#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1otk h GLY 2 N 0.00 0.53 1.72 1.57 0.00 -1.99 0.93 103.07 105.83 1otk h GLY 2 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1otk h GLY 2 CO 0.00 -0.14 -0.21 3.43 0.00 0.00 0.00 176.54 179.62 1otk h ASN 3 N 0.12 0.33 -0.20 0.19 -0.26 -1.99 -2.17 115.58 111.60 1otk h ASN 3 Ca 0.26 -0.09 -0.18 0.00 -0.56 0.00 0.00 56.30 55.72 1otk h ASN 3 Cb 0.39 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1otk h ASN 3 CO -0.43 0.55 -0.59 1.56 -1.06 0.00 0.00 177.43 177.47 1otk h GLN 4 N 0.31 0.75 -0.57 0.81 4.20 -1.60 -2.01 115.11 116.99 1otk h GLN 4 Ca 0.05 -0.54 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 1otk h GLN 4 Cb 0.54 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1otk h GLN 4 CO 0.04 1.16 0.05 1.25 -0.67 0.00 0.00 178.83 180.66 1otk h LEU 5 N 0.47 0.91 -0.23 1.46 5.85 -0.77 -0.20 115.31 122.80 1otk h LEU 5 Ca -0.02 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1otk h LEU 5 Cb 1.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1otk h LEU 5 CO 0.13 0.94 0.11 0.74 -0.34 0.00 0.00 178.44 180.01 1otk h THR 6 N 0.88 1.14 -0.71 1.05 2.02 -1.37 -1.09 112.91 114.84 1otk h THR 6 Ca 0.17 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1otk h THR 6 Cb 0.45 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1otk h THR 6 CO 0.02 0.14 0.32 0.00 0.37 0.00 0.00 175.52 176.37 1otk h ALA 7 N 0.97 0.92 -0.27 6.16 0.00 -1.03 -0.53 119.26 125.48 1otk h ALA 7 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1otk h ALA 7 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1otk h ALA 7 CO -0.01 0.50 0.07 -0.92 0.00 0.00 0.00 179.25 178.89 1otk h TYR 8 N 1.00 0.44 -0.24 0.00 3.20 -0.86 -1.91 116.97 118.60 1otk h TYR 8 Ca 0.24 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1otk h TYR 8 Cb 0.15 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1otk h TYR 8 CO 0.01 0.50 0.08 1.15 -1.64 0.00 0.00 178.16 178.25 1otk h THR 9 N 0.26 1.19 -0.74 1.81 2.02 -1.06 -2.94 112.91 113.44 1otk h THR 9 Ca 0.08 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1otk h THR 9 Cb 0.27 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1otk h THR 9 CO 0.00 0.20 0.46 0.25 0.37 0.00 0.00 175.52 176.79 1otk h LEU 10 N 0.21 0.88 -0.58 2.58 5.85 -1.05 -1.63 115.31 121.58 1otk h LEU 10 Ca 0.08 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1otk h LEU 10 Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1otk h LEU 10 CO -0.00 0.66 0.28 0.03 -0.34 0.00 0.00 178.44 179.07 1otk h ARG 11 N 1.02 0.83 -0.47 1.25 3.08 -1.23 0.40 114.38 119.25 1otk h ARG 11 Ca 0.27 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 1otk h ARG 11 Cb -0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1otk h ARG 11 CO -0.05 0.68 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.32 1otk h LEU 12 N 0.78 0.89 -0.46 3.04 3.38 -1.32 -1.56 115.31 120.06 1otk h LEU 12 Ca 0.20 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1otk h LEU 12 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1otk h LEU 12 CO -0.02 1.03 0.09 1.23 0.09 0.00 0.00 178.44 180.86 1otk h GLY 13 N 0.96 0.81 1.11 0.83 0.00 -0.75 -2.94 103.07 103.09 1otk h GLY 13 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1otk h GLY 13 CO 0.05 0.49 0.51 -0.55 0.00 0.00 0.00 176.54 177.04 1otk h ASP 14 N 0.62 1.04 0.04 0.19 3.32 0.04 0.10 116.42 121.76 1otk h ASP 14 Ca 0.14 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1otk h ASP 14 Cb 0.36 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1otk h ASP 14 CO 0.01 0.80 -0.15 0.78 -1.72 0.00 0.00 179.24 178.95 1otk h ASN 15 N 1.19 -0.44 -0.16 6.45 2.35 -1.12 -0.87 115.58 122.98 1otk h ASN 15 Ca 0.31 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1otk h ASN 15 Cb -0.04 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1otk h ASN 15 CO -0.06 -0.22 0.09 0.00 -1.65 0.00 0.00 177.43 175.59 1otk h LEU 17 N 0.16 -0.24 -0.53 0.00 5.85 -0.84 0.13 115.31 119.84 1otk h LEU 17 Ca 0.06 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1otk h LEU 17 Cb 0.07 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1otk h LEU 17 CO -0.01 -0.14 0.29 0.58 -0.34 0.00 0.00 178.44 178.82 1otk h VAL 18 N -0.19 1.18 -0.35 1.05 2.07 -1.17 -2.49 116.25 116.35 1otk h VAL 18 Ca 0.01 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 1otk h VAL 18 Cb 0.19 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1otk h VAL 18 CO -0.04 0.19 -0.19 0.25 0.02 0.00 0.00 177.57 177.80 1otk h LEU 19 N 0.70 0.66 -1.11 2.57 5.85 -1.24 -2.63 115.31 120.11 1otk h LEU 19 Ca 0.19 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1otk h LEU 19 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1otk h LEU 19 CO -0.03 0.85 0.14 0.77 -0.34 0.00 0.00 178.44 179.82 1otk h SER 20 N 0.59 0.71 -0.32 1.25 4.64 -0.72 -1.26 113.55 118.45 1otk h SER 20 Ca 0.09 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1otk h SER 20 Cb 0.64 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1otk h SER 20 CO 0.05 0.70 -0.19 -0.61 -0.87 0.00 0.00 176.83 175.90 1otk h GLN 21 N 0.75 0.79 -0.51 4.77 4.15 -1.15 -0.38 115.11 123.53 1otk h GLN 21 Ca 0.17 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 1otk h GLN 21 Cb 0.26 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1otk h GLN 21 CO -0.00 0.92 0.03 0.00 -1.93 0.00 0.00 178.83 177.85 1otk h ARG 22 N 0.69 0.88 -0.06 1.69 2.47 -1.08 -2.60 114.38 116.37 1otk h ARG 22 Ca 0.10 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.48 1otk h ARG 22 Cb 0.70 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1otk h ARG 22 CO 0.05 0.90 -0.31 -0.07 0.56 0.00 0.00 179.97 181.10 1otk h LEU 23 N 0.75 0.11 -1.54 3.04 3.38 -1.04 -2.14 115.31 117.88 1otk h LEU 23 Ca 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1otk h LEU 23 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1otk h LEU 23 CO 0.02 0.43 -0.23 1.23 0.09 0.00 0.00 178.44 179.97 1otk h GLY 24 N 1.02 0.00 2.00 0.83 0.00 -0.71 -2.03 103.07 104.17 1otk h GLY 24 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1otk h GLY 24 CO 0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.76 1otk n GLU 25 N -3.85 0.01 0.05 4.80 1.02 -0.80 -2.62 120.64 119.25 1otk n GLU 25 Ca -0.02 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1otk n GLU 25 Cb 0.32 -1.52 0.29 0.00 -0.02 0.00 0.00 31.44 30.52 1otk n GLU 25 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1otk n TRP 26 N -1.54 0.49 -1.57 -0.32 7.02 -0.76 -4.85 117.44 115.90 1otk n TRP 26 Ca 0.05 0.14 -0.52 0.00 -1.02 0.00 0.00 57.50 56.15 1otk n TRP 26 Cb 0.24 -0.64 -0.07 0.00 -2.42 0.00 0.00 31.31 28.43 1otk n TRP 26 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1otk n GLY 28 N 5.40 0.78 0.00 0.00 0.00 -1.26 -4.89 105.19 105.22 1otk n GLY 28 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1otk n GLY 28 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1otk n HIS 29 N -2.21 0.00 -1.24 1.61 -0.00 0.34 -5.07 115.22 108.66 1otk n HIS 29 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1otk n HIS 29 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 1otk n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1otk s ALA 30 N -0.07 2.13 0.26 -1.41 0.00 -1.19 -4.93 121.76 116.55 1otk s ALA 30 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 1otk s ALA 30 Cb 0.00 -3.32 0.52 0.00 0.00 0.00 0.00 23.12 20.32 1otk s ALA 30 CO 0.00 -1.89 1.73 -1.35 0.00 0.00 0.00 175.76 174.25 1otk h PRO 31 N -1.06 0.46 -4.00 0.00 0.11 -1.96 -3.44 132.00 122.12 1otk h PRO 31 Ca -0.44 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1otk h PRO 31 Cb 1.24 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 1otk h PRO 31 CO 0.50 0.30 -0.59 -1.83 -0.21 0.00 0.00 178.00 176.17 1otk s GLU 32 N -5.99 0.59 0.29 1.05 -1.05 -1.26 -5.05 118.70 107.28 1otk s GLU 32 Ca -0.12 -0.94 0.04 0.00 -0.15 0.00 0.00 54.97 53.79 1otk s GLU 32 Cb 0.22 0.22 0.66 0.00 -0.44 0.00 0.00 34.13 34.78 1otk s GLU 32 CO 0.77 -0.13 1.79 1.25 0.95 0.00 0.00 175.26 179.88 1otk h LEU 33 N 3.48 0.78 -0.21 1.83 5.85 -1.99 -0.45 115.31 124.60 1otk h LEU 33 Ca -0.33 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1otk h LEU 33 Cb 1.17 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1otk h LEU 33 CO 0.56 0.32 0.12 -0.08 -0.34 0.00 0.00 178.44 179.02 1otk h GLU 34 N 0.80 0.25 -0.64 1.25 4.81 -1.98 -0.08 114.58 118.99 1otk h GLU 34 Ca 0.54 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.71 1otk h GLU 34 Cb 0.76 