#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwk n ALA -2 N 0.00 2.44 -3.75 4.61 0.00 -1.26 -5.00 120.51 117.55 3fwk n ALA -2 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 53.44 52.42 3fwk n ALA -2 Cb 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 18.77 3fwk n ALA -2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fwk n MET -1 N 1.22 -6.36 -2.81 0.00 2.00 -1.26 -4.54 117.12 105.36 3fwk n MET -1 Ca 0.14 0.69 -0.41 0.00 0.00 0.00 0.00 57.70 58.12 3fwk n MET -1 Cb 0.53 -5.61 -0.03 0.00 0.00 0.00 0.00 33.22 28.11 3fwk n MET -1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fwk s VAL 0 N -3.35 4.89 -0.06 2.03 1.01 -1.26 -4.42 120.40 119.23 3fwk s VAL 0 Ca 0.52 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.38 3fwk s VAL 0 Cb -0.25 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3fwk s VAL 0 CO 0.79 0.12 -0.16 -0.04 0.00 0.00 0.00 175.10 175.80 3fwk s MET 1 N 1.42 2.65 0.75 2.72 1.00 -0.27 -5.02 119.30 122.55 3fwk s MET 1 Ca 0.45 -0.73 -0.15 0.00 0.00 0.00 0.00 55.69 55.26 3fwk s MET 1 Cb -0.19 -2.38 0.05 0.00 0.00 0.00 0.00 34.83 32.31 3fwk s MET 1 CO 0.20 0.51 1.23 1.03 0.00 0.00 0.00 175.02 177.99 3fwk s ARG 2 N -0.45 1.98 0.22 2.03 0.52 -1.26 -3.65 118.95 118.33 3fwk s ARG 2 Ca 0.05 1.83 -0.09 0.00 -0.52 0.00 0.00 55.73 57.00 3fwk s ARG 2 Cb -0.12 -1.81 0.23 0.00 0.52 0.00 0.00 34.95 33.77 3fwk s ARG 2 CO 0.02 -1.98 1.85 1.25 0.02 0.00 0.00 175.30 176.46 3fwk h LEU 3 N -0.41 0.74 -0.73 2.53 5.85 -1.87 0.33 115.31 121.75 3fwk h LEU 3 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3fwk h LEU 3 Cb 1.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3fwk h LEU 3 CO 0.49 0.50 0.35 1.23 -0.34 0.00 0.00 178.44 180.66 3fwk h GLY 4 N 0.88 1.12 1.13 3.75 0.00 -1.94 0.84 103.07 108.85 3fwk h GLY 4 Ca 0.31 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3fwk h GLY 4 CO -0.13 0.53 0.14 -0.55 0.00 0.00 0.00 176.54 176.53 3fwk h ASP 5 N 1.02 1.02 -0.42 0.19 3.32 -1.68 -0.35 116.42 119.52 3fwk h ASP 5 Ca 0.25 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3fwk h ASP 5 Cb 0.12 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3fwk h ASP 5 CO -0.03 1.00 0.23 0.00 -1.72 0.00 0.00 179.24 178.71 3fwk h ALA 6 N 1.13 0.53 -0.62 3.45 0.00 -0.45 -0.76 119.26 122.55 3fwk h ALA 6 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fwk h ALA 6 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fwk h ALA 6 CO 0.01 0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.51 3fwk h ALA 7 N 1.08 0.81 -0.54 0.00 0.00 -0.64 -0.97 119.26 119.00 3fwk h ALA 7 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3fwk h ALA 7 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3fwk h ALA 7 CO -0.02 0.47 0.12 1.49 0.00 0.00 0.00 179.25 181.32 3fwk h GLU 8 N 0.88 0.86 -0.45 0.00 4.81 -0.96 -0.19 114.58 119.54 3fwk h GLU 8 Ca 0.20 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3fwk h GLU 8 Cb 0.29 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 3fwk h GLU 8 CO -0.01 0.82 0.16 1.25 -0.73 0.00 0.00 179.01 180.50 3fwk h LEU 9 N 0.76 0.17 -0.70 1.64 5.85 -0.93 -0.09 115.31 122.01 3fwk h LEU 9 Ca 0.17 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3fwk h LEU 9 Cb 0.35 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fwk h LEU 9 CO 0.00 0.13 -0.10 0.00 -0.34 0.00 0.00 178.44 178.14 3fwk h TYR 11 N 0.81 0.49 -0.46 0.00 3.20 -0.73 -1.25 116.97 119.04 3fwk h TYR 11 Ca 0.13 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3fwk h TYR 11 Cb 0.62 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3fwk h TYR 11 CO 0.04 0.29 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.90 3fwk h ASN 12 N 0.53 0.82 0.23 -2.11 2.35 -0.37 -0.43 115.58 116.61 3fwk h ASN 12 Ca 0.18 -0.33 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 3fwk h ASN 12 Cb 0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3fwk h ASN 12 CO -0.08 0.95 -0.55 0.17 -1.65 0.00 0.00 177.43 176.28 3fwk h LEU 13 N 0.68 0.38 -0.26 1.61 8.10 -0.98 -0.60 115.31 124.24 3fwk h LEU 13 Ca 0.13 -0.20 -0.06 0.00 0.11 0.00 0.00 57.88 57.85 3fwk h LEU 13 Cb 0.55 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 3fwk h LEU 13 CO 0.03 0.85 -0.08 0.74 -4.11 0.00 0.00 178.44 175.88 3fwk h THR 14 N 0.26 1.29 -0.94 0.15 2.02 -1.13 -0.17 112.91 114.40 3fwk h THR 14 Ca 0.00 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.08 3fwk h THR 14 Cb 1.05 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 3fwk h THR 14 CO 0.09 0.35 0.62 0.28 0.37 0.00 0.00 175.52 177.23 3fwk h SER 15 N 0.25 1.09 -0.56 4.18 0.02 -0.98 -0.97 113.55 116.58 3fwk h SER 15 Ca 0.06 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3fwk h SER 15 Cb 0.56 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3fwk h SER 15 CO 0.03 0.79 0.19 0.28 -1.14 0.00 0.00 176.83 176.98 3fwk h SER 16 N 1.28 0.81 -0.83 3.07 0.02 -0.91 -2.08 113.55 114.90 3fwk h SER 16 Ca 0.34 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3fwk h SER 16 Cb -0.14 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.15 3fwk h SER 16 CO -0.07 0.78 0.49 0.22 -1.14 0.00 0.00 176.83 177.12 3fwk h TYR 17 N 0.78 1.11 0.00 3.45 3.20 -0.50 -1.63 116.97 123.38 3fwk h TYR 17 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3fwk h TYR 17 Cb 0.25 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3fwk h TYR 17 CO 0.01 0.75 0.00 -0.07 -1.64 0.00 0.00 178.16 177.21 3fwk h LEU 18 N 1.15 0.00 -0.94 2.82 3.38 -0.81 -1.88 115.31 119.02 3fwk h LEU 18 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3fwk h LEU 18 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3fwk h LEU 18 CO -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.34 3fwk n GLN 19 N -2.89 1.43 -1.72 1.13 6.02 -0.63 -4.86 117.38 115.86 3fwk n GLN 19 Ca -0.01 -0.94 -0.42 0.00 -0.01 0.00 0.00 57.00 55.62 3fwk n GLN 19 Cb 0.18 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 3fwk n GLN 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3fwk s ILE 20 N -2.22 2.71 -0.11 5.09 1.01 -0.71 -4.91 121.20 122.06 3fwk s ILE 20 Ca 0.30 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3fwk s ILE 20 Cb 0.20 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3fwk s ILE 20 CO 0.42 -0.00 1.26 0.00 0.00 0.00 0.00 174.94 176.62 3fwk s ALA 21 N 3.21 3.59 0.04 9.38 0.00 -1.26 -5.03 121.76 131.69 3fwk s ALA 21 Ca 0.82 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3fwk s ALA 21 Cb -0.45 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 3fwk s ALA 21 CO 0.37 -1.01 -0.08 0.00 0.00 0.00 0.00 175.76 175.04 3fwk s ALA 22 N 2.96 0.65 0.58 0.00 0.00 -1.26 -5.09 121.76 119.61 3fwk s ALA 22 Ca 0.56 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 3fwk s ALA 22 Cb -0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3fwk s ALA 22 CO 0.19 0.03 1.18 -1.21 0.00 0.00 0.00 175.76 175.95 3fwk s GLU 23 N -1.35 3.07 0.54 0.00 2.02 -1.26 -4.86 118.70 116.86 3fwk s GLU 23 Ca -0.07 1.75 0.35 0.00 0.02 0.00 0.00 54.97 57.02 3fwk s GLU 23 Cb -0.09 -1.95 1.60 0.00 0.10 0.00 0.00 34.13 33.79 3fwk s GLU 23 CO 0.01 -1.11 2.05 0.66 0.02 0.00 0.00 175.26 176.88 3fwk h SER 24 N 0.93 0.00 -0.52 -0.19 4.64 -2.01 -1.53 113.55 114.87 3fwk h SER 24 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fwk h SER 24 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3fwk h SER 24 CO 0.55 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.61 3fwk n ASP 25 N -2.97 5.31 -4.94 4.97 5.75 -1.26 -4.79 116.55 118.61 3fwk n ASP 25 Ca -0.00 -2.90 -0.24 0.00 -0.01 0.00 0.00 54.79 51.63 3fwk n ASP 25 Cb 0.23 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.65 3fwk