#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oof s THR 2 N 0.00 3.38 0.19 1.12 -4.23 -1.26 -4.21 115.64 110.63 1oof s THR 2 Ca 0.00 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.84 1oof s THR 2 Cb 0.00 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1oof s THR 2 CO 0.00 -0.59 1.79 0.24 -0.54 0.00 0.00 174.62 175.52 1oof h MET 3 N -0.82 0.53 -0.45 3.99 0.00 -1.99 0.36 114.93 116.55 1oof h MET 3 Ca -0.46 -0.03 0.03 0.00 0.00 0.00 0.00 59.70 59.24 1oof h MET 3 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 31.60 32.70 1oof h MET 3 CO 0.62 0.35 0.26 1.49 0.00 0.00 0.00 176.91 179.62 1oof h GLU 4 N 0.54 0.50 -0.72 1.72 4.81 -2.00 -0.49 114.58 118.95 1oof h GLU 4 Ca 0.26 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1oof h GLU 4 Cb 0.18 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1oof h GLU 4 CO -0.19 0.33 0.20 1.96 -0.73 0.00 0.00 179.01 180.58 1oof h GLN 5 N 0.52 1.14 0.18 1.92 4.20 -1.84 -2.67 115.11 118.56 1oof h GLN 5 Ca 0.19 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1oof h GLN 5 Cb 0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1oof h GLN 5 CO -0.10 0.99 -0.09 0.35 -0.67 0.00 0.00 178.83 179.31 1oof h PHE 6 N 1.08 -0.23 -0.64 2.96 3.57 -0.41 -0.04 116.94 123.22 1oof h PHE 6 Ca 0.23 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 1oof h PHE 6 Cb 0.35 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1oof h PHE 6 CO 0.03 -0.14 0.35 -0.07 -2.23 0.00 0.00 178.31 176.24 1oof h LEU 7 N -0.25 0.50 -0.91 0.59 3.38 -1.03 -1.77 115.31 115.83 1oof h LEU 7 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1oof h LEU 7 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1oof h LEU 7 CO 0.04 0.33 -0.14 0.74 0.09 0.00 0.00 178.44 179.50 1oof h THR 8 N 0.64 1.25 -0.23 0.22 2.02 -1.37 -2.85 112.91 112.59 1oof h THR 8 Ca 0.29 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1oof h THR 8 Cb 0.19 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1oof h THR 8 CO -0.18 0.38 0.16 0.77 0.37 0.00 0.00 175.52 177.02 1oof h SER 9 N 0.59 0.18 -0.62 4.18 4.64 -0.12 -2.21 113.55 120.19 1oof h SER 9 Ca 0.10 -0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.49 1oof h SER 9 Cb 0.58 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 1oof h SER 9 CO 0.04 0.13 0.31 -0.07 -0.87 0.00 0.00 176.83 176.37 1oof h LEU 10 N 0.21 0.43 -0.65 5.97 3.38 -1.22 0.22 115.31 123.65 1oof h LEU 10 Ca 0.10 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1oof h LEU 10 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1oof h LEU 10 CO -0.02 0.27 -0.27 0.44 0.09 0.00 0.00 178.44 178.95 1oof h ASP 11 N 0.57 0.79 -0.50 -0.43 3.32 -1.55 -1.99 116.42 116.64 1oof h ASP 11 Ca 0.29 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1oof h ASP 11 Cb 0.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1oof h ASP 11 CO -0.22 1.02 -0.18 0.24 -1.72 0.00 0.00 179.24 178.37 1oof h MET 12 N 0.66 1.00 -0.19 3.56 2.86 -1.14 -1.47 114.93 120.21 1oof h MET 12 Ca 0.08 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1oof h MET 12 Cb 0.79 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1oof h MET 12 CO 0.07 1.09 0.03 0.82 1.06 0.00 0.00 176.91 179.98 1oof h ILE 13 N 0.86 1.22 -0.73 -1.22 2.04 -0.95 -2.87 117.51 115.87 1oof h ILE 13 Ca 0.12 -0.73 0.11 0.00 1.00 0.00 0.00 64.86 65.36 1oof h ILE 13 Cb 0.76 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 1oof h ILE 13 CO 0.06 0.22 0.35 -0.09 0.00 0.00 0.00 178.15 178.69 1oof h ARG 14 N 0.11 0.55 0.00 2.37 2.43 -1.21 -2.01 114.38 116.62 1oof h ARG 14 Ca 0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1oof h ARG 14 Cb 0.31 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1oof h ARG 14 CO 0.00 0.36 -0.01 0.66 -1.51 0.00 0.00 179.97 179.48 1oof h SER 15 N 0.57 0.00 0.79 -3.80 4.64 -1.04 0.12 113.55 114.82 1oof h SER 15 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1oof h SER 15 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1oof h SER 15 CO -0.30 0.01 -0.36 0.61 -0.87 0.00 0.00 176.83 175.92 1oof n GLY 16 N -1.24 -1.39 0.31 -0.77 0.00 -0.76 -4.50 105.19 96.85 1oof n GLY 16 