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1otk h GLU 34 CO -0.35 0.17 0.21 0.82 -0.73 0.00 0.00 179.01 179.12 1otk h ILE 35 N 0.26 1.25 -0.31 2.32 2.04 -1.75 -1.93 117.51 119.39 1otk h ILE 35 Ca 0.08 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1otk h ILE 35 Cb -0.01 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1otk h ILE 35 CO -0.03 0.32 0.07 -0.78 0.00 0.00 0.00 178.15 177.73 1otk h ASP 36 N 0.91 0.03 -0.07 1.72 3.58 -0.64 -0.52 116.42 121.43 1otk h ASP 36 Ca 0.21 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1otk h ASP 36 Cb 0.28 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1otk h ASP 36 CO -0.01 0.05 -0.20 -0.07 -2.88 0.00 0.00 179.24 176.14 1otk h LEU 37 N 0.18 0.46 -0.25 2.28 3.38 -0.86 -1.81 115.31 118.69 1otk h LEU 37 Ca 0.14 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1otk h LEU 37 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1otk h LEU 37 CO -0.18 0.67 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 1otk h ALA 38 N 1.37 0.34 -0.73 1.53 0.00 -0.66 -0.50 119.26 120.62 1otk h ALA 38 Ca 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1otk h ALA 38 Cb 0.58 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1otk h ALA 38 CO 0.04 0.11 0.23 -0.07 0.00 0.00 0.00 179.25 179.55 1otk h LEU 39 N 0.23 1.07 -1.18 0.00 3.38 -1.01 -1.10 115.31 116.69 1otk h LEU 39 Ca 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1otk h LEU 39 Cb 0.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1otk h LEU 39 CO 0.02 0.99 -0.00 0.00 0.09 0.00 0.00 178.44 179.54 1otk h ALA 40 N 1.11 1.33 -0.11 1.53 0.00 -1.19 -0.98 119.26 120.96 1otk h ALA 40 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1otk h ALA 40 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1otk h ALA 40 CO -0.01 0.46 -0.06 -0.91 0.00 0.00 0.00 179.25 178.73 1otk h ASN 41 N 0.53 0.24 -0.57 0.00 -0.26 -0.46 -2.04 115.58 113.02 1otk h ASN 41 Ca 0.11 -0.42 0.05 0.00 -0.56 0.00 0.00 56.30 55.48 1otk h ASN 41 Cb 0.35 -0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.49 1otk h ASN 41 CO 0.01 0.61 0.31 0.40 -1.06 0.00 0.00 177.43 177.70 1otk h ILE 42 N -0.14 0.97 -0.97 2.81 2.04 -0.98 -1.08 117.51 120.16 1otk h ILE 42 Ca 0.02 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1otk h ILE 42 Cb 0.52 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1otk h ILE 42 CO 0.02 0.11 0.63 1.23 0.00 0.00 0.00 178.15 180.14 1otk h GLY 43 N 0.59 1.42 1.48 5.37 0.00 -1.10 -0.21 103.07 110.62 1otk h GLY 43 Ca 0.25 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 1otk h GLY 43 CO -0.16 0.38 -0.42 1.41 0.00 0.00 0.00 176.54 177.75 1otk h LEU 44 N 1.19 0.61 -0.03 3.11 3.38 -0.61 0.74 115.31 123.70 1otk h LEU 44 Ca 0.40 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1otk h LEU 44 Cb 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1otk h LEU 44 CO -0.13 0.95 0.01 0.44 0.09 0.00 0.00 178.44 179.80 1otk h ASP 45 N 0.47 0.03 -0.99 -0.43 3.32 -0.46 -0.81 116.42 117.55 1otk h ASP 45 Ca 0.04 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1otk h ASP 45 Cb 0.93 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1otk h ASP 45 CO 0.08 0.12 0.65 -0.07 -1.72 0.00 0.00 179.24 178.31 1otk h LEU 46 N -0.06 1.11 -1.08 1.55 3.38 -0.88 -0.78 115.31 118.56 1otk h LEU 46 Ca 0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1otk h LEU 46 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1otk h LEU 46 CO -0.00 0.79 -0.17 0.25 0.09 0.00 0.00 178.44 179.40 1otk h LEU 47 N 1.31 0.44 -0.39 1.67 5.85 -0.54 -0.13 115.31 123.51 1otk h LEU 47 Ca 0.37 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1otk h LEU 47 Cb -0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1otk h LEU 47 CO -0.09 0.63 -0.04 1.23 -0.34 0.00 0.00 178.44 179.83 1otk h GLY 48 N 0.95 0.78 0.98 3.75 0.00 -0.11 -1.72 103.07 107.70 1otk h GLY 48 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1otk h GLY 48 CO 0.04 0.56 0.26 1.46 0.00 0.00 0.00 176.54 178.85 1otk h GLN 49 N 0.54 0.81 -0.98 4.80 4.20 -0.85 -2.51 115.11 121.11 1otk h GLN 49 Ca 0.11 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1otk h GLN 49 Cb 0.54 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 1otk h GLN 49 CO 0.03 0.68 0.64 0.00 -0.67 0.00 0.00 178.83 179.51 1otk h ALA 50 N 1.09 1.32 -0.46 3.87 0.00 -0.83 -1.25 119.26 123.00 1otk h ALA 50 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1otk h ALA 50 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1otk h ALA 50 CO -0.02 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.85 1otk h ARG 51 N 1.23 0.74 0.17 0.00 3.08 -1.00 -0.30 114.38 118.30 1otk h ARG 51 Ca 0.40 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1otk h ARG 51 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1otk h ARG 51 CO -0.13 0.74 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.47 1otk h ASN 52 N 0.62 -0.31 -0.09 7.04 2.35 -1.00 0.18 115.58 124.38 1otk h ASN 52 Ca 0.14 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1otk h ASN 52 Cb 0.33 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1otk h ASN 52 CO 0.00 -0.19 0.03 -0.26 -1.65 0.00 0.00 177.43 175.36 1otk h PHE 53 N -0.29 0.14 -0.45 1.19 0.04 -1.20 -1.45 116.94 114.93 1otk h PHE 53 Ca -0.01 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 1otk h PHE 53 Cb 0.26 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1otk h PHE 53 CO -0.10 0.27 -0.00 -0.07 -0.60 0.00 0.00 178.31 177.80 1otk h LEU 54 N -0.02 0.70 -0.42 1.54 4.07 -1.03 0.78 115.31 120.93 1otk h LEU 54 Ca 0.03 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 1otk h LEU 54 Cb 0.19 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1otk h LEU 54 CO -0.00 0.77 0.08 -1.28 -1.08 0.00 0.00 178.44 176.93 1otk h SER 55 N 0.69 0.65 -0.42 -0.43 0.87 -0.55 -0.95 113.55 113.41 1otk h SER 55 Ca 0.14 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 1otk h SER 55 Cb 0.43 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1otk h SER 55 CO 0.02 0.73 0.09 0.22 -0.53 0.00 0.00 176.83 177.36 1otk h TYR 56 N 0.54 0.72 -0.97 2.24 3.20 -0.86 -2.24 116.97 119.60 1otk h TYR 56 Ca 0.13 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1otk h TYR 56 Cb 0.35 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 1otk h TYR 56 CO 0.02 0.68 0.61 0.00 -1.64 0.00 0.00 178.16 177.84 1otk h ALA 57 N 0.95 1.25 -0.68 1.82 0.00 -0.69 -0.24 119.26 121.67 1otk h ALA 57 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1otk h ALA 57 Cb 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1otk h ALA 57 CO 0.00 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.18 1otk h ALA 58 N 1.35 1.18 -0.05 0.00 0.00 -0.97 0.04 119.26 120.80 1otk h ALA 58 Ca 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1otk h ALA 58 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1otk h ALA 58 CO -0.07 0.59 0.01 0.93 0.00 0.00 0.00 179.25 180.71 1otk h GLU 59 N 0.99 0.09 -0.63 0.00 5.08 -0.76 -1.48 114.58 117.88 1otk h GLU 59 Ca 0.23 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.65 1otk h GLU 59 Cb 0.20 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1otk h GLU 59 CO -0.02 0.34 0.27 -0.07 -1.00 0.00 0.00 179.01 178.53 1otk h LEU 60 N -0.17 0.31 -0.77 1.33 3.38 -0.69 -0.09 115.31 118.61 1otk h LEU 60 Ca 0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1otk h LEU 60 Cb 0.