n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fwk s SER 26 N -1.02 6.31 0.24 -1.12 1.04 -0.58 -5.00 113.70 113.58 3fwk s SER 26 Ca 0.52 0.42 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 3fwk s SER 26 Cb 0.39 -2.02 0.25 0.00 0.10 0.00 0.00 66.02 64.75 3fwk s SER 26 CO 0.15 -0.25 1.84 0.40 0.98 0.00 0.00 173.24 176.36 3fwk h ILE 27 N 0.87 1.25 -0.28 -1.02 2.04 -1.94 -2.05 117.51 116.38 3fwk h ILE 27 Ca -0.50 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3fwk h ILE 27 Cb 1.22 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3fwk h ILE 27 CO 0.62 0.30 0.16 0.40 0.00 0.00 0.00 178.15 179.63 3fwk h ILE 28 N 1.15 1.11 -0.82 -0.67 2.04 -1.94 0.20 117.51 118.58 3fwk h ILE 28 Ca 0.28 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3fwk h ILE 28 Cb 0.10 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3fwk h ILE 28 CO -0.04 0.10 0.38 0.00 0.00 0.00 0.00 178.15 178.59 3fwk h ALA 29 N 1.05 1.11 -0.78 1.87 0.00 -1.73 0.36 119.26 121.15 3fwk h ALA 29 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3fwk h ALA 29 Cb 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3fwk h ALA 29 CO -0.02 0.66 0.42 0.37 0.00 0.00 0.00 179.25 180.68 3fwk h GLN 30 N 1.18 1.09 -0.50 0.00 4.15 -0.99 -1.40 115.11 118.64 3fwk h GLN 30 Ca 0.28 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 3fwk h GLN 30 Cb 0.14 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 3fwk h GLN 30 CO -0.03 0.80 -0.03 1.15 -1.93 0.00 0.00 178.83 178.80 3fwk h THR 31 N 1.10 1.27 -0.46 2.39 2.02 -0.28 -1.14 112.91 117.80 3fwk h THR 31 Ca 0.28 -1.13 0.06 0.00 0.77 0.00 0.00 66.41 66.39 3fwk h THR 31 Cb 0.04 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 3fwk h THR 31 CO -0.04 0.39 0.18 1.56 0.37 0.00 0.00 175.52 177.98 3fwk h GLN 32 N 0.77 0.35 -0.97 6.66 4.20 -0.50 0.58 115.11 126.20 3fwk h GLN 32 Ca 0.14 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3fwk h GLN 32 Cb 0.56 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 3fwk h GLN 32 CO 0.03 0.23 0.63 0.00 -0.67 0.00 0.00 178.83 179.05 3fwk h ARG 33 N 0.36 1.21 -0.53 1.46 3.08 -1.03 -1.25 114.38 117.68 3fwk h ARG 33 Ca 0.21 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3fwk h ARG 33 Cb 0.19 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3fwk h ARG 33 CO -0.20 0.80 -0.04 0.00 -1.07 0.00 0.00 179.97 179.46 3fwk h ALA 34 N 1.38 0.94 -0.40 0.04 0.00 -0.49 -1.60 119.26 119.13 3fwk h ALA 34 Ca 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fwk h ALA 34 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3fwk h ALA 34 CO -0.11 0.63 0.24 0.82 0.00 0.00 0.00 179.25 180.84 3fwk h ILE 35 N 0.85 1.13 -0.95 0.00 2.04 -0.53 -1.03 117.51 119.02 3fwk h ILE 35 Ca 0.15 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3fwk h ILE 35 Cb 0.55 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3fwk h ILE 35 CO 0.03 0.13 0.58 0.78 0.00 0.00 0.00 178.15 179.67 3fwk h ASN 36 N 0.53 1.14 -0.41 1.72 2.35 -0.90 0.83 115.58 120.83 3fwk h ASN 36 Ca 0.14 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3fwk h ASN 36 Cb -0.00 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3fwk h ASN 36 CO -0.03 0.87 0.10 0.74 -1.65 0.00 0.00 177.43 177.46 3fwk h THR 37 N 1.31 1.23 -0.50 2.81 2.02 -1.05 -1.69 112.91 117.03 3fwk h THR 37 Ca 0.34 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.75 3fwk h THR 37 Cb -0.07 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3fwk h THR 37 CO -0.07 0.27 0.33 0.74 0.37 0.00 0.00 175.52 177.17 3fwk h THR 38 N 0.53 1.12 -0.81 3.16 2.02 -0.69 -1.55 112.91 116.68 3fwk h THR 38 Ca 0.13 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3fwk h THR 38 Cb 0.31 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 3fwk h THR 38 CO 0.00 0.12 0.53 0.11 0.37 0.00 0.00 175.52 176.65 3fwk h LYS 39 N 0.67 1.01 -0.61 6.66 1.57 -0.73 -1.60 116.57 123.54 3fwk h LYS 39 Ca 0.19 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3fwk h LYS 39 Cb -0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 3fwk h LYS 39 CO -0.05 0.67 0.09 0.77 -0.57 0.00 0.00 179.45 180.36 3fwk h SER 40 N 1.04 0.99 -0.41 0.86 0.02 -0.91 0.18 113.55 115.32 3fwk h SER 40 Ca 0.32 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3fwk h SER 40 Cb -0.03 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 3fwk h SER 40 CO -0.10 1.00 0.22 0.40 -1.14 0.00 0.00 176.83 177.22 3fwk h ILE 41 N 0.93 1.00 0.08 3.27 2.04 -0.90 0.23 117.51 124.17 3fwk h ILE 41 Ca 0.18 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3fwk h ILE 41 Cb 0.45 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3fwk h ILE 41 CO 0.01 0.08 -0.04 -0.07 0.00 0.00 0.00 178.15 178.14 3fwk h LEU 42 N 0.45 -0.09 -0.20 1.44 3.38 -1.01 -1.22 115.31 118.05 3fwk h LEU 42 Ca 0.17 -0.51 -0.22 0.00 0.09 0.00 0.00 57.88 57.42 3fwk h LEU 42 Cb 0.05 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3fwk h LEU 42 CO -0.10 0.53 -0.75 0.40 0.09 0.00 0.00 178.44 178.61 3fwk h ILE 43 N -0.78 1.29 0.08 1.22 2.04 -0.68 -0.58 117.51 120.10 3fwk h ILE 43 Ca -0.01 -1.96 -0.36 0.00 1.00 0.00 0.00 64.86 63.53 3fwk h ILE 43 Cb 0.59 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 3fwk h ILE 43 CO 0.02 0.62 -2.05 0.59 0.00 0.00 0.00 178.15 177.33 3fwk n ASN 44 N -3.93 1.80 -0.01 1.72 3.02 0.04 -4.40 115.26 113.50 3fwk n ASN 44 Ca -0.07 0.18 0.09 0.00 -0.03 0.00 0.00 54.58 54.75 3fwk n ASN 44 Cb 0.73 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 39.18 3fwk n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fwk n GLU 45 N -3.34 0.60 -0.02 3.52 1.02 -0.77 -4.68 120.64 116.97 3fwk n GLU 45 Ca -0.32 -0.17 -0.04 0.00 -0.02 0.00 0.00 57.16 56.61 3fwk n GLU 45 Cb 1.04 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.99 3fwk n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3fwk n THR 46 N -2.19 0.97 0.11 2.62 -1.04 -0.53 -4.59 114.28 109.64 3fwk n THR 46 Ca -0.04 0.26 0.04 0.00 -2.04 0.00 0.00 64.05 62.28 3fwk n THR 46 Cb 0.52 -1.82 0.47 0.00 -1.82 0.00 0.00 70.33 67.69 3fwk n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3fwk h PHE 47 N -0.41 0.28 0.00 -1.42 0.04 -1.28 -0.07 116.94 114.08 3fwk h PHE 47 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3fwk h PHE 47 Cb 0.41 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3fwk h PHE 47 CO -0.18 0.25 0.00 -1.35 -0.60 0.00 0.00 178.31 176.44 3fwk h PRO 48 N 0.29 0.00 0.01 1.51 0.11 -1.82 -3.28 132.00 128.82 3fwk h PRO 48 Ca 0.07 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.79 3fwk h PRO 48 Cb 0.11 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.15 3fwk h PRO 48 CO -0.00 0.00 -2.46 1.63 -0.21 0.00 0.00 178.00 176.95 3fwk n LYS 49 N -3.04 0.65 -4.57 1.05 5.02 -0.16 -4.97 118.16 112.15 3fwk n LYS 49 Ca -0.01 0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 56.21 3fwk n LYS 49 Cb 0.20 -1.53 -0.16 0.00 -0.02 0.00 0.00 35.03 33.52 3fwk n LYS 49 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3fwk s TRP 50 N -2.52 1.35 -0.09 2.13 0.51 -0.50 -5.12 118.94 114.70 3fwk s TRP 50 Ca -0.35 -0.43 -0.30 0.00 -2.12 0.00 0.00 56.10 52.90 3fwk s TRP 50 Cb 0.09 -0.97 -0.03 0.00 -0.81 0.00 0.00 33.47 31.76 3fwk s TRP 50 CO 0.60 -0.20 1.23 0.45 -0.51 0.00 0.00 176.95 178.52 3fwk s SER 51 N 0.41 7.00 0.00 2.95 0.15 -1.26 -4.23 113.70 118.72 3fwk s SER 51 Ca -0.09 1.78 0.31 0.00 0.70 0.00 0.00 55.95 58.65 3fwk s SER 51 Cb -0.13 -2.55 1.63 0.00 -1.71 0.00 0.00 66.02 63.26 3fwk s SER 51 CO 0.02 -0.66 2.08 -0.81 1.20 0.00 0.00 173.24 175.07 3fwk n PRO 52 N 5.75 1.03 -0.07 5.44 -0.04 -1.26 -2.71 135.00 143.15 3fwk n PRO 52 Ca 0.12 -0.21 -0.03 0.00 -0.04 0.00 0.00 63.50 63.34 3fwk n PRO 52 