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1oof n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oof h ALA 18 N 0.00 1.27 0.00 0.00 0.00 -1.05 -1.87 119.26 117.60 1oof h ALA 18 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1oof h ALA 18 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1oof h ALA 18 CO 0.00 0.02 0.00 -1.35 0.00 0.00 0.00 179.25 177.92 1oof h PRO 19 N 0.73 0.00 0.00 0.00 0.11 -1.81 -1.87 132.00 129.16 1oof h PRO 19 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1oof h PRO 19 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1oof h PRO 19 CO -0.31 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.11 1oof n LYS 20 N -2.33 0.09 -4.37 1.05 5.02 -0.70 -4.92 118.16 112.00 1oof n LYS 20 Ca -0.01 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.19 1oof n LYS 20 Cb 0.06 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.35 1oof n LYS 20 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1oof s PHE 21 N -3.04 1.71 -0.40 2.13 0.40 -0.70 -5.11 117.98 112.97 1oof s PHE 21 Ca 0.12 -1.06 -0.12 0.00 -0.60 0.00 0.00 56.93 55.28 1oof s PHE 21 Cb 0.16 -1.05 0.04 0.00 0.51 0.00 0.00 43.02 42.67 1oof s PHE 21 CO 0.53 -0.16 0.25 0.21 0.70 0.00 0.00 175.22 176.75 1oof s LYS 22 N -3.95 2.83 0.08 0.44 2.20 -1.26 -5.00 119.74 115.07 1oof s LYS 22 Ca 0.36 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 54.88 1oof s LYS 22 Cb 0.08 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1oof s LYS 22 CO 0.14 -0.78 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.69 1oof s LEU 23 N 1.57 2.28 -0.12 5.43 1.43 -1.26 -4.71 118.68 123.31 1oof s LEU 23 Ca 0.03 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 1oof s LEU 23 Cb -0.20 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1oof s LEU 23 CO 0.07 -0.06 0.34 -0.54 0.23 0.00 0.00 176.35 176.38 1oof s LYS 24 N -1.78 4.16 0.23 1.70 1.02 -1.26 -4.99 119.74 118.82 1oof s LYS 24 Ca -0.01 0.21 -0.06 0.00 0.02 0.00 0.00 55.97 56.12 1oof s LYS 24 Cb -0.10 -3.37 0.33 0.00 -0.52 0.00 0.00 37.83 34.17 1oof s LYS 24 CO 0.03 0.34 1.82 1.15 -0.92 0.00 0.00 175.35 177.76 1oof h THR 25 N 4.47 0.95 -0.76 2.17 2.02 -2.00 -1.08 112.91 118.67 1oof h THR 25 Ca -0.44 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 66.54 1oof h THR 25 Cb 1.18 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 1oof h THR 25 CO 0.72 0.14 0.50 1.05 0.37 0.00 0.00 175.52 178.30 1oof h GLU 26 N 0.78 0.79 -0.25 6.66 9.09 -1.99 0.19 114.58 129.85 1oof h GLU 26 Ca 0.36 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.64 1oof h GLU 26 Cb 0.27 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1oof h GLU 26 CO -0.21 0.52 -0.17 -0.44 0.05 0.00 0.00 179.01 178.76 1oof h ASP 27 N 0.81 0.57 -0.87 3.06 3.32 -1.63 -2.48 116.42 119.21 1oof h ASP 27 Ca 0.33 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1oof h ASP 27 Cb 0.24 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1oof h ASP 27 CO -0.11 0.89 0.43 -0.07 -1.72 0.00 0.00 179.24 178.66 1oof h LEU 28 N 0.26 1.12 -0.87 1.55 3.38 -0.88 -1.89 115.31 117.99 1oof h LEU 28 Ca 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1oof h LEU 28 Cb 0.69 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1oof h LEU 28 CO 0.05 0.93 0.56 0.44 0.09 0.00 0.00 178.44 180.51 1oof h ASP 29 N 1.23 1.01 -0.32 -0.43 3.32 -0.88 -0.62 116.42 119.73 1oof h ASP 29 Ca 0.30 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1oof h ASP 29 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1oof h ASP 29 CO -0.04 0.74 -0.11 0.03 -1.72 0.00 0.00 179.24 178.14 1oof h ARG 30 N 1.18 0.63 -0.54 3.56 3.08 -1.00 -2.82 114.38 118.47 1oof h ARG 30 Ca 0.32 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1oof h ARG 30 Cb -0.11 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1oof h ARG 30 CO -0.07 0.83 0.20 -0.07 -1.07 0.00 0.00 179.97 179.79 1oof h LEU 31 N 0.40 0.71 -1.64 3.04 3.38 -1.15 0.18 115.31 120.24 1oof h LEU 31 Ca 0.08 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1oof h LEU 31 Cb 0.62 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1oof h LEU 31 CO 0.04 0.66 0.34 -0.09 0.09 0.00 