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1otk h LEU 60 CO 0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1otk n ALA 61 N -2.43 1.64 -2.25 1.53 0.00 -0.03 -4.89 120.51 114.08 1otk n ALA 61 Ca 0.09 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1otk n ALA 61 Cb 0.26 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1otk n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1otk n GLY 62 N -0.03 -0.18 3.62 0.00 0.00 -0.05 -4.97 105.19 103.57 1otk n GLY 62 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1otk n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1otk s GLU 63 N -4.71 0.43 0.78 1.61 -1.05 -1.05 -5.06 118.70 109.65 1otk s GLU 63 Ca 0.00 0.29 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 1otk s GLU 63 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1otk s GLU 63 CO 0.00 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1otk n GLY 64 N 1.37 -1.98 1.17 -3.83 0.00 -1.26 -4.72 105.19 95.95 1otk n GLY 64 Ca -0.10 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 1otk n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1otk n ASP 65 N -0.60 -0.53 -0.10 1.61 5.68 -1.26 -4.71 116.55 116.64 1otk n ASP 65 Ca 0.00 -1.62 0.06 0.00 -0.50 0.00 0.00 54.79 52.73 1otk n ASP 65 Cb 0.06 0.96 0.40 0.00 -1.14 0.00 0.00 41.12 41.39 1otk n ASP 65 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1otk h GLU 66 N 0.00 0.62 -0.24 0.11 9.09 -1.88 -2.13 114.58 120.15 1otk h GLU 66 Ca -0.10 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.21 1otk h GLU 66 Cb 0.41 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1otk h GLU 66 CO 0.13 0.41 -0.12 -0.44 0.05 0.00 0.00 179.01 179.04 1otk h ASP 67 N 0.64 0.51 -0.42 3.06 3.32 -1.96 0.70 116.42 122.26 1otk h ASP 67 Ca 0.25 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1otk h ASP 67 Cb 0.18 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1otk h ASP 67 CO -0.07 0.81 -0.03 0.71 -1.72 0.00 0.00 179.24 178.94 1otk h THR 68 N 0.21 1.25 -0.30 0.35 1.35 -1.91 0.38 112.91 114.25 1otk h THR 68 Ca 0.05 -1.09 -0.06 0.00 -0.55 0.00 0.00 66.41 64.77 1otk h THR 68 Cb 0.62 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1otk h THR 68 CO 0.04 0.38 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.58 1otk h LEU 69 N 0.78 0.54 -0.77 3.87 3.38 -1.29 0.25 115.31 122.08 1otk h LEU 69 Ca 0.14 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1otk h LEU 69 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1otk h LEU 69 CO 0.03 0.75 -0.57 0.00 0.09 0.00 0.00 178.44 178.74 1otk h ALA 70 N 0.81 0.97 -0.00 1.53 0.00 -0.64 -3.37 119.26 118.55 1otk h ALA 70 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1otk h ALA 70 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1otk h ALA 70 CO 0.02 0.71 -0.22 1.19 0.00 0.00 0.00 179.25 180.95 1otk n PHE 71 N -3.88 0.00 -1.05 0.00 3.72 0.11 -4.68 117.46 111.67 1otk n PHE 71 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1otk n PHE 71 Cb 0.58 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.36 1otk n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1otk n THR 72 N -0.86 2.24 -5.01 4.37 -2.24 0.89 -4.98 114.28 108.69 1otk n THR 72 Ca 0.02 -2.03 -0.32 0.00 -2.27 0.00 0.00 64.05 59.44 1otk n THR 72 Cb 0.10 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 67.93 1otk n THR 72 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1otk s ARG 73 N -2.88 2.63 0.89 -0.78 0.52 -1.26 -5.00 118.95 113.08 1otk s ARG 73 Ca 0.40 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.74 1otk s ARG 73 Cb 0.34 -2.33 0.19 0.00 0.52 0.00 0.00 34.95 33.66 1otk s ARG 73 CO 0.07 0.48 1.21 0.16 0.02 0.00 0.00 175.30 177.25 1otk s ASP 74 N -0.38 3.43 0.40 0.23 1.47 -1.26 -4.90 116.67 115.65 1otk s ASP 74 Ca 0.04 -0.08 0.08 0.00 1.18 0.00 0.00 52.55 53.76 1otk s ASP 74 Cb -0.12 -0.02 0.83 0.00 -0.34 0.00 0.00 42.92 43.27 1otk s ASP 74 CO 0.02 -2.50 2.00 1.05 0.68 0.00 0.00 175.17 176.42 1otk h GLU 75 N -1.27 0.42 0.00 2.11 4.11 -1.94 -1.82 114.58 116.18 1otk h GLU 75 Ca -0.40 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1otk h GLU 75 Cb 1.24 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1otk h GLU 75 CO 0.35 0.37 0.00 0.54 0.07 0.00 0.00 179.01 180.34 1otk n ARG 76 N -4.40 0.01 -0.00 1.06 5.12 -1.26 -1.98 116.66 115.21 1otk n ARG 76 Ca 0.01 0.25 0.08 0.00 -1.93 0.00 0.00 57.85 56.27 1otk n ARG 76 Cb 0.15 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.84 1otk n ARG 76 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1otk n GLN 77 N -1.49 1.20 -2.84 5.56 6.02 -0.70 -4.39 117.38 120.73 1otk n GLN 77 Ca 0.04 -0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 1otk n GLN 77 Cb 0.16 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1otk n GLN 77 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1otk s PHE 78 N -2.72 3.68 -0.13 1.08 0.40 -0.84 -4.93 117.98 114.53 1otk s PHE 78 Ca 0.04 1.71 0.16 0.00 -0.60 0.00 0.00 56.93 58.25 1otk s PHE 78 Cb 0.13 -2.87 0.28 0.00 0.51 0.00 0.00 43.02 41.07 1otk s PHE 78 CO 0.71 0.23 1.15 -1.13 0.70 0.00 0.00 175.22 176.88 1otk n SER 79 N 0.58 2.03 -4.79 1.36 3.41 -1.26 -3.31 113.62 111.65 1otk n SER 79 Ca 0.01 -3.08 -0.33 0.00 -0.26 0.00 0.00 58.87 55.21 1otk n SER 79 Cb 0.50 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1otk n SER 79 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1otk s ASN 80 N -2.75 5.48 0.64 4.04 4.22 -1.26 -3.93 114.94 121.39 1otk s ASN 80 Ca 0.30 1.90 -0.17 0.00 -2.14 0.00 0.00 52.86 52.75 1otk s ASN 80 Cb 0.27 -2.54 -0.01 0.00 1.28 0.00 0.00 41.25 40.25 1otk s ASN 80 CO 0.01 -1.38 1.18 -0.76 -2.04 0.00 0.00 177.10 174.11 1otk s LEU 81 N -4.66 3.52 0.39 3.54 1.43 -1.26 -3.83 118.68 117.81 1otk s LEU 81 Ca 0.65 2.27 0.13 0.00 -1.03 0.00 0.00 54.13 56.15 1otk s LEU 81 Cb -0.18 -4.58 0.79 0.00 0.03 0.00 0.00 46.19 42.25 1otk s LEU 81 CO 0.39 -1.74 1.87 -0.07 0.23 0.00 0.00 176.35 177.02 1otk h LEU 82 N 0.41 0.00 -0.92 1.79 3.38 -1.93 -3.17 115.31 114.87 1otk h LEU 82 Ca -0.49 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1otk h LEU 82 Cb 1.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 1otk h LEU 82 CO 0.54 0.33 0.56 0.25 0.09 0.00 0.00 178.44 180.21 1otk h LEU 83 N 0.00 0.83 -0.66 1.67 5.85 -1.92 -2.65 115.31 118.43 1otk h LEU 83 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1otk h LEU 83 Cb 0.58 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1otk h LEU 83 CO 0.04 0.47 0.00 -0.37 -0.34 0.00 0.00 178.44 178.24 1otk h VAL 84 N 0.93 0.00 -0.02 1.05 -1.51 -1.92 -3.12 116.25 111.67 1otk h VAL 84 Ca 0.45 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1otk h VAL 84 Cb 0.39 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1otk h VAL 84 CO -0.25 0.00 -0.05 -1.84 -1.23 0.00 0.00 177.57 174.21 1otk n GLU 85 N -2.76 1.69 -2.24 5.19 0.28 -1.00 -4.23 120.64 117.56 1otk n GLU 85 Ca 0.03 -1.11 -0.37 0.00 -0.16 0.00 0.00 57.16 55.55 1otk n GLU 85 Cb 0.37 -1.48 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 1otk n GLU 85 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1otk s GLN 86 N -2.08 3.73 0.72 3.44 -1.52 -1.18 -4.61 119.66 118.16 1otk s GLN 86 Ca 0.34 1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 55.38 1otk s GLN 86 Cb 0.20 -2.40 0.03 0.00 -0.22 0.00 0.00 33.01 30.63 1otk s GLN 86 CO 0.36 -0.58 1.24 -1.25 -0.25 0.00 0.00 175.29 174.81 1otk s PRO 87 N -2.71 2.17 0.32 2.91 0.04 -1.26 -4.92 135.00 131.56 1otk s PRO 87 Ca 0.64 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.57 1otk s PRO 87 Cb -0.29 -1.82 0.59 0.00 0.04 0.00 0.00 34.50 33.01 1otk s PRO 87 CO 0.35 -1.84 1.95 -0.91 0.04 0.00 0.00 177.00 176.59 1otk h ASN 88 N -0.13 0.82 0.00 6.66 2.35 -1.94 -3.47 115.58 119.89 1otk h ASN 88 Ca -0.48 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1otk h ASN 88 Cb 1.31 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1otk h ASN 88 CO 0.50 0.55 0.00 0.61 -1.65 0.00 0.00 177.43 177.44 1otk n GLY 89 N -1.42 0.89 3.62 2.83 0.00 -1.26 -2.98 105.19 106.87 1otk n GLY 89 Ca 0.11 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1otk n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1otk n ASN 90 N -2.42 0.66 -0.07 1.61 0.23 -1.26 -4.85 115.26 109.16 1otk n ASN 90 Ca 0.00 -1.75 0.05 0.00 -0.53 0.00 0.00 54.58 52.35 1otk n ASN 90 Cb 0.00 -0.78 0.40 0.00 -2.08 0.00 0.00 39.78 37.31 1otk n ASN 90 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1otk h PHE 91 N -1.18 0.61 -0.51 -2.53 3.57 -1.98 -2.10 116.94 112.81 1otk h PHE 91 Ca -0.36 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.08 1otk h PHE 91 Cb 1.