 -0.11 -0.99 -4.94 118.94 110.23 1ooi s TRP 123 Ca -0.04 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.19 1ooi s TRP 123 Cb -0.07 -0.34 0.00 0.00 -1.50 0.00 0.00 33.47 31.56 1ooi s TRP 123 CO -0.00 -0.02 0.32 -2.30 -4.62 0.00 0.00 176.95 170.33