0.00 178.44 179.48 1oof h ARG 32 N 0.77 0.43 -0.63 1.13 9.65 -0.87 -0.04 114.38 124.84 1oof h ARG 32 Ca 0.18 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1oof h ARG 32 Cb 0.18 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1oof h ARG 32 CO -0.01 0.29 0.00 1.33 2.80 0.00 0.00 179.97 184.37 1oof n VAL 33 N -4.47 2.13 -1.46 0.20 0.24 -0.99 -3.12 118.33 110.87 1oof n VAL 33 Ca 0.07 -1.28 -0.07 0.00 -2.04 0.00 0.00 64.34 61.02 1oof n VAL 33 Cb 0.25 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.60 1oof n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oof n GLY 34 N 0.96 0.70 3.35 7.63 0.00 -0.05 -4.63 105.19 113.15 1oof n GLY 34 Ca 0.27 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 1oof n GLY 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oof s ASP 35 N -2.86 6.47 -0.12 1.61 2.15 0.02 -4.85 116.67 119.09 1oof s ASP 35 Ca 0.00 -2.08 0.16 0.00 0.43 0.00 0.00 52.55 51.06 1oof s ASP 35 Cb 0.00 -2.26 0.67 0.00 -0.30 0.00 0.00 42.92 41.03 1oof s ASP 35 CO 0.00 -0.84 1.56 0.49 -0.17 0.00 0.00 175.17 176.20 1oof n PHE 36 N 5.22 1.43 -1.46 -5.34 3.01 -1.26 -3.77 117.46 115.28 1oof n PHE 36 Ca 0.03 -0.56 -0.29 0.00 1.01 0.00 0.00 57.45 57.64 1oof n PHE 36 Cb 0.45 -0.26 -0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1oof n PHE 36 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1oof n ASN 37 N 0.95 7.09 -3.55 4.37 4.13 -1.26 -4.81 115.26 122.17 1oof n ASN 37 Ca 0.24 -2.87 -0.14 0.00 1.68 0.00 0.00 54.58 53.49 1oof n ASN 37 Cb 0.86 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.66 1oof n ASN 37 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1oof s PHE 38 N -0.03 -0.47 0.01 3.10 -0.12 -1.26 -5.13 117.98 114.07 1oof s PHE 38 Ca 0.62 0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 57.75 1oof s PHE 38 Cb 0.27 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.98 1oof s PHE 38 CO -0.10 -0.66 1.49 -2.14 -0.05 0.00 0.00 175.22 173.76 1oof s PRO 39 N -2.41 4.25 0.30 1.99 0.02 -1.26 -5.00 135.00 132.89 1oof s PRO 39 Ca -0.05 2.08 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 1oof s PRO 39 Cb -0.01 -3.64 -0.09 0.00 0.02 0.00 0.00 34.50 30.79 1oof s PRO 39 CO -0.01 -0.66 0.73 -1.25 -0.33 0.00 0.00 177.00 175.48 1oof s PRO 40 N 2.70 4.03 0.78 5.54 0.04 -1.26 -5.08 135.00 141.75 1oof s PRO 40 Ca 0.67 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 1oof s PRO 40 Cb -0.33 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 31.76 1oof s PRO 40 CO 0.28 0.20 1.11 -1.54 0.04 0.00 0.00 177.00 177.09 1oof s SER 41 N -2.18 4.73 0.25 6.66 1.04 -1.26 -4.91 113.70 118.02 1oof s SER 41 Ca 0.52 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 58.04 1oof s SER 41 Cb -0.11 -1.86 0.26 0.00 0.10 0.00 0.00 66.02 64.40 1oof s SER 41 CO 0.18 -1.80 1.92 -0.61 0.98 0.00 0.00 173.24 173.91 1oof h GLN 42 N -0.97 1.29 -0.57 4.02 4.15 -1.98 -1.67 115.11 119.38 1oof h GLN 42 Ca -0.47 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 58.90 1oof h GLN 42 Cb 1.28 -0.29 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 1oof h GLN 42 CO 0.62 0.86 0.35 -0.44 -1.93 0.00 0.00 178.83 178.28 1oof h ASP 43 N 1.33 0.56 -0.63 -0.69 5.19 -1.93 0.47 116.42 120.72 1oof h ASP 43 Ca 0.36 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.72 1oof h ASP 43 Cb -0.14 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.22 1oof h ASP 43 CO -0.08 0.39 0.17 0.25 -3.12 0.00 0.00 179.24 176.85 1oof h LEU 44 N 0.68 0.95 -0.38 1.55 5.85 -1.73 0.65 115.31 122.88 1oof h LEU 44 Ca 0.23 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1oof h LEU 44 Cb 0.02 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1oof h LEU 44 CO -0.10 0.93 0.17 0.24 -0.34 0.00 0.00 178.44 179.34 1oof h MET 45 N 0.92 0.56 0.00 1.25 2.86 -0.88 -2.00 114.93 117.64 1oof h MET 45 Ca 0.20 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1oof h MET 45 Cb 0.34 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1oof h MET 45 CO -0.00 0.52 -0.28 0.00 1.06 0.00 0.00 176.91 178.20 1oof h TYR 47 N 0.00 1.01 -0.54 0.00 3.20 -0.43 -0.94 116.97 119.28 1oof h TYR 47 