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 1otk h PHE 91 CO 0.00 0.36 0.00 0.00 -2.23 0.00 0.00 178.31 176.44 1otk h ALA 92 N 1.69 0.68 -0.46 2.41 0.00 -1.91 -0.68 119.26 120.98 1otk h ALA 92 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1otk h ALA 92 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1otk h ALA 92 CO -0.05 0.50 0.08 -0.44 0.00 0.00 0.00 179.25 179.34 1otk h ASP 93 N 0.76 0.66 0.31 0.00 3.32 -1.64 -1.28 116.42 118.56 1otk h ASP 93 Ca 0.14 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1otk h ASP 93 Cb 0.52 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1otk h ASP 93 CO 0.03 0.68 -0.70 0.74 -1.72 0.00 0.00 179.24 178.27 1otk h THR 94 N 0.69 1.39 -0.41 0.35 2.02 -1.18 -2.45 112.91 113.32 1otk h THR 94 Ca 0.15 -2.13 -0.15 0.00 0.77 0.00 0.00 66.41 65.06 1otk h THR 94 Cb 0.30 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1otk h THR 94 CO 0.00 0.63 -0.32 0.40 0.37 0.00 0.00 175.52 176.61 1otk h ILE 95 N 0.24 1.27 -0.14 3.11 1.08 -0.69 -0.62 117.51 121.76 1otk h ILE 95 Ca -0.02 -1.49 -0.02 0.00 -0.39 0.00 0.00 64.86 62.94 1otk h ILE 95 Cb 1.26 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.29 1otk h ILE 95 CO 0.12 0.50 0.02 0.00 -0.69 0.00 0.00 178.15 178.10 1otk h ALA 96 N 0.85 0.18 -0.58 1.87 0.00 -1.23 0.11 119.26 120.47 1otk h ALA 96 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1otk h ALA 96 Cb 0.90 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1otk h ALA 96 CO 0.08 -0.16 0.37 -0.09 0.00 0.00 0.00 179.25 179.45 1otk h ARG 97 N 0.01 0.72 -0.21 0.00 2.43 -1.41 -1.73 114.38 114.19 1otk h ARG 97 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1otk h ARG 97 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1otk h ARG 97 CO 0.00 0.48 -0.01 0.37 -1.51 0.00 0.00 179.97 179.30 1otk h GLN 98 N 0.74 0.38 -0.67 0.20 5.75 -0.94 -2.59 115.11 117.98 1otk h GLN 98 Ca 0.22 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 1otk h GLN 98 Cb -0.04 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1otk h GLN 98 CO -0.07 0.58 0.40 -0.92 -2.65 0.00 0.00 178.83 176.18 1otk h TYR 99 N 0.14 0.75 -0.68 3.99 3.20 -0.63 0.20 116.97 123.94 1otk h TYR 99 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1otk h TYR 99 Cb 0.42 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1otk h TYR 99 CO 0.04 0.40 0.14 0.74 -1.64 0.00 0.00 178.16 177.84 1otk h PHE 100 N 0.77 1.17 0.06 -3.82 0.04 -1.27 -1.56 116.94 112.32 1otk h PHE 100 Ca 0.28 -0.15 -0.24 0.00 2.80 0.00 0.00 57.97 60.67 1otk h PHE 100 Cb 0.09 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 1otk h PHE 100 CO -0.06 0.96 -1.08 0.97 -0.60 0.00 0.00 178.31 178.51 1otk h ILE 101 N 1.03 1.53 -0.48 -0.55 6.09 -1.15 -2.93 117.51 121.05 1otk h ILE 101 Ca 0.21 -2.95 -0.05 0.00 -1.37 0.00 0.00 64.86 60.70 1otk h ILE 101 Cb 0.40 2.76 -0.02 0.00 0.47 0.00 0.00 36.82 40.43 1otk h ILE 101 CO 0.01 0.86 0.11 0.44 -3.07 0.00 0.00 178.15 176.50 1otk h ASP 102 N 0.09 0.73 -0.93 2.19 3.32 -0.51 0.24 116.42 121.56 1otk h ASP 102 Ca -0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1otk h ASP 102 Cb 1.78 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 41.09 1otk h ASP 102 CO 0.17 0.78 0.53 0.00 -1.72 0.00 0.00 179.24 179.00 1otk h ALA 103 N 0.98 1.19 -0.24 3.45 0.00 -1.35 -0.50 119.26 122.79 1otk h ALA 103 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1otk h ALA 103 Cb 0.33 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1otk h ALA 103 CO 0.00 0.67 -0.00 2.35 0.00 0.00 0.00 179.25 182.27 1otk h TRP 104 N 1.29 0.46 -0.73 0.00 7.01 -1.25 -2.15 115.95 120.59 1otk h TRP 104 Ca 0.33 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1otk h TRP 104 Cb -0.01 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 1otk h TRP 104 CO 0.01 0.60 0.42 0.45 -2.79 0.00 0.00 178.44 177.13 1otk h HIS 105 N 0.19 0.98 -0.36 2.65 3.86 -0.17 0.46 115.15 122.77 1otk h HIS 105 Ca 0.07 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1otk h HIS 105 Cb 0.42 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1otk h HIS 105 CO 0.04 0.68 0.17 0.28 0.86 0.00 0.00 177.93 179.96 1otk h VAL 106 N 1.00 1.16 -0.36 2.45 2.07 -1.04 0.29 116.25 121.82 1otk h VAL 106 Ca 0.26 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1otk h VAL 106 Cb 0.00 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1otk h VAL 106 CO -0.05 0.17 0.16 0.00 0.02 0.00 0.00 177.57 177.88 1otk h ALA 107 N 1.03 0.47 0.65 1.67 0.00 -1.07 -2.38 119.26 119.63 1otk h ALA 107 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1otk h ALA 107 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1otk h ALA 107 CO -0.02 0.04 -0.31 1.25 0.00 0.00 0.00 179.25 180.22 1otk h LEU 108 N 0.44 -0.74 -1.65 0.00 5.85 -0.74 -3.27 115.31 115.20 1otk h LEU 108 Ca 0.12 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1otk h LEU 108 Cb 0.14 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1otk h LEU 108 CO -0.01 -0.38 -0.08 -0.26 -0.34 0.00 0.00 178.44 177.36 1otk h PHE 109 N -1.14 0.12 -0.34 1.25 0.04 -1.02 0.30 116.94 116.15 1otk h PHE 109 Ca -0.09 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.72 1otk h PHE 109 Cb 0.70 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1otk h PHE 109 CO 0.00 0.21 0.23 1.15 -0.60 0.00 0.00 178.31 179.30 1otk h THR 110 N 0.12 0.96 0.01 -1.55 2.02 -1.49 -1.99 112.91 110.99 1otk h THR 110 Ca 0.03 -0.09 -0.38 0.00 0.77 0.00 0.00 66.41 66.73 1otk h THR 110 Cb 0.23 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.26 1otk h THR 110 CO 0.01 0.05 -2.42 0.54 0.37 0.00 0.00 175.52 174.07 1otk n ARG 111 N -4.48 0.66 0.26 6.66 1.74 -0.64 -4.37 116.66 116.49 1otk n ARG 111 Ca 0.04 0.14 0.17 0.00 -0.77 0.00 0.00 57.85 57.43 1otk n ARG 111 Cb 0.23 -1.54 0.80 0.00 -1.02 0.00 0.00 32.46 30.93 1otk n ARG 111 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1otk h LEU 112 N 0.01 0.00 0.00 0.55 5.85 -0.38 -1.46 115.31 119.88 1otk h LEU 112 Ca -0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1otk h LEU 112 Cb 1.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1otk h LEU 112 CO -0.06 0.00 0.00 1.15 -0.34 0.00 0.00 178.44 179.19 1otk n MET 113 N -2.84 0.23 -0.38 1.25 0.00 -0.76 -1.14 117.12 113.48 1otk n MET 113 Ca -0.00 0.13 0.09 0.00 0.00 0.00 0.00 57.70 57.92 1otk n MET 113 Cb 0.19 -1.50 0.24 0.00 0.00 0.00 0.00 33.22 32.15 1otk n MET 113 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1otk n GLU 114 N -1.24 2.68 -2.00 3.17 1.02 -0.55 -4.70 120.64 119.03 1otk n GLU 114 Ca 0.07 -2.79 -0.37 0.00 -0.02 0.00 0.00 57.16 54.05 1otk n GLU 114 Cb 0.09 -1.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.76 1otk n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1otk s SER 115 N -2.05 5.48 0.54 1.62 0.15 -0.29 -4.90 113.70 114.24 1otk s SER 115 Ca 0.40 2.50 0.30 0.00 0.70 0.00 0.00 55.95 59.85 1otk s SER 115 Cb 0.33 -2.61 1.52 0.00 -1.71 0.00 0.00 66.02 63.54 1otk s SER 115 CO 0.08 -1.41 2.08 0.03 1.20 0.00 0.00 173.24 175.22 1otk h ARG 116 N 1.40 0.00 -6.44 5.44 3.08 -1.48 -3.40 114.38 112.98 1otk h ARG 116 Ca -0.50 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.98 1otk h ARG 116 Cb 1.29 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.27 1otk h ARG 116 CO 0.57 0.10 0.86 0.34 -1.07 0.00 0.00 179.97 180.76 1otk s ASP 117 N -5.98 6.80 0.26 7.04 2.15 -1.26 -4.93 116.67 120.74 1otk s ASP 117 Ca -0.02 0.79 -0.04 0.00 0.43 0.00 0.00 52.55 53.71 1otk s ASP 117 Cb 0.12 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.56 1otk s ASP 117 CO 0.56 -1.02 1.89 1.55 -0.17 0.00 0.00 175.17 177.98 1otk h PRO 118 N 8.55 1.15 -0.46 4.34 0.13 -1.99 -0.11 132.00 143.62 1otk h PRO 118 Ca -0.22 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 1otk h PRO 118 Cb 1.06 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1otk h PRO 118 CO 1.06 0.76 -0.02 1.96 -0.23 0.00 0.00 178.00 181.54 1otk h GLN 119 N 1.19 0.82 -0.30 0.86 7.50 -1.94 0.50 115.11 123.73 1otk h GLN 119 Ca 0.40 -0.27 -0.12 0.00 0.50 0.00 0.00 58.65 59.17 1otk h GLN 119 Cb 0.08 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1otk h GLN 119 CO -0.15 0.88 -0.30 -0.07 -1.50 0.00 0.00 178.83 177.70 1otk h LEU 120 N 0.66 0.64 -0.51 1.46 3.38 -1.87 0.25 115.31 119.33 1otk h LEU 120 Ca 0.13 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1otk h LEU 120 Cb 0.53 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1otk h LEU 120 CO 0.03 0.90 -0.02 0.00 0.09 0.00 0.00 178.44 179.44 1otk h ALA 121 N 1.14 0.68 0.06 1.53 0.00 -0.81 -0.60 119.26 121.26 1otk h ALA 121 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1otk h ALA 121 Cb 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1otk h ALA 121 CO 0.06 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.80 1otk h ALA 122 N 0.93 -0.09 -0.55 0.00 0.00 -0.66 0.32 119.26 119.21 1otk h ALA 122 Ca 0.14 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1otk h ALA 122 Cb 0.55 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1otk h ALA 122 CO 0.03 -0.39 0.28 0.82 0.00 0.00 0.00 179.25 180.00 1otk h ILE 123 N -0.41 0.96 -0.43 0.00 2.04 -0.93 -2.02 117.51 116.71 1otk h ILE 123 Ca -0.01 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1otk h ILE 123 Cb 0.36 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1otk h ILE 123 CO 0.01 0.10 -0.03 0.28 0.00 0.00 0.00 178.15 178.51 1otk h SER 124 N 0.54 0.69 -0.34 1.72 0.02 -1.05 0.73 113.55 115.87 1otk h SER 124 Ca 0.24 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1otk h SER 124 Cb 0.15 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1otk