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 3fwk n PRO 52 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3fwk n LEU 53 N -0.80 0.02 -0.70 1.53 4.77 -1.26 -4.62 117.00 115.94 3fwk n LEU 53 Ca 0.21 0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3fwk n LEU 53 Cb 0.19 0.34 0.13 0.00 -2.33 0.00 0.00 43.42 41.75 3fwk n LEU 53 CO 0.19 0.34 0.58 -0.46 -1.33 0.00 0.00 177.39 176.71 3fwk n ASN 54 N -2.60 2.72 0.00 -1.43 6.94 -1.26 -4.76 115.26 114.87 3fwk n ASN 54 Ca -0.24 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 3fwk n ASN 54 Cb 0.97 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 3fwk n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3fwk n GLY 55 N 0.78 0.67 0.27 4.83 0.00 -1.26 -4.96 105.19 105.52 3fwk n GLY 55 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3fwk n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fwk h GLU 56 N 4.51 0.36 -5.45 1.61 5.08 -1.74 -3.33 114.58 115.63 3fwk h GLU 56 Ca 0.00 -0.06 -0.66 0.00 -1.00 0.00 0.00 59.36 57.65 3fwk h GLU 56 Cb 0.00 -0.06 -0.25 0.00 0.50 0.00 0.00 28.75 28.94 3fwk h GLU 56 CO 0.00 0.37 -0.74 0.42 -1.00 0.00 0.00 179.01 178.06 3fwk s ILE 57 N -5.01 3.25 0.14 3.13 1.01 -1.10 -0.13 121.20 122.49 3fwk s ILE 57 Ca -0.07 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3fwk s ILE 57 Cb 0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3fwk s ILE 57 CO 0.73 0.53 -0.07 -0.55 0.00 0.00 0.00 174.94 175.58 3fwk s SER 58 N 0.19 4.48 -0.22 3.58 0.15 -0.61 -4.71 113.70 116.57 3fwk s SER 58 Ca -0.07 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 3fwk s SER 58 Cb -0.15 -0.87 -0.02 0.00 -1.71 0.00 0.00 66.02 63.27 3fwk s SER 58 CO 0.05 0.14 0.02 0.12 1.20 0.00 0.00 173.24 174.76 3fwk s PHE 59 N -1.47 3.04 -0.35 3.44 5.36 -0.41 -0.89 117.98 126.70 3fwk s PHE 59 Ca 0.24 -0.55 -0.25 0.00 -0.96 0.00 0.00 56.93 55.41 3fwk s PHE 59 Cb -0.10 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 3fwk s PHE 59 CO 0.16 -0.35 0.85 0.45 -1.46 0.00 0.00 175.22 174.86 3fwk s SER 60 N 1.34 6.65 -0.11 6.13 0.15 0.31 -0.58 113.70 127.59 3fwk s SER 60 Ca 0.04 0.55 0.01 0.00 0.70 0.00 0.00 55.95 57.25 3fwk s SER 60 Cb -0.15 -2.43 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3fwk s SER 60 CO 0.01 -0.76 -0.12 -0.47 1.20 0.00 0.00 173.24 173.11 3fwk s TYR 61 N 3.23 1.74 -0.03 3.44 5.04 0.04 -4.41 117.35 126.40 3fwk s TYR 61 Ca 0.35 -0.85 0.05 0.00 -2.44 0.00 0.00 57.07 54.18 3fwk s TYR 61 Cb -0.13 -1.32 0.07 0.00 0.35 0.00 0.00 41.96 40.93 3fwk s TYR 61 CO 0.16 -0.49 1.03 0.27 -1.34 0.00 0.00 175.55 175.18 3fwk n ASN 62 N 4.52 2.04 0.00 4.32 0.23 -1.26 -4.18 115.26 120.93 3fwk n ASN 62 Ca -0.17 -2.24 0.00 0.00 -0.53 0.00 0.00 54.58 51.64 3fwk n ASN 62 Cb 0.51 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 3fwk n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fwk n GLY 63 N -0.71 2.54 3.86 4.83 0.00 -1.26 -4.96 105.19 109.48 3fwk n GLY 63 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3fwk n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fwk s GLY 64 N -1.99 1.59 0.35 -0.02 0.00 -1.26 -4.60 107.32 101.38 3fwk s GLY 64 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3fwk s GLY 64 CO 0.00 -0.09 1.98 0.07 0.00 0.00 0.00 173.10 175.05 3fwk h LYS 65 N -1.20 0.82 -0.08 2.90 2.10 -1.97 0.38 116.57 119.51 3fwk h LYS 65 Ca -0.48 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 3fwk h LYS 65 Cb 1.33 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 3fwk h LYS 65 CO 0.65 0.54 -0.06 -0.44 -2.00 0.00 0.00 179.45 178.14 3fwk h ASP 66 N 0.84 0.19 -0.65 7.07 3.32 -1.93 -1.08 116.42 124.17 3fwk h ASP 66 Ca 0.29 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3fwk h ASP 66 Cb 0.09 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3fwk h ASP 66 CO -0.08 0.61 0.38 0.00 -1.72 0.00 0.00 179.24 178.42 3fwk h GLN 68 N 0.93 0.35 -0.37 0.00 4.15 -0.80 0.89 115.11 120.25 3fwk h GLN 68 Ca 0.24 -0.12 0.06 0.00 0.77 0.00 0.00 58.65 59.60 3fwk h GLN 68 Cb 0.00 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 3fwk h GLN 68 CO -0.04 0.57 0.08 0.28 -1.93 0.00 0.00 178.83 177.78 3fwk h VAL 69 N 0.09 0.82 -0.60 2.39 2.07 -1.02 -1.18 116.25 118.82 3fwk h VAL 69 Ca 0.05 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3fwk h VAL 69 Cb 0.42 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3fwk h VAL 69 CO 0.01 0.04 0.19 0.25 0.02 0.00 0.00 177.57 178.08 3fwk h LEU 70 N 0.20 0.84 -0.49 2.57 5.85 -1.02 -1.30 115.31 121.95 3fwk h LEU 70 Ca 0.18 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3fwk h LEU 70 Cb 0.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3fwk h LEU 70 CO -0.23 0.79 0.17 0.25 -0.34 0.00 0.00 178.44 179.08 3fwk h LEU 71 N 0.88 0.70 -0.58 2.25 5.85 -0.32 0.24 115.31 124.33 3fwk h LEU 71 Ca 0.20 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3fwk h LEU 71 Cb 0.26 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3fwk h LEU 71 CO -0.01 0.71 0.35 -0.07 -0.34 0.00 0.00 178.44 179.08 3fwk h LEU 72 N 0.66 0.55 -0.78 2.25 3.38 -0.83 -0.06 115.31 120.48 3fwk h LEU 72 Ca 0.16 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3fwk h LEU 72 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fwk h LEU 72 CO -0.01 0.38 -0.18 -0.07 0.09 0.00 0.00 178.44 178.66 3fwk h LEU 73 N 0.68 0.73 -0.27 1.67 3.38 -0.91 -1.09 115.31 119.50 3fwk h LEU 73 Ca 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3fwk h LEU 73 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3fwk h LEU 73 CO -0.11 0.91 0.07 0.22 0.09 0.00 0.00 178.44 179.62 3fwk h TYR 74 N 0.65 0.45 -0.75 1.13 3.20 -0.19 -0.76 116.97 120.69 3fwk h TYR 74 Ca 0.10 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3fwk h TYR 74 Cb 0.66 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3fwk h TYR 74 CO 0.03 0.50 0.49 -0.07 -1.64 0.00 0.00 178.16 177.48 3fwk h LEU 75 N 0.26 0.84 -0.72 2.82 3.38 -0.93 -0.03 115.31 120.92 3fwk h LEU 75 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fwk h LEU 75 Cb 0.28 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3fwk h LEU 75 CO 0.00 0.60 0.47 -1.28 0.09 0.00 0.00 178.44 178.33 3fwk h SER 76 N 1.00 0.81 0.17 -0.43 0.87 -0.98 -1.94 113.55 113.05 3fwk h SER 76 Ca 0.28 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.71 3fwk h SER 76 Cb -0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3fwk h SER 76 CO -0.07 0.58 -0.42 0.00 -0.53 0.00 0.00 176.83 176.38 3fwk h LEU 78 N 0.26 0.50 -0.11 0.00 3.38 -0.63 0.66 115.31 119.38 3fwk h LEU 78 Ca 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fwk h LEU 78 Cb 0.85 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fwk h LEU 78 CO 0.07 0.41 0.06 -0.25 0.09 0.00 0.00 178.44 178.82 3fwk h TRP 79 N 0.55 0.14 -0.76 1.13 2.91 -1.03 -1.59 115.95 117.30 3fwk h TRP 79 Ca 0.15 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 3fwk h TRP 79 Cb -0.00 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.57 3fwk h TRP 79 CO -0.03 0.16 0.47 1.49 -1.03 0.00 0.00 178.44 179.49 3fwk h GLU 80 N 0.09 1.02 -0.24 2.65 4.81 -0.85 0.15 114.58 122.21 3fwk h GLU 80 Ca 0.04 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3fwk h GLU 80 Cb 0.06 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3fwk h GLU 80 CO -0.01 0.71 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.91 3fwk h TYR 81 N 1.03 0.63 0.00 0.92 3.20 -0.76 -2.28 116.97 119.71 3fwk h TYR 81 Ca 0.27 -0.17 -0.24 0.00 3.14 0.00 0.00 58.73 61.74 3fwk h TYR 81 Cb -0.06 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 3fwk h TYR 81 CO -0.01 0.82 -1.58 0.66 -1.64 0.00 0.00 178.16 176.41 3fwk n TYR 82 N -4.45 0.99 -0.08 -3.82 4.01 -0.61 -4.63 117.16 108.57 3fwk n TYR 82 Ca -0.04 0.35 -0.18 0.00 -0.16 0.00 0.00 57.90 57.87 3fwk n TYR 82 Cb 0.37 -1.14 -0.06 0.00 -0.31 0.00 0.00 39.34 38.20 3fwk n TYR 82 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3fwk n ILE 83 N -2.98 0.93 0.70 -0.72 2.08 0.51 -5.09 119.36 114.79 3fwk n ILE 83 Ca -0.14 -0.24 0.13 0.00 0.56 0.00 0.00 62.75 63.06 3fwk n ILE 83 Cb 0.96 -1.68 0.44 0.00 -0.75 0.00 0.00 39.64 38.61 3fwk n ILE 83 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3fwk n VAL 84 N -3.70 0.48 0.00 1.39 0.31 -0.86 -5.03 118.33 110.92 3fwk n VAL 84 Ca -0.33 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 3fwk n VAL 84 Cb 0.74 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3fwk n VAL 84 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3fwk n LYS 102 N -2.12 0.00 -3.64 5.55 3.00 -1.26 -5.04 118.16 114.65 3fwk n LYS 102 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.08 3fwk n LYS 102 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.32 3fwk n LYS 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3fwk s LEU 103 N 0.00 2.45 0.02 3.14 0.20 -1.26 -4.84 118.68 118.39 3fwk s LEU 103 Ca 0.00 -2.77 -0.33 0.00 0.69 0.00 0.00 54.13 51.72 3fwk s LEU 103 Cb 0.00 -0.90 -0.12 0.00 -0.43 0.00 0.00 46.19 44.74 3fwk s LEU 103 CO 0.00 -0.24 1.80 -2.65 -0.29 0.00 0.00 176.35 174.97 3fwk n PRO 104 N 3.33 2.33 -4.34 0.98 -0.02 -1.26 -1.40 135.00 134.62 3fwk n PRO 104 Ca 0.14 0.85 -0.19 0.00 -2.02 0.00 0.00 63.50 62.28 3fwk n PRO 104 Cb 0.37 -2.69 -0.14 0.00 -0.02 0.00 0.00 33.50 31.02 3fwk n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3fwk s THR 105 N 3.04 0.86 -0.05 3.45 2.01 -0.23 -1.29 115.64 123.42 3fwk s THR 105 Ca 0.87 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.18 3fwk s THR 105 Cb -0.63 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3fwk s THR 105 CO 0.45 0.06 -0.13 0.54 -0.69 0.00 0.00 174.62 174.84 3fwk s VAL 106 N -0.61 1.16 -0.13 3.82 0.11 0.26 -1.12 120.40 123.89 3fwk s VAL 106 Ca 0.01 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 3fwk s VAL 106 Cb -0.06 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3fwk s VAL 106 CO 0.00 0.35 -0.19 0.12 -3.33 0.00 0.00 175.10 172.05 3fwk s PHE 107 N 0.34 2.41 -0.59 1.54 5.36 0.14 -0.78 117.98 126.40 3fwk s PHE 107 Ca -0.08 -1.21 -0.23 0.00 -0.96 0.00 0.00 56.93 54.46 3fwk s PHE 107 Cb -0.13 -1.68 0.06 0.00 -0.34 0.00 0.00 43.02 40.94 3fwk s PHE 107 CO 0.02 -0.57 0.90 0.42 -1.46 0.00 0.00 175.22 174.53 3fwk s ILE 108 N 0.91 4.44 0.42 3.12 -1.09 -1.26 -1.35 121.20 126.39 3fwk s ILE 108 Ca -0.06 -0.11 -0.10 0.00 -2.23 0.00 0.00 60.65 58.14 3fwk s ILE 108 Cb -0.15 -4.56 -0.06 0.00 -1.58 0.00 0.00 42.46 36.11 3fwk s ILE 108 CO -0.02 -1.21 0.79 -0.62 -1.23 0.00 0.00 174.94 172.65 3fwk s ASP 109 N 3.17 6.49 0.04 3.58 2.15 -1.26 -4.94 116.67 125.91 3fwk s ASP 109 Ca 0.24 1.14 -0.00 0.00 0.43 0.00 0.00 52.55 54.36 3fwk s ASP 109 Cb -0.15 -2.33 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 3fwk s ASP 109 CO 0.14 -0.44 -0.04 -1.00 -0.17 0.00 0.00 175.17 173.67 3fwk s HIS 110 N -2.44 0.48 -1.11 -5.34 3.76 -1.26 -4.40 115.29 104.97 3fwk s HIS 110 Ca 0.51 -0.86 0.22 0.00 -0.15 0.00 0.00 55.06 54.78 3fwk s HIS 110 Cb -0.10 -0.34 0.97 0.00 1.11 0.00 0.00 32.58 34.22 3fwk s HIS 110 CO 0.33 -0.28 1.70 -0.40 -0.85 0.00 0.00 174.74 175.24 3fwk n ASP 111 N 0.64 0.00 -0.64 1.40 5.68 -1.22 -2.87 116.55 119.52 3fwk n ASP 111 Ca -0.17 0.36 0.05 0.00 -0.50 0.00 0.00 54.79 54.52 3fwk n ASP 111 Cb 0.59 -0.44 0.20 0.00 -1.14 0.00 0.00 41.12 40.32 3fwk n ASP 111 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fwk n ASP 112 N -1.44 2.38 -4.77 -1.12 5.75 -1.26 -5.02 116.55 111.06 3fwk n ASP 112 Ca 0.07 -3.53 -0.38 0.00 -0.01 0.00 0.00 54.79 50.94 3fwk n ASP 112 Cb 0.23 -0.53 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 3fwk n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3fwk s THR 113 N -3.09 3.80 0.32 2.12 2.01 -1.14 -0.77 115.64 118.90 3fwk s THR 113 Ca 0.39 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 3fwk s THR 113 Cb 0.35 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 3fwk s THR 113 CO -0.00 0.16 1.54 0.49 -0.69 0.00 0.00 174.62 176.12 3fwk n PHE 114 N 0.50 2.83 -0.35 4.92 3.72 -1.26 -4.81 117.46 123.01 3fwk n PHE 114 Ca 0.02 0.34 0.01 0.00 -0.05 0.00 0.00 57.45 57.77 3fwk n PHE 114 Cb 0.48 -2.56 0.15 0.00 -0.94 0.00 0.00 39.48 36.61 3fwk n PHE 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3fwk h LYS 115 N 4.09 1.12 -0.61 -1.08 1.63 -1.99 -1.47 116.57 118.26 3fwk h LYS 115 Ca -0.48 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.21 3fwk h LYS 115 Cb 1.24 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.58 3fwk h LYS 115 CO 0.74 0.74 0.22 1.15 -3.45 0.00 0.00 179.45 178.85 3fwk h THR 116 N 1.16 1.22 -0.34 1.00 2.02 -1.92 0.04 112.91 116.08 3fwk h THR 116 Ca 0.40 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3fwk h THR 116 Cb 0.09 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3fwk h THR 116 CO -0.15 0.29 -0.01 0.25 0.37 0.00 0.00 175.52 176.27 3fwk h LEU 117 N 0.89 0.60 -0.47 2.58 5.85 -1.71 -0.21 115.31 122.85 3fwk h LEU 117 Ca 0.20 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.69 3fwk h LEU 117 Cb 0.22 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3fwk h LEU 117 CO -0.01 0.77 0.10 -0.33 -0.34 0.00 0.00 178.44 178.62 3fwk h GLU 118 N 0.42 0.23 -0.61 1.25 4.39 -0.80 -0.16 114.58 119.30 3fwk h GLU 118 Ca 0.10 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3fwk h GLU 118 Cb 0.47 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3fwk h GLU 118 CO 0.02 0.15 0.37 -0.91 -1.16 0.00 0.00 179.01 177.48 3fwk h ASN 119 N 0.23 0.59 -0.39 1.42 2.35 -0.84 -2.20 115.58 116.75 3fwk h ASN 119 Ca 0.23 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 3fwk h ASN 119 Cb 0.30 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3fwk h ASN 119 CO -0.30 0.41 -0.14 0.15 -1.65 0.00 0.00 177.43 175.90 3fwk h PHE 120 N 0.72 0.95 -0.67 1.19 3.57 -0.35 -0.24 116.94 122.11 3fwk h PHE 120 Ca 0.25 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3fwk h PHE 120 Cb 0.04 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3fwk h PHE 120 CO -0.06 0.93 0.35 0.82 -2.23 0.00 0.00 178.31 178.12 3fwk h ILE 121 N 0.76 1.22 -0.45 1.41 2.04 -0.79 0.37 117.51 122.06 3fwk h ILE 121 Ca 0.12 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3fwk h ILE 121 Cb 0.65 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3fwk h ILE 121 CO 0.05 0.25 0.07 -0.33 0.00 0.00 0.00 178.15 178.19 3fwk h GLU 122 N 0.93 0.75 -0.60 2.37 5.08 -1.02 -0.74 114.58 121.35 3fwk h GLU 122 Ca 0.23 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3fwk h GLU 122 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3fwk h GLU 122 CO -0.03 0.77 0.17 0.93 -1.00 0.00 0.00 179.01 179.85 3fwk h GLU 123 N 0.61 0.94 -0.00 2.33 5.08 -0.79 -2.11 114.58 120.64 3fwk h GLU 123 Ca 0.14 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3fwk h GLU 123 Cb 0.38 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3fwk h GLU 123 CO 0.01 0.85 -0.72 1.79 -1.00 0.00 0.00 179.01 179.94 3fwk h THR 124 N 0.85 1.51 -0.99 1.13 1.35 -0.85 0.01 112.91 115.92 3fwk h THR 124 Ca 0.19 -2.44 0.01 0.00 -0.55 0.00 0.00 66.41 63.62 3fwk h THR 124 Cb 0.31 2.32 -0.05 0.00 -1.73 0.00 0.00 68.15 69.00 3fwk h THR 124 CO -0.00 0.70 0.64 0.28 -0.25 0.00 0.00 175.52 176.89 3fwk h SER 125 N 0.01 1.15 -0.26 5.36 0.02 -0.81 -0.91 113.55 118.11 3fwk h SER 125 Ca -0.01 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 3fwk h SER 125 Cb 1.27 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3fwk