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1oof h TYR 47 Cb 0.52 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1oof h TYR 47 CO 0.00 0.70 0.24 1.79 -1.64 0.00 0.00 178.16 179.25 1oof h THR 48 N 1.03 1.19 -0.35 1.81 1.35 -0.63 -1.53 112.91 115.78 1oof h THR 48 Ca 0.27 -0.55 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1oof h THR 48 Cb 0.00 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 1oof h THR 48 CO -0.05 0.22 0.11 0.50 -0.25 0.00 0.00 175.52 176.06 1oof h LYS 49 N 0.77 0.54 -0.55 4.72 3.64 -1.00 -1.56 116.57 123.12 1oof h LYS 49 Ca 0.19 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1oof h LYS 49 Cb 0.11 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1oof h LYS 49 CO -0.02 0.56 0.31 0.00 -2.27 0.00 0.00 179.45 178.03 1oof h VAL 51 N 0.60 1.21 -0.08 0.00 2.07 -1.18 -2.13 116.25 116.74 1oof h VAL 51 Ca 0.23 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 1oof h VAL 51 Cb 0.09 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1oof h VAL 51 CO -0.13 0.24 -0.58 0.28 0.02 0.00 0.00 177.57 177.40 1oof h SER 52 N 0.93 0.29 -0.66 0.57 0.02 -0.80 -2.22 113.55 111.69 1oof h SER 52 Ca 0.24 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1oof h SER 52 Cb 0.05 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1oof h SER 52 CO -0.04 0.81 0.14 -0.07 -1.14 0.00 0.00 176.83 176.53 1oof h LEU 53 N 0.20 1.04 -1.15 5.07 3.38 -0.68 -1.13 115.31 122.04 1oof h LEU 53 Ca -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1oof h LEU 53 Cb 1.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1oof h LEU 53 CO 0.09 1.01 0.10 -0.03 0.09 0.00 0.00 178.44 179.71 1oof h MET 54 N 1.03 0.70 0.00 1.13 4.05 -1.10 -2.37 114.93 118.36 1oof h MET 54 Ca 0.21 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1oof h MET 54 Cb 0.40 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1oof h MET 54 CO 0.01 0.64 -0.13 0.00 0.23 0.00 0.00 176.91 177.67 1oof h ALA 55 N 1.44 0.96 -0.01 0.39 0.00 -0.89 -3.47 119.26 117.68 1oof h ALA 55 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1oof h ALA 55 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1oof h ALA 55 CO -0.00 0.16 -0.00 0.41 0.00 0.00 0.00 179.25 179.81 1oof n GLY 56 N 0.53 0.44 0.00 0.00 0.00 -0.47 -4.94 105.19 100.74 1oof n GLY 56 Ca 0.02 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1oof n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oof n THR 57 N -2.99 0.00 -4.10 2.61 -2.24 -0.98 -4.72 114.28 101.86 1oof n THR 57 Ca -0.00 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1oof n THR 57 Cb 0.01 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 1oof n THR 57 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1oof s VAL 58 N -3.00 0.47 0.63 2.28 -7.23 -1.25 -1.12 120.40 111.19 1oof s VAL 58 Ca 0.11 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1oof s VAL 58 Cb 0.17 -1.21 0.13 0.00 0.56 0.00 0.00 36.38 36.03 1oof s VAL 58 CO 0.71 -0.74 0.86 -0.46 -0.31 0.00 0.00 175.10 175.16 1oof n ASN 59 N 0.56 1.11 0.17 4.85 0.23 -0.89 -4.65 115.26 116.65 1oof n ASN 59 Ca -0.17 -1.95 0.13 0.00 -0.53 0.00 0.00 54.58 52.07 1oof n ASN 59 Cb 0.59 -0.56 0.56 0.00 -2.08 0.00 0.00 39.78 38.28 1oof n ASN 59 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1oof h LYS 60 N 0.00 0.00 -0.09 -3.83 1.57 -2.00 0.25 116.57 112.47 1oof h LYS 60 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1oof h LYS 60 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1oof h LYS 60 CO 0.30 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.81 1oof n LYS 61 N -2.45 1.56 -1.09 3.15 5.02 -1.26 -4.90 118.16 118.20 1oof n LYS 61 Ca 0.01 -0.84 -0.03 0.00 -2.02 0.00 0.00 58.31 55.44 1oof n LYS 61 Cb 0.23 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1oof n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oof n GLY 62 N 1.09 0.62 3.69 0.72 0.00 0.08 -4.19 105.19 107.20 1oof n GLY 62 Ca 0.17 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1oof n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oof s GLU 63 N -1.68 4.42 0.08 1.61 2.02 -1.26 -4.19 118.70 119.71 1oof s GLU 63 Ca 0.00 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 