h SER 124 CO -0.17 0.78 0.15 0.00 -1.14 0.00 0.00 176.83 176.46 1otk h ALA 125 N 1.29 1.52 0.21 3.77 0.00 -0.23 -0.50 119.26 125.32 1otk h ALA 125 Ca 0.13 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 1otk h ALA 125 Cb 0.46 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1otk h ALA 125 CO 0.02 0.37 -1.66 0.87 0.00 0.00 0.00 179.25 178.86 1otk h LYS 126 N 0.56 0.44 -0.82 0.00 1.79 -1.05 -3.37 116.57 114.12 1otk h LYS 126 Ca 0.14 -0.74 -0.01 0.00 -2.18 0.00 0.00 60.65 57.85 1otk h LYS 126 Cb 0.13 0.28 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1otk h LYS 126 CO -0.01 1.36 0.47 0.00 -1.08 0.00 0.00 179.45 180.18 1otk h ALA 127 N 0.11 1.05 -0.79 3.86 0.00 -0.62 -2.96 119.26 119.90 1otk h ALA 127 Ca -0.32 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.54 1otk h ALA 127 Cb 2.11 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1otk h ALA 127 CO 0.20 0.53 0.52 0.97 0.00 0.00 0.00 179.25 181.48 1otk h ILE 128 N 1.13 1.06 -0.42 0.00 6.09 -1.25 0.13 117.51 124.24 1otk h ILE 128 Ca 0.29 -0.30 -0.02 0.00 -1.37 0.00 0.00 64.86 63.46 1otk h ILE 128 Cb -0.01 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 37.36 1otk h ILE 128 CO -0.05 0.16 0.19 0.11 -3.07 0.00 0.00 178.15 175.49 1otk h LYS 129 N 0.88 0.60 -0.32 2.19 1.57 -1.69 -1.44 116.57 118.36 1otk h LYS 129 Ca 0.34 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1otk h LYS 129 Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1otk h LYS 129 CO -0.11 0.54 -0.00 0.93 -0.57 0.00 0.00 179.45 180.23 1otk h GLU 130 N 0.53 0.57 -0.90 3.15 5.08 -1.41 -3.01 114.58 118.59 1otk h GLU 130 Ca 0.14 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1otk h GLU 130 Cb 0.14 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1otk h GLU 130 CO -0.02 0.71 0.58 0.00 -1.00 0.00 0.00 179.01 179.28 1otk h ALA 131 N 0.85 1.75 -0.80 3.43 0.00 -0.49 -1.17 119.26 122.84 1otk h ALA 131 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1otk h ALA 131 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1otk h ALA 131 CO 0.02 0.02 0.38 0.00 0.00 0.00 0.00 179.25 179.66 1otk h ARG 132 N 0.77 1.15 -0.55 0.00 3.08 -1.13 -0.52 114.38 117.17 1otk h ARG 132 Ca 0.45 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 1otk h ARG 132 Cb 0.62 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1otk h ARG 132 CO -0.21 0.89 0.01 1.88 -1.07 0.00 0.00 179.97 181.47 1otk h TYR 133 N 1.13 1.05 -0.04 3.04 0.05 -1.25 -1.89 116.97 119.06 1otk h TYR 133 Ca 0.27 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1otk h TYR 133 Cb 0.12 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.58 1otk h TYR 133 CO 0.01 0.95 0.02 0.45 -1.05 0.00 0.00 178.16 178.54 1otk h HIS 134 N 0.85 0.04 -0.46 4.88 3.86 -0.89 -1.74 115.15 121.69 1otk h HIS 134 Ca 0.16 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1otk h HIS 134 Cb 0.53 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.94 1otk h HIS 134 CO 0.04 0.02 0.20 1.25 0.86 0.00 0.00 177.93 180.30 1otk h LEU 135 N 0.04 0.25 -0.59 2.43 5.85 -0.97 0.14 115.31 122.46 1otk h LEU 135 Ca 0.01 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1otk h LEU 135 Cb -0.00 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1otk h LEU 135 CO -0.01 0.18 0.28 -0.09 -0.34 0.00 0.00 178.44 178.47 1otk h ARG 136 N 0.40 0.51 0.67 1.25 2.43 -1.09 0.20 114.38 118.74 1otk h ARG 136 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1otk h ARG 136 Cb 0.16 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1otk h ARG 136 CO -0.18 0.34 -0.32 0.35 -1.51 0.00 0.00 179.97 178.65 1otk h PHE 137 N 0.52 -0.83 -0.32 2.20 3.57 -0.45 0.05 116.94 121.67 1otk h PHE 137 Ca 0.28 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1otk h PHE 137 Cb 0.24 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1otk h PHE 137 CO -0.12 -0.49 0.17 0.66 -2.23 0.00 0.00 178.31 176.30 1otk h SER 138 N -0.98 0.42 -0.51 0.41 4.64 -0.80 -1.08 113.55 115.64 1otk h SER 138 Ca -0.09 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1otk h SER 138 Cb 0.71 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1otk h SER 138 CO 0.15 0.41 0.13 -0.09 -0.87 0.00 0.00 176.83 176.55 1otk h ARG 139 N 0.40 0.87 -0.36 4.77 2.43 -0.66 -0.36 114.38 121.46 1otk h ARG 139 Ca 0.11 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1otk h ARG 139 Cb 0.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1otk h ARG 139 CO -0.02 0.78 0.22 0.78 -1.51 0.00 0.00 179.97 180.23 1otk h GLY 140 N 0.99 0.53 2.00 2.80 0.00 -0.63 -1.22 103.07 107.53 1otk h GLY 140 Ca 0.18 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1otk h GLY 140 CO 0.00 0.21 -0.55 1.49 0.00 0.00 0.00 176.54 177.69 1otk h TRP 141 N 0.47 0.00 0.07 5.60 4.06 -0.89 -1.07 115.95 124.20 1otk h TRP 141 Ca 0.13 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.08 1otk h TRP 141 Cb 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1otk h TRP 141 CO -0.04 0.55 -0.03 1.25 -3.56 0.00 0.00 178.44 176.61 1otk h LEU 142 N 0.00 -0.08 -0.71 -4.49 5.85 -0.71 0.12 115.31 115.29 1otk h LEU 142 Ca -0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1otk h LEU 142 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1otk h LEU 142 CO 0.07 0.10 0.41 -0.08 -0.34 0.00 0.00 178.44 178.60 1otk h GLU 143 N -0.26 0.98 -0.49 1.25 4.22 -1.16 -0.44 114.58 118.67 1otk h GLU 143 Ca -0.01 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.26 1otk h GLU 143 Cb 0.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1otk h GLU 143 CO 0.02 0.71 0.03 -0.09 -2.18 0.00 0.00 179.01 177.50 1otk h ARG 144 N 0.97 0.85 0.07 1.92 2.43 -0.95 -1.98 114.38 117.68 1otk h ARG 144 Ca 0.25 -0.25 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1otk h ARG 144 Cb -0.00 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1otk h ARG 144 CO -0.04 0.87 -1.12 -0.07 -1.51 0.00 0.00 179.97 178.10 1otk h LEU 145 N 0.71 0.69 -0.63 3.80 3.38 -0.67 -2.42 115.31 120.17 1otk h LEU 145 Ca 0.14 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1otk h LEU 145 Cb 0.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1otk h LEU 145 CO 0.02 1.43 0.29 1.23 0.09 0.00 0.00 178.44 181.50 1otk h GLY 146 N 0.84 0.99 -1.50 0.83 0.00 -1.07 -2.06 103.07 101.09 1otk h GLY 146 Ca -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1otk h GLY 146 CO 0.20 0.48 0.00 0.70 0.00 0.00 0.00 176.54 177.92 1otk n ASN 147 N -4.48 2.36 0.00 0.19 3.02 -0.75 -4.18 115.26 111.42 1otk n ASN 147 Ca 0.04 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1otk n ASN 147 Cb 0.14 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1otk n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1otk n GLY 148 N 1.24 0.77 3.58 7.41 0.00 -0.91 -5.03 105.19 112.26 1otk n GLY 148 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1otk n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1otk s THR 149 N 1.14 2.14 0.22 2.61 2.01 -1.26 -4.75 115.64 117.75 1otk s THR 149 Ca 0.00 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1otk s THR 149 Cb 0.00 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1otk s THR 149 CO 0.00 -0.06 1.56 0.44 -0.69 0.00 0.00 174.62 175.87 1otk h ASP 150 N -2.22 0.47 0.71 3.53 5.19 -1.95 -0.77 116.42 121.37 1otk h ASP 150 Ca -0.54 -0.24 -0.15 0.00 -0.62 0.00 0.00 57.03 55.48 1otk h ASP 150 Cb 1.31 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1otk h ASP 150 CO 0.49 0.90 -0.71 0.58 -3.12 0.00 0.00 179.24 177.38 1otk h VAL 151 N 0.33 1.51 0.08 -1.35 2.07 -1.96 -2.35 116.25 114.58 1otk h VAL 151 Ca 0.01 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1otk h VAL 151 Cb 1.03 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1otk h VAL 151 CO 0.09 0.70 -0.04 0.28 0.02 0.00 0.00 177.57 178.62 1otk h SER 152 N 0.00 -0.09 0.04 0.57 0.02 -1.73 0.09 113.55 112.45 1otk h SER 152 Ca -0.01 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1otk h SER 152 Cb 1.26 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1otk h SER 152 CO 0.09 0.47 -0.02 1.23 -1.14 0.00 0.00 176.83 177.45 1otk h GLY 153 N -0.69 0.00 0.75 -3.77 0.00 -0.45 0.15 103.07 99.06 1otk h GLY 153 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1otk h GLY 153 CO 0.02 0.00 -0.45 -1.61 0.00 0.00 0.00 176.54 174.50 1otk h GLN 154 N 0.00 0.40 -0.15 4.80 4.15 -1.31 -1.96 115.11 121.03 1otk h GLN 154 Ca -0.00 -0.36 -0.11 0.00 0.77 0.00 0.00 58.65 58.95 1otk h GLN 154 Cb 0.05 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1otk h GLN 154 CO 0.00 1.01 -0.40 0.87 -1.93 