h SER 125 CO 0.09 0.84 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.16 3fwk h LEU 126 N 1.35 0.80 -0.75 5.07 3.38 -1.14 -0.65 115.31 123.36 3fwk h LEU 126 Ca 0.36 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3fwk h LEU 126 Cb -0.14 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3fwk h LEU 126 CO -0.08 1.16 0.44 -0.09 0.09 0.00 0.00 178.44 179.97 3fwk h ARG 127 N 0.47 1.04 -0.60 1.13 2.43 -0.54 -2.98 114.38 115.32 3fwk h ARG 127 Ca 0.02 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3fwk h ARG 127 Cb 0.99 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3fwk h ARG 127 CO 0.09 0.75 0.00 0.66 -1.51 0.00 0.00 179.97 179.96 3fwk n TYR 128 N -4.48 0.80 -3.67 2.20 4.01 -0.39 -1.12 117.16 114.51 3fwk n TYR 128 Ca 0.07 -0.48 -0.22 0.00 -0.16 0.00 0.00 57.90 57.12 3fwk n TYR 128 Cb 0.07 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 3fwk n TYR 128 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3fwk n SER 129 N 1.34 -1.89 -4.84 7.72 7.64 -0.95 -4.60 113.62 118.03 3fwk n SER 129 Ca 0.21 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.99 3fwk n SER 129 Cb 0.57 -4.26 -0.02 0.00 -1.01 0.00 0.00 64.21 59.49 3fwk n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fwk s LEU 130 N -6.71 3.58 -0.56 -3.43 1.43 -0.29 -4.53 118.68 108.16 3fwk s LEU 130 Ca 0.10 1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 3fwk s LEU 130 Cb -0.05 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 41.81 3fwk s LEU 130 CO 0.80 -0.69 0.43 -0.44 0.23 0.00 0.00 176.35 176.67 3fwk s SER 131 N -3.10 5.74 -0.11 2.29 0.01 -0.49 -4.84 113.70 113.19 3fwk s SER 131 Ca 0.59 -2.26 -0.21 0.00 1.31 0.00 0.00 55.95 55.38 3fwk s SER 131 Cb -0.11 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 3fwk s SER 131 CO 0.34 -0.59 0.63 -0.22 0.41 0.00 0.00 173.24 173.80 3fwk s LEU 132 N 0.83 4.26 -0.13 2.44 2.96 -1.26 -1.07 118.68 126.71 3fwk s LEU 132 Ca 0.10 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 3fwk s LEU 132 Cb -0.22 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.50 3fwk s LEU 132 CO -0.03 -0.13 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.35 3fwk s TYR 133 N 1.06 2.99 -0.07 5.38 5.04 -0.27 -4.97 117.35 126.50 3fwk s TYR 133 Ca 0.32 -0.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.73 3fwk s TYR 133 Cb -0.17 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.24 3fwk s TYR 133 CO 0.14 0.03 -0.22 -1.21 -1.34 0.00 0.00 175.55 172.95 3fwk s GLU 134 N 0.11 2.72 1.07 4.97 2.02 -1.26 -0.69 118.70 127.64 3fwk s GLU 134 Ca -0.02 -0.85 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 3fwk s GLU 134 Cb -0.14 -2.27 0.23 0.00 0.10 0.00 0.00 34.13 32.05 3fwk s GLU 134 CO 0.03 0.37 1.06 -1.54 0.02 0.00 0.00 175.26 175.20 3fwk s SER 135 N -0.11 1.91 -0.39 -0.19 1.04 -0.46 -4.95 113.70 110.55 3fwk s SER 135 Ca -0.04 1.41 -0.23 0.00 0.48 0.00 0.00 55.95 57.57 3fwk s SER 135 Cb -0.14 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.87 3fwk s SER 135 CO 0.04 -3.61 0.76 -0.62 0.98 0.00 0.00 173.24 170.79 3fwk s ASP 136 N -2.98 6.49 0.58 7.02 -1.08 -1.26 -4.25 116.67 121.19 3fwk s ASP 136 Ca 0.67 0.17 0.36 0.00 -0.52 0.00 0.00 52.55 53.23 3fwk s ASP 136 Cb -0.22 -2.38 1.73 0.00 -1.46 0.00 0.00 42.92 40.60 3fwk s ASP 136 CO 0.61 -0.77 2.13 0.08 0.52 0.00 0.00 175.17 177.74 3fwk h ARG 137 N 8.63 0.00 -0.36 4.34 -0.00 -1.91 -2.14 114.38 122.95 3fwk h ARG 137 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.73 3fwk h ARG 137 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 3fwk h ARG 137 CO 0.91 0.02 0.00 -0.25 -0.00 0.00 0.00 179.97 180.66 3fwk n ASP 138 N -3.17 2.37 -4.69 0.08 8.00 -1.26 -3.45 116.55 114.42 3fwk n ASP 138 Ca -0.01 -1.91 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 3fwk n ASP 138 Cb 0.22 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 3fwk n ASP 138 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3fwk s LYS 139 N -1.53 4.00 -0.61 -1.24 1.02 -0.81 -5.06 119.74 115.52 3fwk s LYS 139 Ca 0.33 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.78 3fwk s LYS 139 Cb 0.18 -3.28 0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3fwk s LYS 139 CO 0.24 0.33 1.07 0.00 -0.92 0.00 0.00 175.35 176.07 3fwk s GLU 141 N 4.54 1.06 0.74 0.00 -1.05 -1.26 -5.14 118.70 117.59 3fwk s GLU 141 Ca 0.33 -0.48 -0.11 0.00 -0.15 0.00 0.00 54.97 54.56 3fwk s GLU 141 Cb -0.11 0.47 0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3fwk s GLU 141 CO 0.19 -0.40 1.12 0.95 0.95 0.00 0.00 175.26 178.06 3fwk s THR 142 N -3.17 2.84 0.22 1.83 -4.23 -1.26 -4.87 115.64 107.01 3fwk s THR 142 Ca -0.01 0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 60.64 3fwk s THR 142 Cb 0.00 -3.26 0.17 0.00 1.34 0.00 0.00 72.50 70.74 3fwk s THR 142 CO -0.07 -0.34 1.87 -0.03 -0.54 0.00 0.00 174.62 175.50 3fwk h MET 143 N -0.79 0.93 -0.65 3.99 4.05 -2.01 0.03 114.93 120.49 3fwk h MET 143 Ca -0.45 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 58.95 3fwk h MET 143 Cb 1.29 -0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.83 3fwk h MET 143 CO 0.64 0.62 0.39 0.00 0.23 0.00 0.00 176.91 178.79 3fwk h ALA 144 N 1.31 0.85 -0.54 0.39 0.00 -1.93 -0.68 119.26 118.67 3fwk h ALA 144 Ca 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3fwk h ALA 144 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fwk h ALA 144 CO -0.10 0.13 0.11 0.93 0.00 0.00 0.00 179.25 180.32 3fwk h GLU 145 N 0.76 0.87 -0.72 0.00 5.08 -1.67 -0.23 114.58 118.67 3fwk h GLU 145 Ca 0.27 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3fwk h GLU 145 Cb 0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3fwk h GLU 145 CO -0.12 0.84 0.33 0.00 -1.00 0.00 0.00 179.01 179.06 3fwk h ALA 146 N 1.00 1.23 -0.00 3.43 0.00 -0.55 -2.13 119.26 122.23 3fwk h ALA 146 Ca 0.17 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3fwk h ALA 146 Cb 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3fwk h ALA 146 CO 0.01 0.58 -0.63 0.74 0.00 0.00 0.00 179.25 179.95 3fwk h PHE 147 N 1.02 0.01 -0.60 0.00 0.04 -0.77 -1.67 116.94 114.98 3fwk h PHE 147 Ca 0.25 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 3fwk h PHE 147 Cb 0.12 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 3fwk h PHE 147 CO 0.01 0.63 0.27 1.49 -0.60 0.00 0.00 178.31 180.11 3fwk h GLU 148 N 0.01 0.87 -0.62 1.51 4.57 -0.49 -0.73 114.58 119.69 3fwk h GLU 148 Ca -0.01 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3fwk h GLU 148 Cb 1.11 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.52 3fwk h GLU 148 CO 0.08 0.72 0.23 1.15 -1.18 0.00 0.00 179.01 180.01 3fwk h THR 149 N 0.82 1.24 -0.62 0.32 2.02 -1.21 -2.27 112.91 113.21 3fwk h THR 149 Ca 0.20 -0.77 0.07 0.00 0.77 0.00 0.00 66.41 66.68 3fwk h THR 149 Cb 0.15 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3fwk h THR 149 CO -0.02 0.30 0.31 0.15 0.37 0.00 0.00 175.52 176.62 3fwk h PHE 150 N 0.88 0.56 0.00 3.16 3.57 -1.02 -2.07 116.94 122.02 3fwk h PHE 150 Ca 0.21 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3fwk h PHE 150 Cb 0.24 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3fwk h PHE 150 CO 0.01 0.24 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.93 3fwk h LEU 151 N 0.56 0.00 -1.07 0.59 -0.00 -0.82 0.11 115.31 114.68 3fwk h LEU 151 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.11 3fwk h LEU 151 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.88 3fwk h LEU 151 CO -0.21 0.33 0.01 1.56 -0.00 0.00 0.00 178.44 180.13 3fwk h GLN 152 N 0.00 0.66 -0.05 1.13 4.20 -0.81 -1.53 115.11 118.72 3fwk h GLN 152 Ca -0.00 -0.16 -0.23 0.00 0.06 0.00 0.00 58.65 58.32 