56.04 1oof s GLU 63 Cb 0.00 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 1oof s GLU 63 CO 0.00 -0.29 0.98 0.12 0.02 0.00 0.00 175.26 176.09 1oof s PHE 64 N 1.92 3.75 -0.64 1.61 5.36 -1.26 -2.10 117.98 126.61 1oof s PHE 64 Ca 0.47 1.75 -0.08 0.00 -0.96 0.00 0.00 56.93 58.11 1oof s PHE 64 Cb -0.18 -3.10 0.17 0.00 -0.34 0.00 0.00 43.02 39.57 1oof s PHE 64 CO 0.18 0.06 0.51 1.21 -1.46 0.00 0.00 175.22 175.72 1oof s ASN 65 N 0.33 5.79 0.09 6.13 3.84 -0.27 -4.99 114.94 125.86 1oof s ASN 65 Ca 0.49 -2.56 -0.27 0.00 0.21 0.00 0.00 52.86 50.73 1oof s ASN 65 Cb -0.23 -2.00 -0.13 0.00 -0.55 0.00 0.00 41.25 38.34 1oof s ASN 65 CO 0.30 -0.51 1.66 0.00 -2.79 0.00 0.00 177.10 175.76 1oof h ALA 66 N 7.62 -0.44 -0.76 1.71 0.00 -1.90 0.44 119.26 125.93 1oof h ALA 66 Ca -0.03 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1oof h ALA 66 Cb 1.01 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1oof h ALA 66 CO 0.76 -0.77 0.39 -1.35 0.00 0.00 0.00 179.25 178.29 1oof h PRO 67 N -0.46 0.63 -0.36 0.00 0.11 -1.99 -1.09 132.00 128.84 1oof h PRO 67 Ca -0.01 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 1oof h PRO 67 Cb 0.41 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1oof h PRO 67 CO -0.02 0.42 -0.28 -0.22 -0.21 0.00 0.00 178.00 177.68 1oof h LYS 68 N 0.65 0.76 -0.59 1.05 3.64 -1.82 -1.97 116.57 118.29 1oof h LYS 68 Ca 0.38 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1oof h LYS 68 Cb 0.40 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1oof h LYS 68 CO -0.28 0.95 0.31 0.00 -2.27 0.00 0.00 179.45 178.16 1oof h ALA 69 N 1.03 0.75 -0.75 5.00 0.00 -0.50 0.02 119.26 124.80 1oof h ALA 69 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1oof h ALA 69 Cb 0.81 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1oof h ALA 69 CO 0.07 0.29 0.47 -0.07 0.00 0.00 0.00 179.25 180.00 1oof h LEU 70 N 0.79 0.90 -1.14 0.00 3.38 -0.99 -0.78 115.31 117.48 1oof h LEU 70 Ca 0.20 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1oof h LEU 70 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1oof h LEU 70 CO -0.03 0.68 -0.40 0.00 0.09 0.00 0.00 178.44 178.78 1oof h ALA 71 N 1.25 1.19 0.00 1.53 0.00 -1.10 -3.17 119.26 118.96 1oof h ALA 71 Ca 0.27 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1oof h ALA 71 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1oof h ALA 71 CO -0.05 0.50 -0.51 1.96 0.00 0.00 0.00 179.25 181.15 1oof h GLN 72 N 0.00 0.00 -0.95 0.00 1.08 -0.03 -3.40 115.11 111.81 1oof h GLN 72 Ca -0.00 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 57.42 1oof h GLN 72 Cb 0.78 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.03 1oof h GLN 72 CO 0.05 0.31 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.08 1oof h LEU 73 N 0.00 -0.65 -2.66 1.46 3.38 -1.15 0.23 115.31 115.92 1oof h LEU 73 Ca -0.02 0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1oof h LEU 73 Cb 1.28 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1oof h LEU 73 CO 0.04 -0.32 0.06 -0.65 0.09 0.00 0.00 178.44 177.66 1oof h PRO 74 N 0.01 0.00 -0.02 1.13 0.11 -1.81 0.51 132.00 131.94 1oof h PRO 74 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1oof h PRO 74 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1oof h PRO 74 CO -0.93 0.00 -0.17 0.72 -0.21 0.00 0.00 178.00 177.41 1oof n HIS 75 N -3.36 0.00 -0.02 0.65 8.25 0.78 -4.28 115.22 117.24 1oof n HIS 75 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1oof n HIS 75 Cb 0.14 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1oof n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1oof n LEU 76 N 0.16 1.67 -4.19 2.41 4.77 -0.02 -5.05 117.00 116.75 1oof n LEU 76 Ca 0.14 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 1oof n LEU 76 Cb 0.43 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1oof n LEU 76 CO 0.21 0.35 -0.41 0.68 -1.33 0.00 0.00 177.39 176.88 1oof s VAL 77 N -2.07 0.97 0.67 4.08 -7.23 -0.12 -5.00 120.40 111.69 1oof s VAL 77 Ca -0.03 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.29 1oof s VAL 77 Cb 0.01 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1oof s VAL 77 CO 0.10 -0.60 1.06 -2.16 -0.31 0.00 0.00 175.10 173.19 1oof s PRO 78 N -3.00 3.05 0.32 4.82 0.04 -1.26 -4.59 135.00 134.38 1oof s PRO 78 Ca 0.08 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.25 1oof s PRO 78 Cb -0.02 -2.00 0.93 0.00 0.04 0.00 0.00 34.50 33.45 1oof s PRO 78 CO -0.00 -1.01 1.71 -1.35 0.04 0.00 0.00 177.00 176.39 1oof h PRO 79 N -0.38 0.50 -0.55 0.56 0.11 -1.96 0.01 132.00 130.28 1oof h PRO 79 Ca -0.45 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1oof h PRO 79 Cb 1.