0.00 0.00 178.83 178.38 1otk h LYS 155 N -0.09 0.34 -0.30 1.69 1.79 -0.21 -1.97 116.57 117.81 1otk h LYS 155 Ca -0.04 -0.16 -0.18 0.00 -2.18 0.00 0.00 60.65 58.09 1otk h LYS 155 Cb 1.13 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1otk h LYS 155 CO 0.09 0.69 -0.51 1.98 -1.08 0.00 0.00 179.45 180.63 1otk h MET 156 N 0.28 0.86 -0.58 3.15 4.05 -0.76 -1.16 114.93 120.77 1otk h MET 156 Ca 0.03 -0.52 -0.08 0.00 -0.28 0.00 0.00 59.70 58.84 1otk h MET 156 Cb 0.84 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.67 1otk h MET 156 CO 0.07 1.16 0.04 0.37 0.23 0.00 0.00 176.91 178.78 1otk h GLN 157 N 0.67 1.00 -0.26 0.39 5.75 -1.23 -1.68 115.11 119.75 1otk h GLN 157 Ca 0.03 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.16 1otk h GLN 157 Cb 1.10 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.54 1otk h GLN 157 CO 0.11 0.97 -0.15 1.96 -2.65 0.00 0.00 178.83 179.08 1otk h GLN 158 N 0.90 0.44 -0.24 1.69 4.20 -1.25 -0.86 115.11 119.98 1otk h GLN 158 Ca 0.17 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1otk h GLN 158 Cb 0.49 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1otk h GLN 158 CO 0.02 0.58 -0.07 0.00 -0.67 0.00 0.00 178.83 178.70 1otk h ALA 159 N 1.44 0.34 -0.26 3.87 0.00 -0.87 -1.80 119.26 121.97 1otk h ALA 159 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1otk h ALA 159 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1otk h ALA 159 CO 0.03 0.14 0.16 0.82 0.00 0.00 0.00 179.25 180.40 1otk h ILE 160 N 0.21 1.09 0.18 0.00 2.04 -1.12 -2.84 117.51 117.08 1otk h ILE 160 Ca 0.06 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1otk h ILE 160 Cb 0.54 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1otk h ILE 160 CO 0.03 0.09 -0.11 0.78 0.00 0.00 0.00 178.15 178.93 1otk h ASN 161 N 0.33 -0.28 0.64 1.72 2.35 -1.09 -2.56 115.58 116.70 1otk h ASN 161 Ca 0.09 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1otk h ASN 161 Cb 0.00 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1otk h ASN 161 CO -0.02 -0.18 -0.14 0.07 -1.65 0.00 0.00 177.43 175.51 1otk h LYS 162 N -0.28 0.00 -0.01 0.81 2.10 -1.32 -3.02 116.57 114.84 1otk h LYS 162 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1otk h LYS 162 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1otk h LYS 162 CO 0.01 0.14 -0.47 1.28 -2.00 0.00 0.00 179.45 178.41 1otk n LEU 163 N -3.44 1.96 0.26 7.07 4.77 -1.07 -4.38 117.00 122.17 1otk n LEU 163 Ca -0.01 -0.73 0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1otk n LEU 163 Cb 0.31 -0.01 0.64 0.00 -2.33 0.00 0.00 43.42 42.03 1otk n LEU 163 CO 0.30 0.37 1.04 -0.25 -1.33 0.00 0.00 177.39 177.52 1otk h TRP 164 N 2.34 0.00 0.00 -1.77 2.91 -1.32 -1.38 115.95 116.73 1otk h TRP 164 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1otk h TRP 164 Cb 0.74 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1otk h TRP 164 CO 0.00 0.04 0.00 2.89 -1.03 0.00 0.00 178.44 180.34 1otk n ARG 165 N -4.41 0.35 -0.04 2.65 1.85 -1.26 -1.76 116.66 114.04 1otk n ARG 165 Ca -0.03 0.04 0.03 0.00 -1.00 0.00 0.00 57.85 56.89 1otk n ARG 165 Cb 0.12 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.08 1otk n ARG 165 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1otk n PHE 166 N -1.07 0.11 0.01 2.89 3.72 -0.52 -2.03 117.46 120.57 1otk n PHE 166 Ca 0.09 -0.24 -0.12 0.00 -0.05 0.00 0.00 57.45 57.13 1otk n PHE 166 Cb 0.06 -0.02 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 1otk n PHE 166 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1otk h THR 167 N 1.05 0.96 -0.78 4.37 1.35 -1.44 -3.37 112.91 115.04 1otk h THR 167 Ca 0.00 -2.74 -0.01 0.00 -0.55 0.00 0.00 66.41 63.11 1otk h THR 167 Cb 0.42 2.55 -0.04 0.00 -1.73 0.00 0.00 68.15 69.35 1otk h THR 167 CO 0.00 0.68 0.44 0.00 -0.25 0.00 0.00 175.52 176.39 1otk h ALA 168 N 0.73 1.30 -0.45 6.62 0.00 -1.84 -2.45 119.26 123.18 1otk h ALA 168 Ca -0.27 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.66 1otk h ALA 168 Cb 1.99 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1otk h ALA 168 CO 0.10 0.58 0.38 1.49 0.00 0.00 0.00 179.25 181.80 1otk h GLU 169 N 1.09 0.00 0.00 0.00 4.81 -1.80 -0.75 114.58 117.93 1otk h GLU 169 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1otk h GLU 169 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1otk h GLU 169 CO -0.05 0.00 0.00 -0.07 -0.73 0.00 0.00 179.01 178.16 1otk h LEU 170 N 0.00 0.00 -2.44 1.64 4.07 -1.65 -3.16 115.31 113.77 1otk h LEU 170 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1otk h LEU 170 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1otk h LEU 170 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 1otk n PHE 171 N -2.68 0.19 -3.44 1.13 3.72 -0.29 -4.80 117.46 111.29 1otk n PHE 171 Ca -0.00 -0.35 -0.37 0.00 -0.05 0.00 0.00 57.45 56.67 1otk n PHE 171 Cb 0.17 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1otk n PHE 171 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1otk s ASP 172 N -0.86 6.85 -0.08 4.37 1.01 -1.20 -2.67 116.67 124.09 1otk s ASP 172 Ca 0.11 1.03 -0.00 0.00 0.71 0.00 0.00 52.55 54.40 1otk s ASP 172 Cb 0.06 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1otk s ASP 172 CO 0.09 0.27 -0.06 0.00 0.21 0.00 0.00 175.17 175.68 1otk s ALA 173 N -1.17 3.02 0.10 5.23 0.00 -1.26 -4.75 121.76 122.93 1otk s ALA 173 Ca 0.28 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1otk s ALA 173 Cb -0.17 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.65 1otk s ALA 173 CO 0.16 0.52 0.08 -0.40 0.00 0.00 0.00 175.76 176.11 1otk n ASP 174 N 2.43 1.26 -0.35 0.00 5.75 -1.26 -4.92 116.55 119.47 1otk n ASP 174 Ca -0.18 -1.34 0.06 0.00 -0.01 0.00 0.00 54.79 53.32 1otk n ASP 174 Cb 0.53 -0.01 0.23 0.00 -1.03 0.00 0.00 41.12 40.83 1otk n ASP 174 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1otk h GLU 175 N 0.00 0.91 -0.37 0.11 3.07 -2.00 -1.68 114.58 114.63 1otk h GLU 175 Ca -0.06 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.68 1otk h GLU 175 Cb 0.23 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1otk h GLU 175 CO 0.10 0.60 -0.02 0.82 -1.40 0.00 0.00 179.01 179.11 1otk h ILE 176 N 0.93 1.26 0.12 3.13 2.04 -1.95 -0.97 117.51 122.07 1otk h ILE 176 Ca 0.48 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1otk h ILE 176 Cb 0.48 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1otk h ILE 176 CO -0.27 0.34 -0.06 0.44 0.00 0.00 0.00 178.15 178.60 1otk h ASP 177 N 0.47 -0.15 0.08 1.72 3.32 -1.80 -0.76 116.42 119.29 1otk h ASP 177 Ca 0.10 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1otk h ASP 177 Cb 0.50 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1otk h ASP 177 CO 0.02 -0.10 -0.04 0.40 -1.72 0.00 0.00 179.24 177.80 1otk h ILE 178 N -0.17 0.96 0.07 0.35 2.04 -1.30 0.22 117.51 119.68 1otk h ILE 178 Ca -0.01 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1otk h ILE 178 Cb 0.13 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1otk h ILE 178 CO 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 178.15 178.17 1otk h ALA 179 N 0.77 -0.09 -0.09 1.87 0.00 -1.15 -1.71 119.26 118.85 1otk h ALA 179 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1otk h ALA 179 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1otk h ALA 179 CO 0.02 -0.55 -0.30 -0.07 0.00 0.00 0.00 179.25 178.35 1otk h LEU 180 N -0.10 0.17 -0.57 0.00 3.38 -1.10 -2.50 115.31 114.60 1otk h LEU 180 Ca -0.01 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1otk h LEU 180 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1otk h LEU 180 CO 0.02 0.48 -0.68 0.77 0.09 0.00 0.00 178.44 179.12 1otk h SER 181 N 0.16 0.22 0.44 -0.43 4.64 -0.79 -0.53 113.55 117.25 1otk h SER 181 Ca 0.02 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1otk h SER 181 Cb 0.62 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1otk h SER 181 CO 0.05 0.83 -0.31 -0.33 -0.87 0.00 0.00 176.83 176.19 1otk h GLU 182 N 0.13 0.00 -0.05 4.77 5.08 -0.97 -1.18 114.58 122.37 1otk h GLU 182 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1otk h GLU 182 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1otk h GLU 182 CO 0.10 0.31 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 1otk n GLU 183 N -3.93 1.39 -1.08 2.33 1.02 -0.97 -4.90 120.64 114.50 1otk n GLU 183 Ca -0.02 -0.58 -0.03 0.00 -0.02 0.00 0.00 57.16 56.52 1otk n GLU 183 Cb 0.38 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 1otk n GLU 183 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1otk n GLY 184 N 1.05 0.56 0.13 0.62 0.00 -0.44 -4.87 105.19 102.23 1otk n GLY 184 Ca 0.19 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1otk n GLY 184 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1otk n ILE 185 N -2.72 1.58 -3.73 -0.61 5.41 -0.28 -1.50 119.36 117.51 1otk n ILE 185 Ca -0.03 -0.34 -0.21 0.00 1.00 0.00 0.00 62.75 63.18 1otk n ILE 185 Cb 0.19 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.24 1otk n ILE 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1otk s ALA 186 N -2.47 3.91 -0.19 -1.39 0.00 -0.77 -4.45 121.76 116.41 1otk s ALA 186 Ca -0.31 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 49.81 1otk s ALA 186 Cb 0.09 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1otk s ALA 186 CO 0.60 -0.07 0.16 0.08 0.00 0.00 0.00 175.76 176.54 1otk s VAL 187 N -2.36 5.39 -0.30 0.00 1.01 -1.26 -4.04 120.40 118.84 1otk s VAL 187 Ca 0.43 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 1otk s VAL 187 Cb -0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1otk s VAL 187 CO 0.27 0.44 1.38 -0.62 0.00 0.00 0.00 175.10 176.58 1otk s ASP 188 N 0.27 6.56 0.31 3.32 -1.08 -1.26 -4.91 116.67 119.88 1otk s ASP 188 Ca 0.10 1.24 0.08 0.00 -0.52 0.00 0.00 52.55 53.45 1otk s ASP 188 Cb -0.11 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.64 1otk s ASP 188 CO -0.00 -1.17 1.73 -0.65 0.52 0.00 0.00 175.17 175.60 1otk h PRO 189 N 9.79 0.56 -0.39 4.34 0.11 -1.86 -0.59 132.00 143.96 1otk h PRO 189 Ca -0.28 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.90 1otk h PRO 189 Cb 1.11 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1otk h PRO 189 CO 1.03 0.37 0.28 0.00 -0.21 0.00 0.00 178.00 179.47 1otk h ARG 190 N 0.58 0.03 -0.00 1.05 3.08 -1.80 -0.60 114.38 116.71 1otk h ARG 190 Ca 0.62 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1otk h ARG 190 Cb 1.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1otk h ARG 190 CO -0.47 0.02 -0.02 0.25 -1.07 0.00 0.00 179.97 178.69 1otk n THR 191 N -4.43 0.00 0.49 2.04 -2.24 -0.23 -3.37 114.28 106.54 1otk n THR 191 Ca 0.06 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1otk n THR 191 Cb 0.44 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1otk n THR 191 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1otk n LEU 192 N -0.91 0.59 -0.20 3.22 4.77 -0.23 -4.39 117.00 119.85 1otk n LEU 192 Ca 0.20 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1otk n LEU 192 Cb 0.18 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1otk n LEU 192 CO 0.20 0.03 1.04 -0.09 -1.33 0.00 0.00 177.39 177.23 1otk h ARG 193 N 0.00 0.53 0.12 3.23 9.65 -1.64 -1.24 114.38 125.03 1otk h ARG 193 Ca 0.00 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 1otk h ARG 193 Cb 0.77 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 1otk h ARG 193 CO 0.00 0.35 -0.30 0.00 2.80 0.00 0.00 179.97 182.82 1otk h ALA 194 N 1.33 -0.51 -0.54 2.80 0.00 -1.83 0.16 119.26 120.68 1otk h ALA 194 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1otk h ALA 194 Cb 0.21 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1otk h ALA 194 CO -0.20 -0.84 0.29 0.00 0.00 0.00 0.00 179.25 178.50 1otk h ALA 195 N 0.16 0.69 -0.23 0.00 0.00 -1.79 -1.73 119.26 116.37 1otk h ALA 195 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1otk h ALA 195 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1otk h ALA 195 CO -0.17 0.22 0.11 2.35 0.00 0.00 0.00 179.25 181.76 1otk h TRP 196 N 0.73 0.21 -0.84 0.00 7.01 -0.84 -2.32 115.95 119.90 1otk h TRP 196 Ca 0.19 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1otk h TRP 196 Cb 0.05 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.02 1otk h TRP 196 CO -0.01 0.12 0.39 0.93 -2.79 0.00 0.00 178.44 177.07 1otk h GLU 197 N 0.24 1.22 -0.95 2.65 5.08 -0.54 -0.16 114.58 122.11 1otk h GLU 197 Ca 0.09 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1otk h GLU 197 Cb 0.02 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 28.99 1otk h GLU 197 CO -0.06 0.95 0.60 0.00 -1.00 0.00 0.00 179.01 179.49 1otk h ALA 198 N 1.22 1.33 0.07 3.43 0.00 -0.94 -0.98 119.26 123.39 1otk h ALA 198 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1otk h ALA 198 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1otk h ALA 198 CO -0.03 0.36 -0.03 1.49 0.00 0.00 0.00 179.25 181.03 1otk h GLU 199 N 1.08 -0.09 -1.00 0.00 4.57 -0.99 -3.27 114.58 114.87 1otk h GLU 199 Ca 0.42 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.71 1otk h GLU 199 Cb 0.21 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.74 1otk h GLU 199 CO -0.18 -0.06 0.64 0.28 -1.18 0.00 0.00 179.01 178.51 1otk h VAL 200 N -0.28 0.96 -0.40 0.32 2.07 -1.08 -0.73 116.25 117.11 1otk h VAL 200 Ca -0.01 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.01 1otk h VAL 200 Cb 0.07 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1otk h VAL 200 CO 0.02 0.19 -0.31 -0.26 0.02 0.00 0.00 177.57 177.22 1otk h PHE 201 N 1.04 1.09 -0.06 1.57 -1.00 -1.37 -1.52 116.94 116.69 1otk h PHE 201 Ca 0.48 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.95 1otk h PHE 201 Cb 0.41 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 1otk h PHE 201 CO -0.00 1.12 0.02 0.00 -1.61 0.00 0.00 178.31 177.84 1otk h ALA 202 N 0.79 0.08 -0.51 2.45 0.00 -1.51 -1.95 119.26 118.61 1otk h ALA 202 Ca 0.08 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1otk h ALA 202 Cb 0.90 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1otk h ALA 202 CO 0.08 -0.32 0.23 0.78 0.00 0.00 0.00 179.25 180.03 1otk h GLY 203 N -0.10 0.70 1.02 0.00 0.00 -1.09 0.18 103.07 103.79 1otk h GLY 203 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1otk h GLY 203 CO -0.00 0.07 0.30 -2.22 0.00 0.00 0.00 176.54 174.69 1otk h ILE 204 N 0.45 1.24 -0.08 2.60 2.04 -1.19 -0.28 117.51 122.29 1otk h ILE 204 Ca 0.23 -0.74 -0.20 0.00 1.00 0.00 0.00 64.86 65.15 1otk h ILE 204 Cb 0.19 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1otk h ILE 204 CO -0.19 0.30 -0.77 0.78 0.00 0.00 0.00 178.15 178.27 1otk h ASN 205 N 1.01 0.56 0.17 1.72 2.35 -1.03 0.42 115.58 120.78 1otk h ASN 205 Ca 0.24 -0.38 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1otk h ASN 205 Cb 0.19 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1otk h ASN 205 CO -0.02 1.13 -0.20 -0.08 -1.65 0.00 0.00 177.43 176.61 1otk h GLU 206 N 0.31 0.06 -0.19 0.81 4.81 -0.38 0.36 114.58 120.35 1otk h GLU 206 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1otk h GLU 206 Cb 1.36 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1otk h GLU 206 CO 0.14 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.67 1otk n ALA 207 N -2.50 2.49 -3.49 2.92 0.00 -0.14 -4.88 120.51 114.93 1otk n ALA 207 Ca -0.02 -0.26 -0.25 0.00 0.00 0.00 0.00 53.44 52.92 1otk n ALA 207 Cb 0.28 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.79 1otk n ALA 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1otk n THR 208 N -0.07 -2.42 -4.69 0.00 -1.04 0.12 -3.68 114.28 102.49 1otk n THR 208 Ca 0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 1otk n THR 208 Cb 0.14 -3.51 -0.09 0.00 -1.82 0.00 0.00 70.33 65.05 1otk n THR 208 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1otk s LEU 209 N -7.09 2.53 -0.09 -4.42 1.43 0.11 -4.97 118.68 106.19 1otk s LEU 209 Ca 0.52 -1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1otk s LEU 209 Cb -0.24 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1otk s LEU 209 CO 0.64 -0.68 -0.06 0.20 0.23 0.00 0.00 176.35 176.67 1otk s ASN 210 N -3.79 4.65 -0.07 2.29 0.02 -1.26 -4.10 114.94 112.68 1otk s ASN 210 Ca 0.19 -0.05 -0.30 0.00 -1.02 0.00 0.00 52.86 51.68 1otk s ASN 210 Cb 0.05 -1.32 -0.03 0.00 0.02 0.00 0.00 41.25 39.98 1otk s ASN 210 CO 0.10 0.32 1.18 -0.69 0.02 0.00 0.00 177.10 178.03 1otk s VAL 211 N -0.53 4.32 0.81 1.60 1.01 -1.26 -4.93 120.40 121.41 1otk s VAL 211 Ca 0.08 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.56 1otk s VAL 211 Cb -0.12 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.30 1otk s VAL 211 CO 0.02 -0.01 1.18 -2.84 0.00 0.00 0.00 175.10 173.45 1otk s PRO 212 N 2.31 1.64 0.19 2.72 0.02 -1.26 -4.98 135.00 135.64 1otk s PRO 212 Ca 0.55 1.66 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 1otk s PRO 212 Cb -0.24 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1otk s PRO 212 CO 0.21 -2.19 0.77 -1.14 -0.33 0.00 0.00 177.00 174.32 1otk s GLN 213 N -4.26 4.48 0.49 5.54 2.00 -1.26 -5.03 119.66 121.61 1otk s GLN 213 Ca 0.71 1.09 -0.22 0.00 -2.00 0.00 0.00 55.36 54.94 1otk s GLN 213 Cb -0.26 -3.13 -0.07 0.00 0.80 0.00 0.00 33.01 30.35 1otk s GLN 213 CO 0.51 0.51 1.20 -1.21 -0.50 0.00 0.00 175.29 175.80 1otk s GLU 214 N -1.43 3.56 0.21 1.67 0.41 -1.26 -5.02 118.70 116.84 1otk s GLU 214 Ca 0.39 1.86 -0.17 0.00 -0.41 0.00 0.00 54.97 56.63 1otk s GLU 214 Cb -0.21 -2.32 0.06 0.00 -1.78 0.00 0.00 34.13 29.88 1otk s GLU 214 CO 0.25 -0.74 0.84 0.00 -0.49 0.00 0.00 175.26 175.12 1otk n GLN 215 N -0.71 0.67 -1.46 1.61 10.64 -1.26 -5.14 117.38 121.73 1otk n GLN 215 Ca 0.09 -1.45 -0.45 0.00 -1.83 0.00 0.00 57.00 53.36 1otk n GLN 215 Cb 0.48 1.91 -0.01 0.00 -0.86 0.00 0.00 30.24 31.75 1otk n GLN 215 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1otk n ALA 216 N -1.02 -1.74 -2.38 2.61 0.00 -1.26 -4.97 120.51 111.75 1otk n ALA 216 Ca -0.13 0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 1otk n ALA 216 Cb 0.51 -1.