3fwk h GLN 152 Cb 0.63 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.33 3fwk h GLN 152 CO 0.04 0.68 -0.89 0.28 -0.67 0.00 0.00 178.83 178.27 3fwk h VAL 153 N 0.63 1.34 -2.15 -0.54 2.07 -0.90 -3.38 116.25 113.32 3fwk h VAL 153 Ca 0.13 -2.24 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 3fwk h VAL 153 Cb 0.38 2.26 -0.41 0.00 -1.52 0.00 0.00 31.29 32.00 3fwk h VAL 153 CO 0.01 0.68 -0.72 0.49 0.02 0.00 0.00 177.57 178.06 3fwk n PHE 154 N -3.83 2.70 0.46 1.57 3.72 -0.05 -4.94 117.46 117.08 3fwk n PHE 154 Ca -0.07 -4.01 0.07 0.00 -0.05 0.00 0.00 57.45 53.39 3fwk n PHE 154 Cb 0.80 -0.51 0.31 0.00 -0.94 0.00 0.00 39.48 39.14 3fwk n PHE 154 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3fwk n PRO 155 N 0.92 0.02 0.01 -1.08 -0.04 -0.60 -1.93 135.00 132.30 3fwk n PRO 155 Ca 0.28 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 3fwk n PRO 155 Cb 0.44 -1.53 0.51 0.00 -0.04 0.00 0.00 33.50 32.88 3fwk n PRO 155 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3fwk n GLU 156 N -1.57 0.03 -1.98 0.54 0.00 -1.26 -4.87 120.64 111.53 3fwk n GLU 156 Ca 0.03 0.10 -0.42 0.00 0.00 0.00 0.00 57.16 56.88 3fwk n GLU 156 Cb 0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 31.44 30.04 3fwk n GLU 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3fwk s THR 157 N -3.02 2.80 -0.03 3.84 2.01 -0.81 -4.28 115.64 116.14 3fwk s THR 157 Ca 0.11 0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.74 3fwk s THR 157 Cb 0.15 -3.35 -0.11 0.00 0.01 0.00 0.00 72.50 69.20 3fwk s THR 157 CO 0.45 0.04 0.13 0.29 -0.69 0.00 0.00 174.62 174.84 3fwk n LYS 158 N 4.09 0.97 -3.67 4.92 4.76 0.82 -4.93 118.16 125.11 3fwk n LYS 158 Ca 0.13 -0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.37 3fwk n LYS 158 Cb 0.39 -1.19 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 3fwk n LYS 158 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fwk s ALA 159 N -2.44 -1.18 -0.05 7.82 0.00 -0.63 -1.32 121.76 123.96 3fwk s ALA 159 Ca -0.03 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3fwk s ALA 159 Cb 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3fwk s ALA 159 CO 0.32 -0.30 -0.08 0.42 0.00 0.00 0.00 175.76 176.12 3fwk s ILE 160 N -1.13 0.78 -0.06 0.00 1.01 -0.16 -1.57 121.20 120.07 3fwk s ILE 160 Ca -0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 3fwk s ILE 160 Cb -0.03 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 3fwk s ILE 160 CO 0.06 0.27 0.88 -0.69 0.00 0.00 0.00 174.94 175.46 3fwk s VAL 161 N 0.69 4.92 -0.11 2.92 1.01 -0.07 -0.86 120.40 128.90 3fwk s VAL 161 Ca -0.11 1.81 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3fwk s VAL 161 Cb -0.14 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.05 3fwk s VAL 161 CO 0.02 0.15 -0.13 -0.63 0.00 0.00 0.00 175.10 174.51 3fwk s ILE 162 N 1.23 1.35 -0.86 2.22 1.01 -0.01 -0.53 121.20 125.61 3fwk s ILE 162 Ca 0.45 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 3fwk s ILE 162 Cb -0.19 -1.26 0.07 0.00 0.01 0.00 0.00 42.46 41.09 3fwk s ILE 162 CO 0.21 0.41 1.23 -0.83 0.00 0.00 0.00 174.94 175.97 3fwk s GLY 163 N 1.15 1.37 -0.00 6.18 0.00 -1.26 -4.35 107.32 110.41 3fwk s GLY 163 Ca -0.04 -2.11 -0.02 0.00 0.00 0.00 0.00 44.72 42.55 3fwk s GLY 163 CO -0.03 2.37 0.04 -1.50 0.00 0.00 0.00 173.10 173.98 3fwk s ILE 164 N 4.36 0.06 0.23 0.90 2.07 -1.26 -4.67 121.20 122.89 3fwk s ILE 164 Ca 0.35 -0.47 0.09 0.00 -1.41 0.00 0.00 60.65 59.21 3fwk s ILE 164 Cb -0.07 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 3fwk s ILE 164 CO -0.00 -0.26 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.57 3fwk s ARG 165 N -0.80 2.13 0.52 3.50 0.52 -1.26 -3.45 118.95 120.11 3fwk s ARG 165 Ca -0.09 -1.38 0.19 0.00 -0.52 0.00 0.00 55.73 53.93 3fwk s ARG 165 Cb -0.05 -2.13 1.30 0.00 0.52 0.00 0.00 34.95 34.59 3fwk s ARG 165 CO -0.00 0.39 2.10 0.45 0.02 0.00 0.00 175.30 178.26 3fwk h HIS 166 N 2.40 0.02 0.00 -0.53 3.86 -1.33 -1.23 115.15 118.33 3fwk h HIS 166 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3fwk h HIS 166 Cb 1.23 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3fwk h HIS 166 CO 0.68 0.01 0.00 0.25 0.86 0.00 0.00 177.93 179.73 3fwk n THR 167 N -4.49 0.16 -1.62 2.45 -2.24 -1.26 -3.61 114.28 103.66 3fwk n THR 167 Ca 0.01 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.52 3fwk n THR 167 Cb 0.25 -0.58 0.05 0.00 -2.10 0.00 0.00 70.33 67.95 3fwk n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fwk s ASP 168 N -2.98 5.33 0.34 3.42 1.01 -0.47 -4.93 116.67 118.40 3fwk s ASP 168 Ca 0.14 1.69 -0.27 0.00 0.71 0.00 0.00 52.55 54.81 3fwk s ASP 168 Cb 0.18 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.47 3fwk s ASP 168 CO 0.48 -1.47 1.16 -2.65 0.21 0.00 0.00 175.17 172.90 3fwk n PRO 169 N -2.96 1.76 -1.66 8.23 -0.02 -1.26 -0.94 135.00 138.14 3fwk n PRO 169 Ca 0.08 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3fwk n PRO 169 Cb 0.53 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 3fwk n PRO 169 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3fwk n PHE 170 N 0.17 -0.13 1.00 6.00 3.72 -1.26 -4.88 117.46 122.08 3fwk n PHE 170 Ca 0.07 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.57 3fwk n PHE 170 Cb 0.35 -3.24 -0.06 0.00 -0.94 0.00 0.00 39.48 35.59 3fwk n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fwk n GLY 171 N -0.73 -0.80 0.16 1.37 0.00 -0.12 -4.58 105.19 100.50 3fwk n GLY 171 Ca -0.19 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 3fwk n GLY 171 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fwk h GLU 172 N 0.52 0.46 -2.10 1.61 4.81 -1.77 -3.31 114.58 114.80 3fwk h GLU 172 Ca 0.00 -0.16 -0.75 0.00 -0.13 0.00 0.00 59.36 58.31 3fwk h GLU 172 Cb 0.55 -0.03 -0.30 0.00 0.63 0.00 0.00 28.75 29.60 3fwk h GLU 172 CO 0.00 0.66 0.74 0.72 -0.73 0.00 0.00 179.01 180.40 3fwk n HIS 173 N -4.59 3.03 -4.30 0.92 8.25 -1.26 -4.96 115.22 112.31 3fwk n HIS 173 Ca -0.04 -2.65 -0.23 0.00 -0.26 0.00 0.00 57.72 54.55 3fwk n HIS 173 Cb 0.27 -1.03 -0.12 0.00 1.12 0.00 0.00 29.99 30.23 3fwk n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3fwk s LEU 174 N -4.09 2.37 0.19 2.41 1.43 -1.25 -5.16 118.68 114.58 3fwk s LEU 174 Ca 0.46 -0.77 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 3fwk s LEU 174 Cb 0.31 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 3fwk s LEU 174 CO -0.25 0.01 -0.07 -0.54 0.23 0.00 0.00 176.35 175.72 3fwk s LYS 175 N -2.34 1.21 0.49 1.70 -0.14 -1.26 -5.06 119.74 114.34 3fwk s LYS 175 Ca 0.11 -1.56 0.14 0.00 -1.36 0.00 0.00 55.97 53.30 3fwk s LYS 175 Cb -0.08 -0.72 1.16 0.00 -1.68 0.00 0.00 37.83 36.51 3fwk s LYS 175 CO 0.05 0.04 2.11 -1.35 -0.76 0.00 0.00 175.35 175.44 3fwk h PRO 176 N 2.63 0.16 -4.21 -1.68 0.11 -1.92 -3.39 132.00 123.70 3fwk h PRO 176 Ca -0.37 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.20 3fwk h PRO 176 Cb 1.21 -0.04 -0.37 0.00 0.11 0.00 0.00 31.00 31.91 3fwk h PRO 176 CO 0.64 0.11 -0.80 0.42 -0.21 0.00 0.00 178.00 178.15 3fwk s ILE 177 N -5.19 1.00 -0.29 4.15 -1.09 -1.26 -0.21 121.20 118.31 3fwk s ILE 177 Ca -0.06 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.98 3fwk s ILE 177 Cb 0.17 -1.02 0.12 0.00 -1.58 0.00 0.00 42.46 40.15 3fwk s ILE 177 CO 0.69 0.36 0.64 -1.58 -1.23 0.00 0.00 174.94 173.83 3fwk s GLN 178 N 1.71 0.59 0.73 2.79 0.74 -0.73 -5.00 119.66 120.50 3fwk s GLN 178 Ca 0.05 1.39 -0.15 0.00 0.05 0.00 0.00 55.36 56.69 3fwk s GLN 178 Cb -0.13 0.70 0.04 0.00 1.10 0.00 0.00 33.01 34.72 3fwk s GLN 178 CO -0.08 -0.19 1.23 0.15 -0.55 0.00 0.00 175.29 175.84 3fwk s LYS 179 N 2.62 2.11 0.91 1.67 1.02 -1.26 -0.21 119.74 126.59 3fwk s LYS 179 Ca -0.07 1.82 -0.11 0.00 0.02 0.00 