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1oof h PRO 79 CO 0.57 0.33 0.44 0.93 -0.21 0.00 0.00 178.00 180.06 1oof h GLU 80 N 0.51 0.00 -0.02 1.05 3.07 -1.93 -2.28 114.58 114.98 1oof h GLU 80 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 1oof h GLU 80 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1oof h GLU 80 CO -0.51 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 175.77 1oof n MET 81 N -4.15 1.23 -0.01 2.33 2.81 -0.03 -4.69 117.12 114.61 1oof n MET 81 Ca 0.10 -1.46 -0.11 0.00 -1.81 0.00 0.00 57.70 54.43 1oof n MET 81 Cb 0.66 -1.31 -0.05 0.00 -0.71 0.00 0.00 33.22 31.82 1oof n MET 81 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1oof h MET 82 N 3.13 0.14 -0.45 0.03 2.86 -1.25 -1.49 114.93 117.90 1oof h MET 82 Ca 0.00 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1oof h MET 82 Cb 0.67 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1oof h MET 82 CO 0.00 0.09 -0.08 1.49 1.06 0.00 0.00 176.91 179.47 1oof h GLU 83 N 0.14 0.84 -0.73 1.72 4.57 -1.84 0.34 114.58 119.63 1oof h GLU 83 Ca 0.04 -0.31 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1oof h GLU 83 Cb -0.01 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 1oof h GLU 83 CO -0.02 0.94 0.47 1.98 -1.18 0.00 0.00 179.01 181.20 1oof h MET 84 N 0.68 0.96 -0.40 1.92 4.05 -1.86 -0.49 114.93 119.79 1oof h MET 84 Ca 0.12 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 1oof h MET 84 Cb 0.61 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1oof h MET 84 CO 0.04 0.64 -0.00 0.77 0.23 0.00 0.00 176.91 178.59 1oof h SER 85 N 0.99 0.69 -0.72 1.39 0.02 -0.83 -1.33 113.55 113.76 1oof h SER 85 Ca 0.27 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1oof h SER 85 Cb -0.10 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1oof h SER 85 CO -0.06 0.83 0.47 0.03 -1.14 0.00 0.00 176.83 176.97 1oof h ARG 86 N 0.53 0.94 -0.68 3.45 3.08 -0.05 0.12 114.38 121.77 1oof h ARG 86 Ca 0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1oof h ARG 86 Cb 0.48 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1oof h ARG 86 CO 0.02 0.63 0.26 -0.22 -1.07 0.00 0.00 179.97 179.59 1oof h LYS 87 N 0.97 1.03 -0.26 0.04 3.64 -0.89 -2.34 116.57 118.76 1oof h LYS 87 Ca 0.26 -0.20 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1oof h LYS 87 Cb -0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1oof h LYS 87 CO -0.06 0.87 -0.44 0.77 -2.27 0.00 0.00 179.45 178.32 1oof h SER 88 N 0.98 0.68 -0.35 4.20 0.02 -0.84 -1.47 113.55 116.77 1oof h SER 88 Ca 0.23 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1oof h SER 88 Cb 0.23 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1oof h SER 88 CO -0.02 1.03 0.07 0.58 -1.14 0.00 0.00 176.83 177.35 1oof h VAL 89 N 0.52 0.83 -0.60 2.27 2.07 -0.78 -0.56 116.25 119.99 1oof h VAL 89 Ca 0.04 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1oof h VAL 89 Cb 0.97 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1oof h VAL 89 CO 0.09 0.04 0.11 -0.33 0.02 0.00 0.00 177.57 177.49 1oof h GLU 90 N 0.20 0.98 0.00 1.57 4.39 -1.27 -0.30 114.58 120.16 1oof h GLU 90 Ca 0.16 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1oof h GLU 90 Cb 0.18 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1oof h GLU 90 CO -0.21 0.92 -0.16 0.00 -1.16 0.00 0.00 179.01 178.40 1oof h ALA 91 N 1.02 0.98 -0.08 3.43 0.00 -0.95 -3.29 119.26 120.36 1oof h ALA 91 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1oof h ALA 91 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1oof h ALA 91 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1oof h ARG 93 N 0.84 0.00 -0.23 0.00 0.11 -1.13 -2.73 114.38 111.25 1oof h ARG 93 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1oof h ARG 93 Cb 0.