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 1otk n ALA 216 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1otk s TYR 217 N -1.20 1.70 -0.05 0.00 -0.85 -1.26 -4.93 117.35 110.76 1otk s TYR 217 Ca 0.62 -1.14 -0.05 0.00 -0.52 0.00 0.00 57.07 55.98 1otk s TYR 217 Cb -0.75 -1.04 -0.04 0.00 0.38 0.00 0.00 41.96 40.51 1otk s TYR 217 CO 0.58 -0.24 0.18 1.03 -1.52 0.00 0.00 175.55 175.59 1otk s ARG 218 N -3.95 3.48 0.38 -3.49 0.52 -0.86 -5.08 118.95 109.95 1otk s ARG 218 Ca 0.36 -0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 55.30 1otk s ARG 218 Cb 0.07 -3.14 0.04 0.00 0.52 0.00 0.00 34.95 32.45 1otk s ARG 218 CO 0.15 0.72 0.68 -2.37 0.02 0.00 0.00 175.30 174.49 1otk n THR 219 N 1.43 0.00 0.00 0.02 5.66 -1.26 -4.54 114.28 115.60 1otk n THR 219 Ca -0.15 -1.33 0.00 0.00 -3.05 0.00 0.00 64.05 59.52 1otk n THR 219 Cb 0.54 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 1otk n THR 219 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1otk n GLY 220 N -0.56 1.96 0.23 1.09 0.00 -1.26 -4.90 105.19 101.75 1otk n GLY 220 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1otk n GLY 220 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1otk h GLY 221 N 0.00 0.55 1.41 -0.02 0.00 -1.59 0.01 103.07 103.43 1otk h GLY 221 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.53 1otk h GLY 221 CO 0.00 -0.21 0.22 0.50 0.00 0.00 0.00 176.54 177.06 1otk h LYS 222 N 0.06 0.00 -0.64 4.80 1.57 -1.68 -1.50 116.57 119.19 1otk h LYS 222 Ca 0.30 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.70 1otk h LYS 222 Cb 0.47 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.56 1otk h LYS 222 CO -0.55 0.00 0.09 0.36 -0.57 0.00 0.00 179.45 178.78 1otk n LYS 223 N -4.05 2.32 -1.00 3.15 2.85 -0.47 -4.72 118.16 116.24 1otk n LYS 223 Ca 0.03 -3.34 -0.00 0.00 -1.05 0.00 0.00 58.31 53.96 1otk n LYS 223 Cb 0.37 -2.03 -0.00 0.00 -0.65 0.00 0.00 35.03 32.72 1otk n LYS 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1otk n GLY 224 N -1.03 0.39 3.26 2.58 0.00 -0.56 -4.99 105.19 104.83 1otk n GLY 224 Ca 0.45 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 1otk n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1otk s LEU 225 N -0.00 5.87 0.44 0.99 1.43 -0.13 -4.15 118.68 123.12 1otk s LEU 225 Ca 0.00 -1.82 0.07 0.00 -1.03 0.00 0.00 54.13 51.35 1otk s LEU 225 Cb 0.00 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1otk s LEU 225 CO 0.00 -0.75 0.34 -1.00 0.23 0.00 0.00 176.35 175.17 1otk s HIS 226 N 1.47 2.48 0.97 0.29 3.76 -1.26 -1.91 115.29 121.09 1otk s HIS 226 Ca 0.04 -0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 54.21 1otk s HIS 226 Cb -0.28 -2.08 0.21 0.00 1.11 0.00 0.00 32.58 31.54 1otk s HIS 226 CO 0.01 -0.12 1.33 0.95 -0.85 0.00 0.00 174.74 176.06 1otk s THR 227 N -2.56 2.00 0.23 1.30 -4.23 -1.26 -4.93 115.64 106.19 1otk s THR 227 Ca 0.44 -0.00 0.35 0.00 -1.18 0.00 0.00 61.69 61.30 1otk s THR 227 Cb -0.01 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 71.20 1otk s THR 227 CO 0.26 0.00 2.06 1.05 -0.54 0.00 0.00 174.62 177.45 1otk h GLU 228 N -1.68 0.00 0.00 3.99 4.11 -2.00 -3.20 114.58 115.79 1otk h GLU 228 Ca -0.44 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.89 1otk h GLU 228 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1otk h GLU 228 CO 0.36 0.00 -0.49 0.45 0.07 0.00 0.00 179.01 179.40 1otk h HIS 229 N 0.00 0.00 -0.21 2.06 3.86 -1.92 -3.36 115.15 115.59 1otk h HIS 229 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1otk h HIS 229 Cb 0.17 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1otk h HIS 229 CO 0.00 0.49 -0.12 1.25 0.86 0.00 0.00 177.93 180.41 1otk h LEU 230 N 0.00 0.46 -0.39 2.43 5.85 -1.81 -3.09 115.31 118.76 1otk h LEU 230 Ca -0.00 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.37 1otk h LEU 230 Cb 1.09 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 1otk h LEU 230 CO 0.06 0.79 -0.33 1.23 -0.34 0.00 0.00 178.44 179.85 1otk h GLY 231 N 0.14 -0.27 1.27 3.75 0.00 -1.81 -0.67 103.07 105.49 1otk h GLY 231 Ca 0.04 0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.81 1otk h GLY 231 CO 0.03 -0.21 0.46 -2.55 0.00 0.00 0.00 176.54 174.28 1otk h PRO 232 N -0.26 0.89 -0.29 4.80 0.11 -1.76 -2.15 132.00 133.34 1otk h PRO 232 Ca 0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1otk h PRO 232 Cb 0.54 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1otk h PRO 232 CO -0.54 0.59 0.16 0.52 -0.21 0.00 0.00 178.00 178.52 1otk h MET 233 N 0.91 0.41 -0.80 1.05 2.86 -1.11 -1.14 114.93 117.11 1otk h MET 233 Ca 0.26 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1otk h MET 233 Cb -0.05 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 1otk h MET 233 CO -0.06 0.36 0.31 -0.07 1.06 0.00 0.00 176.91 178.51 1otk h LEU 234 N 0.36 1.11 -1.06 1.22 3.38 -0.78 -1.21 115.31 118.33 1otk h LEU 234 Ca 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1otk h LEU 234 Cb 0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1otk h LEU 234 CO -0.02 0.98 0.43 0.00 0.09 0.00 0.00 178.44 179.92 1otk h ALA 235 N 1.17 1.28 -0.65 1.53 0.00 -1.12 -0.65 119.26 120.81 1otk h ALA 235 Ca 0.27 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1otk h ALA 235 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1otk h ALA 235 CO -0.02 0.59 0.07 1.49 0.00 0.00 0.00 179.25 181.37 1otk h GLU 236 N 1.09 1.10 -0.47 0.00 4.81 -0.48 -1.27 114.58 119.37 1otk h GLU 236 Ca 0.28 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1otk h GLU 236 Cb 0.03 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1otk h GLU 236 CO -0.04 1.03 0.17 0.52 -0.73 0.00 0.00 179.01 179.96 1otk h MET 237 N 1.02 0.71 -0.11 1.92 2.86 -0.60 -0.34 114.93 120.38 1otk h MET 237 Ca 0.19 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1otk h MET 237 Cb 0.49 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1otk h MET 237 CO 0.02 0.66 0.01 1.96 1.06 0.00 0.00 176.91 180.62 1otk h GLN 238 N 0.61 0.05 0.03 1.72 4.20 -0.95 -1.43 115.11 119.34 1otk h GLN 238 Ca 0.15 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1otk h GLN 238 Cb 0.23 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1otk h GLN 238 CO -0.01 0.03 -0.27 -0.92 -0.67 0.00 0.00 178.83 177.00 1otk h TYR 239 N 0.05 -0.72 -0.17 2.96 3.20 -0.93 -1.87 116.97 119.50 1otk h TYR 239 Ca 0.05 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.99 1otk h TYR 239 Cb 0.05 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1otk h TYR 239 CO -0.13 -0.36 0.14 -0.07 -1.64 0.00 0.00 178.16 176.10 1otk h LEU 240 N -0.42 0.00 -0.80 2.82 3.38 -0.86 0.05 115.31 119.48 1otk h LEU 240 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1otk h LEU 240 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1otk h LEU 240 CO -0.21 0.00 -0.52 -0.61 0.09 0.00 0.00 178.44 177.18 1otk h GLN 241 N 0.00 0.20 0.09 1.13 5.75 -0.44 -2.83 115.11 119.00 1otk h GLN 241 Ca 0.08 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1otk h GLN 241 Cb 0.35 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1otk h GLN 241 CO -0.00 0.67 -0.04 0.00 -2.65 0.00 0.00 178.83 176.81 1otk h ARG 242 N 0.15 -0.11 0.00 1.69 3.08 -0.71 -3.39 114.38 115.10 1otk h ARG 242 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1otk h ARG 242 Cb 0.98 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1otk h ARG 242 CO 0.08 0.08 0.00 1.55 -1.07 0.00 0.00 179.97 180.60 1otk n VAL 243 N -4.84 0.00 1.31 2.04 3.14 -0.38 -5.13 118.33 114.48 1otk n VAL 243 Ca -0.03 1.42 0.13 0.00 -2.96 0.00 0.00 64.34 62.90 1otk n VAL 243 Cb 0.12 -2.16 0.36 0.00 -1.06 0.00 0.00 33.84 31.10 1otk n VAL 243 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55