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1oof h ARG 93 CO 0.00 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.82 1oof n ASP 94 N -4.05 2.66 -0.36 0.08 8.00 -1.26 -4.57 116.55 117.04 1oof n ASP 94 Ca -0.01 -1.79 0.05 0.00 0.71 0.00 0.00 54.79 53.75 1oof n ASP 94 Cb 0.18 -0.15 0.21 0.00 -0.02 0.00 0.00 41.12 41.34 1oof n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1oof h THR 95 N 2.58 1.01 0.00 -3.53 2.02 -1.81 -1.98 112.91 111.20 1oof h THR 95 Ca 0.00 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1oof h THR 95 Cb 0.68 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1oof h THR 95 CO 0.00 0.20 -0.03 1.12 0.37 0.00 0.00 175.52 177.18 1oof h HIS 96 N 1.08 0.00 0.00 3.16 2.07 -1.80 -2.17 115.15 117.49 1oof h HIS 96 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1oof h HIS 96 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 1oof h HIS 96 CO -0.00 0.03 0.00 1.63 -3.07 0.00 0.00 177.93 176.52 1oof n LYS 97 N -3.40 0.11 0.00 5.12 5.02 -0.74 -2.64 118.16 121.63 1oof n LYS 97 Ca -0.02 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 1oof n LYS 97 Cb 0.14 -1.72 0.44 0.00 -0.02 0.00 0.00 35.03 33.87 1oof n LYS 97 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1oof n GLN 98 N -1.93 0.92 -4.15 1.97 6.02 -0.81 -4.92 117.38 114.47 1oof n GLN 98 Ca 0.02 -0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 56.36 1oof n GLN 98 Cb 0.19 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.85 1oof n GLN 98 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1oof s PHE 99 N -2.43 1.01 -0.16 1.08 0.40 -1.08 -5.07 117.98 111.73 1oof s PHE 99 Ca 0.27 -0.57 0.11 0.00 -0.60 0.00 0.00 56.93 56.14 1oof s PHE 99 Cb 0.20 -0.57 -0.17 0.00 0.51 0.00 0.00 43.02 42.99 1oof s PHE 99 CO 0.49 -0.01 0.00 1.63 0.70 0.00 0.00 175.22 178.04 1oof n LYS 100 N 0.96 1.30 -3.02 0.44 5.02 -1.26 -4.86 118.16 116.74 1oof n LYS 100 Ca -0.19 0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.72 1oof n LYS 100 Cb 0.56 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1oof n LYS 100 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1oof s GLU 101 N -2.37 4.49 0.12 1.97 -6.30 -1.26 -4.96 118.70 110.39 1oof s GLU 101 Ca -0.11 1.06 -0.18 0.00 -2.50 0.00 0.00 54.97 53.24 1oof s GLU 101 Cb 0.05 -3.31 -0.04 0.00 0.00 0.00 0.00 34.13 30.83 1oof s GLU 101 CO 0.58 0.45 1.69 0.66 0.02 0.00 0.00 175.26 178.67 1oof h SER 102 N 4.96 0.38 -0.56 -1.70 4.64 -1.91 -0.66 113.55 118.70 1oof h SER 102 Ca -0.46 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 60.70 1oof h SER 102 Cb 1.21 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1oof h SER 102 CO 0.68 0.40 0.20 0.00 -0.87 0.00 0.00 176.83 177.23 1oof h GLU 104 N 0.77 0.77 -0.42 0.00 4.57 -1.80 -0.35 114.58 118.12 1oof h GLU 104 Ca 0.18 -0.09 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 1oof h GLU 104 Cb 0.24 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 1oof h GLU 104 CO -0.01 0.59 -0.03 0.00 -1.18 0.00 0.00 179.01 178.38 1oof h ARG 105 N 0.75 0.07 -0.15 1.92 3.08 -0.87 -0.39 114.38 118.78 1oof h ARG 105 Ca 0.20 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1oof h ARG 105 Cb 0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1oof h ARG 105 CO -0.03 0.05 -0.09 0.28 -1.07 0.00 0.00 179.97 179.11 1oof h VAL 106 N 0.07 1.32 -0.55 2.04 2.07 -1.18 -2.66 116.25 117.37 1oof h VAL 106 Ca 0.21 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1oof h VAL 106 Cb 0.31 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1oof h VAL 106 CO -0.38 0.34 0.27 0.22 0.02 0.00 0.00 177.57 178.04 1oof h TYR 107 N -0.03 0.48 -0.34 1.57 3.20 -0.86 0.03 116.97 121.03 1oof h TYR 107 Ca 0.03 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1oof h TYR 107 Cb 0.57 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1oof h TYR 107 CO 0.07 0.21 -0.16 1.96 -1.64 0.00 0.00 178.16 178.61 1oof h GLN 108 N 0.51 0.61 -0.28 1.82 1.08 -1.10 0.74 115.11 118.49 1oof h GLN 108 Ca 0.25 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1oof h GLN 108 Cb 0.20 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1oof h GLN 108 CO -0.20 0.74 0.10 1.15 -0.95 0.00 0.00 178.83 179.68 1oof h THR 109 N 0.55 1.19 -0.70 -0.54 2.02 -1.05 -0.43 112.91 113.95 1oof h THR 109 Ca 0.09 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1oof h THR 109 Cb 0.59 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1oof h THR 109 CO 0.04 0.20 0.41 0.00 0.37 0.00 0.00 175.52 176.53 1oof h ALA 110 N 0.93 0.90 -0.58 6.16 0.00 -0.56 -0.65 119.26 125.47 1oof h ALA 110 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1oof h ALA 110 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1oof h ALA 110 CO -0.01 0.39 0.34 -0.22 0.00 0.00 0.00 179.25 179.75 1oof h LYS 111 N 0.96 0.79 -0.68 0.00 3.64 -0.72 -1.34 116.57 119.22 1oof h LYS 111 Ca 0.25 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1oof h LYS 111 Cb -0.00 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1oof h LYS 111 CO -0.04 0.58 0.43 0.00 -2.27 0.00 0.00 179.45 178.15 1oof h PHE 113 N 0.85 0.82 -0.13 0.00 0.04 -0.53 0.17 116.94 118.16 1oof h PHE 113 Ca 0.27 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.97 1oof h PHE 113 Cb -0.01 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1oof h PHE 113 CO -0.04 0.44 -0.33 0.66 -0.60 0.00 0.00 178.31 178.45 1oof h SER 114 N 0.84 0.25 0.68 2.17 4.64 -0.52 -0.25 113.55 121.36 1oof h SER 114 Ca 0.30 -0.09 -0.26 0.00 -0.47 0.00 0.00 61.79 61.26 1oof h SER 114 Cb 0.08 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1oof h SER 114 CO -0.13 0.58 -1.36 -0.33 -0.87 0.00 0.00 176.83 174.71 1oof h GLU 115 N 0.22 0.09 0.00 4.77 5.08 -0.65 -3.30 114.58 120.78 1oof h GLU 115 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1oof h GLU 115 Cb 0.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1oof h GLU 115 CO 0.05 0.92 -0.45 -0.91 -1.00 0.00 0.00 179.01 177.62 1oof h ASN 116 N 0.02 0.00 -2.06 1.42 4.21 -0.56 -3.46 115.58 115.16 1oof h ASN 116 Ca -0.16 -0.05 -0.62 0.00 1.21 0.00 0.00 56.30 56.68 1oof h ASN 116 Cb 1.92 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 39.15 1oof h ASN 116 CO 0.13 0.03 0.96 0.00 -1.29 0.00 0.00 177.43 177.25 1oof n ALA 117 N -2.01 0.87 0.01 -0.83 0.00 -0.12 -4.83 120.51 113.60 1oof n ALA 117 Ca 0.03 0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1oof n ALA 117 Cb 0.50 -2.41 0.25 0.00 0.00 0.00 0.00 19.45 17.78 1oof n ALA 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1oof n ASP 118 N 5.32 3.56 -0.97 0.00 3.85 -1.26 -4.88 116.55 122.18 1oof n ASP 118 Ca 0.21 -2.40 0.00 0.00 -0.71 0.00 0.00 54.79 51.89 1oof n ASP 118 Cb 0.28 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1oof n ASP 118 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oof n GLY 119 N 0.70 2.42 3.74 6.12 0.00 -1.26 -5.13 105.19 111.79 1oof n GLY 119 Ca 0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1oof n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oof s GLN 120 N -1.90 4.25 -0.06 1.61 -0.21 -1.26 -5.01 119.66 117.09 1oof s GLN 120 Ca 0.00 2.33 0.04 0.00 0.02 0.00 0.00 55.36 57.75 1oof s GLN 120 Cb 0.00 -3.12 -0.02 0.00 1.00 0.00 0.00 33.01 30.87 1oof s GLN 120 CO 0.00 -0.48 -0.18 0.12 -2.12 0.00 0.00 175.29 172.63 1oof s PHE 121 N 0.34 2.61 -0.09 0.91 2.19 -1.26 -5.10 117.98 117.58 1oof s PHE 121 Ca 0.63 -0.36 0.01 0.00 0.33 0.00 0.00 56.93 57.54 1oof s PHE 121 Cb -0.42 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 1oof s PHE 121 CO 0.40 0.03 -0.11 -1.64 1.83 0.00 0.00 175.22 175.73 1oof s MET 122 N -0.48 1.75 -0.07 10.12 -1.94 -1.26 -2.26 119.30 125.16 1oof s MET 122 Ca 0.06 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.64 1oof s MET 122 Cb -0.12 -1.56 -0.03 0.00 2.01 0.00 0.00 34.83 35.13 1oof s MET 122 CO 0.01 -0.08 -0.02 -0.46 -0.01 0.00 0.00 175.02 174.46 1oof s TRP 123 N 1.06 3.09 -1.55 -0.03 -0.11 -1.08 -4.95 118.94 115.37 1oof s TRP 123 Ca -0.07 0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.39 1oof s TRP 123 Cb -0.15 -1.75 0.00 0.00 -1.50 0.00 0.00 33.47 30.07 1oof s TRP 123 CO -0.01 0.43 0.39 -2.30 -4.62 0.00 0.00 176.95 170.84