0.00 55.97 57.64 3fwk s LYS 179 Cb -0.11 -1.82 0.14 0.00 -0.52 0.00 0.00 37.83 35.52 3fwk s LYS 179 CO -0.19 -1.88 1.09 0.95 -0.92 0.00 0.00 175.35 174.41 3fwk s THR 180 N -1.89 2.61 0.91 2.17 -4.23 -0.53 -4.75 115.64 109.92 3fwk s THR 180 Ca 0.76 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 3fwk s THR 180 Cb -0.31 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.13 3fwk s THR 180 CO 0.45 -0.26 1.14 0.47 -0.54 0.00 0.00 174.62 175.88 3fwk n ASP 181 N -4.00 0.36 0.28 3.99 8.00 -1.26 -4.92 116.55 118.99 3fwk n ASP 181 Ca 0.08 0.44 0.13 0.00 0.71 0.00 0.00 54.79 56.14 3fwk n ASP 181 Cb 0.54 -1.48 0.79 0.00 -0.02 0.00 0.00 41.12 40.95 3fwk n ASP 181 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fwk h ALA 182 N -1.79 1.51 -0.51 2.24 0.00 -1.96 -2.00 119.26 116.75 3fwk h ALA 182 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fwk h ALA 182 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fwk h ALA 182 CO 0.41 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.01 3fwk n ASN 183 N -3.89 2.99 -4.98 0.00 6.94 -1.26 -4.89 115.26 110.16 3fwk n ASN 183 Ca -0.03 -1.97 -0.20 0.00 -0.02 0.00 0.00 54.58 52.37 3fwk n ASN 183 Cb 0.15 -0.34 0.01 0.00 -2.36 0.00 0.00 39.78 37.24 3fwk n ASN 183 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fwk s TRP 184 N -1.33 3.05 0.81 -2.53 0.52 -0.75 -4.73 118.94 113.98 3fwk s TRP 184 Ca 0.38 -0.13 -0.14 0.00 0.02 0.00 0.00 56.10 56.23 3fwk s TRP 184 Cb 0.20 -2.22 0.05 0.00 -1.15 0.00 0.00 33.47 30.35 3fwk s TRP 184 CO 0.27 -0.26 0.96 -0.35 0.02 0.00 0.00 176.95 177.59 3fwk n PRO 185 N -1.85 0.15 -2.77 4.98 -0.04 -1.26 -4.90 135.00 129.31 3fwk n PRO 185 Ca 0.03 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 3fwk n PRO 185 Cb 0.58 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.77 3fwk n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3fwk s ASP 186 N -1.97 6.34 0.20 3.54 2.15 -1.26 -4.76 116.67 120.91 3fwk s ASP 186 Ca 0.70 -0.30 -0.08 0.00 0.43 0.00 0.00 52.55 53.30 3fwk s ASP 186 Cb -0.29 -2.47 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 3fwk s ASP 186 CO 0.54 -1.33 0.30 0.72 -0.17 0.00 0.00 175.17 175.23 3fwk s PHE 187 N 4.28 0.63 -0.12 -5.34 -0.71 -1.26 -4.92 117.98 110.54 3fwk s PHE 187 Ca 0.33 -0.95 -0.22 0.00 -1.04 0.00 0.00 56.93 55.04 3fwk s PHE 187 Cb -0.11 -0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 3fwk s PHE 187 CO 0.20 -0.78 0.67 0.71 -1.34 0.00 0.00 175.22 174.67 3fwk s TYR 188 N -4.05 3.50 0.11 3.49 2.02 -0.43 -1.45 117.35 120.54 3fwk s TYR 188 Ca 0.26 1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 57.78 3fwk s TYR 188 Cb 0.03 -2.80 -0.06 0.00 -0.40 0.00 0.00 41.96 38.74 3fwk s TYR 188 CO 0.07 -0.01 1.07 1.03 -1.57 0.00 0.00 175.55 176.14 3fwk s ARG 189 N 1.22 4.57 -0.31 -0.62 0.52 0.70 -0.98 118.95 124.06 3fwk s ARG 189 Ca 0.34 1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 57.13 3fwk s ARG 189 Cb -0.17 -3.35 0.04 0.00 0.52 0.00 0.00 34.95 31.99 3fwk s ARG 189 CO 0.14 0.01 0.04 -0.51 0.02 0.00 0.00 175.30 175.00 3fwk s LEU 190 N 0.27 3.94 -0.61 2.53 1.43 -0.04 -1.78 118.68 124.43 3fwk s LEU 190 Ca 0.51 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 3fwk s LEU 190 Cb -0.27 -1.79 0.18 0.00 0.03 0.00 0.00 46.19 44.35 3fwk s LEU 190 CO 0.31 -0.25 0.48 0.00 0.23 0.00 0.00 176.35 177.12 3fwk n GLN 191 N 4.74 1.42 -0.10 1.70 6.02 0.71 -0.83 117.38 131.04 3fwk n GLN 191 Ca -0.14 -4.10 0.10 0.00 -0.01 0.00 0.00 57.00 52.85 3fwk n GLN 191 Cb 0.45 -2.07 0.34 0.00 1.02 0.00 0.00 30.24 29.97 3fwk n GLN 191 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3fwk n PRO 192 N 2.04 1.84 -0.14 -1.09 -0.02 -1.26 -3.93 135.00 132.45 3fwk n PRO 192 Ca 0.24 -1.27 0.06 0.00 -2.02 0.00 0.00 63.50 60.50 3fwk n PRO 192 Cb 0.40 -1.40 0.13 0.00 -0.02 0.00 0.00 33.50 32.61 3fwk n PRO 192 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fwk n LEU 193 N 0.50 2.71 -0.09 2.45 7.94 -1.26 -4.42 117.00 124.84 3fwk n LEU 193 Ca 0.16 -1.79 -0.00 0.00 -1.11 0.00 0.00 56.01 53.27 3fwk n LEU 193 Cb 0.37 -0.18 0.27 0.00 0.53 0.00 0.00 43.42 44.41 3fwk n LEU 193 CO 0.13 0.65 1.05 -0.07 -1.11 0.00 0.00 177.39 178.04 3fwk h LEU 194 N 2.04 0.66 -0.21 -1.96 3.38 -1.68 -1.95 115.31 115.60 3fwk h LEU 194 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3fwk h LEU 194 Cb 0.67 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3fwk h LEU 194 CO 0.00 0.60 -0.07 0.00 0.09 0.00 0.00 178.44 179.06 3fwk n HIS 195 N -4.34 0.00 -2.40 1.13 1.44 -1.26 -1.17 115.22 108.62 3fwk n HIS 195 Ca 0.04 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.36 3fwk n HIS 195 Cb 0.16 -0.16 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3fwk n HIS 195 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3fwk s TRP 196 N -2.39 3.31 0.33 -1.40 0.52 -0.73 -5.02 118.94 113.56 3fwk s TRP 196 Ca 0.32 1.62 0.07 0.00 0.02 0.00 0.00 56.10 58.13 3fwk s TRP 196 Cb 0.20 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.18 3fwk s TRP 196 CO 0.45 -0.92 0.38 -0.80 0.02 0.00 0.00 176.95 176.08 3fwk s ASN 197 N -1.05 5.71 0.23 2.95 0.01 -1.26 -4.71 114.94 116.81 3fwk s ASN 197 Ca 0.51 -0.30 -0.07 0.00 -0.71 0.00 0.00 52.86 52.30 3fwk s ASN 197 Cb -0.30 -1.17 0.35 0.00 0.41 0.00 0.00 41.25 40.53 3fwk s ASN 197 CO 0.39 -0.37 1.77 0.25 -1.51 0.00 0.00 177.10 177.63 3fwk h LEU 198 N 1.07 0.42 -1.23 0.60 5.85 -1.97 -0.83 115.31 119.22 3fwk h LEU 198 Ca -0.46 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3fwk h LEU 198 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3fwk h LEU 198 CO 0.56 0.23 0.15 0.00 -0.34 0.00 0.00 178.44 179.04 3fwk h ALA 199 N 1.44 1.39 -0.50 1.25 0.00 -1.87 -1.93 119.26 119.05 3fwk h ALA 199 Ca 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3fwk h ALA 199 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fwk h ALA 199 CO -0.29 0.45 0.09 -0.91 0.00 0.00 0.00 179.25 178.59 3fwk h ASN 200 N 0.67 0.78 -0.07 0.00 -0.26 -1.52 -1.53 115.58 113.65 3fwk h ASN 200 Ca 0.16 -0.25 0.03 0.00 -0.56 0.00 0.00 56.30 55.67 3fwk h ASN 200 Cb 0.19 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 3fwk h ASN 200 CO -0.01 0.84 -0.11 0.40 -1.06 0.00 0.00 177.43 177.49 3fwk h ILE 201 N 0.70 0.70 -0.57 2.81 1.08 -0.83 -1.92 117.51 119.48 3fwk h ILE 201 Ca 0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3fwk h ILE 201 Cb 0.38 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3fwk h ILE 201 CO 0.01 0.00 0.20 -0.50 -0.69 0.00 0.00 178.15 177.17 3fwk h TRP 202 N -0.15 0.89 -0.01 1.37 -0.00 -1.30 -1.30 115.95 115.44 3fwk h TRP 202 Ca 0.07 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 3fwk h TRP 202 Cb 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 3fwk h TRP 202 CO -0.21 0.73 -0.03 1.03 -0.00 0.00 0.00 178.44 179.97 3fwk h SER 203 N 0.79 -0.08 -0.23 -3.49 0.87 -1.08 -0.13 113.55 110.19 3fwk h SER 203 Ca 0.19 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 3fwk h SER 203 Cb 0.24 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3fwk h SER 203 CO -0.01 -0.04 -0.09 0.15 -0.53 0.00 0.00 176.83 176.31 3fwk h PHE 204 N -0.05 0.54 -0.65 2.24 3.57 -1.31 -1.71 116.94 119.58 3fwk h PHE 204 Ca 0.02 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 3fwk h PHE 204 Cb 0.07 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3fwk h PHE 204 CO -0.11 0.73 0.30 1.25 -2.23 0.00 0.00 178.31 178.25 3fwk h LEU 205 N 0.20 0.86 -0.41 0.59 5.85 -1.07 -0.76 115.31 120.57 3fwk h LEU 205 Ca 0.06 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3fwk h LEU 205 Cb 0.58 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3fwk h LEU 205 CO 0.03 0.76 0.03 -0.07 -0.34 0.00 0.00 178.44 178.85 3fwk h LEU 206 N 0.90 0.69 -1.37 2.25 3.38 -0.99 -2.82 115.31 117.35 3fwk h LEU 206 Ca 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3fwk h LEU 206 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3fwk h LEU 206 CO -0.03 0.81 0.25 0.22 0.09 0.00 0.00 178.44 179.78 3fwk h TYR 207 N 0.55 0.66 0.00 1.13 3.20 -1.07 -2.94 116.97 118.49 3fwk h TYR 207 Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3fwk h TYR 207 Cb 0.44 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3fwk h TYR 207 CO 0.03 0.48 -0.03 0.66 -1.64 0.00 0.00 178.16 177.66 3fwk h SER 208 N 0.68 0.00 -1.65 -2.11 4.64 -0.87 0.94 113.55 115.19 3fwk h SER 208 Ca 0.17 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.08 3fwk h SER 208 Cb 0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 3fwk h SER 208 CO -0.03 0.03 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.34 3fwk n ASN 209 N -4.23 -5.58 -4.84 4.97 5.15 -1.11 -4.50 115.26 105.11 3fwk n ASN 209 Ca -0.03 0.32 -0.32 0.00 -0.60 0.00 0.00 54.58 53.95 3fwk n ASN 209 Cb 0.12 -4.78 -0.06 0.00 -0.53 0.00 0.00 39.78 34.52 3fwk n ASN 209 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3fwk s GLU 210 N -4.18 4.06 0.37 1.20 0.41 -1.26 -4.94 118.70 114.36 3fwk s GLU 210 Ca 0.00 0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 55.10 3fwk s GLU 210 Cb 0.00 -2.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.92 3fwk s GLU 210 CO 0.00 0.05 1.48 -2.30 -0.49 0.00 0.00 175.26 174.00 3fwk n PRO 211 N -0.62 2.64 -4.53 0.39 -0.02 -1.26 -5.01 135.00 126.58 3fwk n PRO 211 Ca 0.05 0.93 -0.25 0.00 -2.02 0.00 0.00 63.50 62.21 3fwk n PRO 211 Cb 0.54 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3fwk n PRO 211 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fwk s ILE 212 N -0.99 1.64 0.00 4.25 -4.36 -1.26 -5.08 121.20 115.40 3fwk s ILE 212 Ca 0.55 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 3fwk s ILE 212 Cb -0.49 -2.85 -0.08 0.00 1.25 0.00 0.00 42.46 40.30 3fwk s ILE 212 CO 0.62 -0.04 1.92 0.00 0.24 0.00 0.00 174.94 177.68 3fwk n GLU 214 N 7.54 0.02 -0.19 0.00 4.07 -1.26 -2.45 120.64 128.37 3fwk n GLU 214 Ca 0.20 0.24 0.11 0.00 -0.06 0.00 0.00 57.16 57.66 3fwk n GLU 214 Cb 0.42 -1.54 0.43 0.00 -0.06 0.00 0.00 31.44 30.69 3fwk n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3fwk h LEU 215 N 0.00 0.54 -1.64 4.31 3.38 -1.94 -1.89 115.31 118.08 3fwk h LEU 215 Ca 0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fwk h LEU 215 Cb 0.29 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3fwk h LEU 215 CO 0.00 0.30 0.25 1.88 0.09 0.00 0.00 178.44 180.96 3fwk h TYR 216 N 0.59 0.46 -0.07 1.13 0.05 -1.68 -1.33 116.97 116.11 3fwk h TYR 216 Ca 0.36 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.18 3fwk h TYR 216 Cb 0.61 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3fwk h TYR 216 CO -0.00 0.29 0.06 -0.09 -1.05 0.00 0.00 178.16 177.37 3fwk h ARG 217 N 0.49 0.00 -0.39 4.88 9.65 -1.56 0.75 114.38 128.20 3fwk h ARG 217 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 3fwk h ARG 217 Cb -0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3fwk h ARG 217 CO -0.03 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.40 3fwk n TYR 218 N -4.28 0.51 0.00 2.20 4.01 -0.51 -4.09 117.16 115.00 3fwk n TYR 218 Ca -0.01 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3fwk n TYR 218 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3fwk n TYR 218 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fwk n GLY 219 N 1.30 0.73 3.76 2.72 0.00 -0.82 -4.62 105.19 108.26 3fwk n GLY 219 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3fwk n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwk s PHE 220 N -2.00 3.44 -0.14 1.61 0.08 -1.20 -1.01 117.98 118.76 3fwk s PHE 220 Ca 0.00 1.65 0.05 0.00 0.12 0.00 0.00 56.93 58.74 3fwk s PHE 220 Cb 0.00 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.06 3fwk s PHE 220 CO 0.00 -0.80 0.17 0.25 -0.10 0.00 0.00 175.22 174.74 3fwk n THR 221 N 0.93 0.00 -3.83 0.64 -2.24 -1.26 -3.99 114.28 104.53 3fwk n THR 221 Ca 0.00 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 3fwk n THR 221 Cb 0.45 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 3fwk n THR 221 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fwk s SER 222 N -1.91 -0.13 -0.70 3.42 0.15 -1.24 -4.91 113.70 108.37 3fwk s SER 222 Ca 0.00 0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.83 3fwk s SER 222 Cb 0.03 0.30 0.18 0.00 -1.71 0.00 0.00 66.02 64.83 3fwk s SER 222 CO 0.20 -0.11 0.55 -0.76 1.20 0.00 0.00 173.24 174.33 3fwk s LEU 223 N -0.16 5.58 0.00 3.45 1.43 -1.26 -4.92 118.68 122.81 3fwk s LEU 223 Ca -0.02 -2.94 0.00 0.00 -1.03 0.00 0.00 54.13 50.13 3fwk s LEU 223 Cb -0.02 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3fwk s LEU 223 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3fwk n GLY 224 N 3.42 1.28 3.93 -3.19 0.00 -1.26 -5.06 105.19 104.31 3fwk n GLY 224 Ca 0.11 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 3fwk n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwk s ASN 225 N -1.00 5.26 0.41 1.61 2.20 -1.26 -4.63 114.94 117.52 3fwk s ASN 225 Ca 0.00 0.52 0.17 0.00 -0.94 0.00 0.00 52.86 52.62 3fwk s ASN 225 Cb 0.00 -1.38 0.89 0.00 -2.00 0.00 0.00 41.25 38.76 3fwk s ASN 225 CO 0.00 -1.27 1.87 -0.37 -2.94 0.00 0.00 177.10 174.39 3fwk h VAL 226 N -0.30 1.02 0.00 3.54 -1.51 -1.26 -1.74 116.25 116.00 3fwk h VAL 226 Ca -0.45 -1.13 -0.18 0.00 -1.23 0.00 0.00 66.70 63.72 3fwk h VAL 226 Cb 1.28 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 32.06 3fwk h VAL 226 CO 0.60 0.30 -0.85 1.05 -1.23 0.00 0.00 177.57 177.44 3fwk h GLU 227 N 0.00 0.00 0.00 5.19 9.09 -1.93 -3.37 114.58 123.56 3fwk h GLU 227 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.23 3fwk h GLU 227 Cb 0.62 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.69 3fwk h GLU 227 CO 0.04 0.85 -1.98 0.39 0.05 0.00 0.00 179.01 178.36 3fwk n GLU 228 N -3.42 1.05 -3.26 1.06 1.02 -1.13 -4.79 120.64 111.18 3fwk n GLU 228 Ca 0.00 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 3fwk n GLU 228 Cb 0.84 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.79 3fwk n GLU 228 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fwk s THR 229 N -2.70 5.04 0.23 2.62 2.01 -0.67 -0.63 115.64 121.54 3fwk s THR 229 Ca -0.07 1.11 0.07 0.00 0.31 0.00 0.00 61.69 63.11 3fwk s THR 229 Cb 0.07 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3fwk s THR 229 CO 0.68 0.39 -0.10 -0.76 -0.69 0.00 0.00 174.62 174.13 3fwk s LEU 230 N 0.11 2.50 0.66 4.42 1.43 -0.53 -4.91 118.68 122.35 3fwk s LEU 230 Ca 0.29 -1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.13 3fwk s LEU 230 Cb -0.17 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 3fwk s LEU 230 CO 0.14 -0.26 1.07 -2.65 0.23 0.00 0.00 176.35 174.88 3fwk n PRO 231 N -0.43 0.84 -2.32 1.29 -0.02 -1.26 -4.41 135.00 128.68 3fwk n PRO 231 Ca -0.07 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3fwk n PRO 231 Cb 0.62 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3fwk n PRO 231 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fwk s ASN 232 N -1.42 6.94 0.55 2.55 3.84 -0.18 -4.60 114.94 122.62 3fwk s ASN 232 Ca 0.78 2.01 0.33 0.00 0.21 0.00 0.00 52.86 56.19 3fwk s ASN 232 Cb -0.38 -2.56 1.54 0.00 -0.55 0.00 0.00 41.25 39.29 3fwk s ASN 232 CO 0.45 -0.64 2.06 1.55 -2.79 0.00 0.00 177.10 177.73 3fwk h PRO 233 N 7.54 0.00 0.00 0.43 0.13 -1.89 0.17 132.00 138.38 3fwk h PRO 233 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3fwk h PRO 233 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3fwk h PRO 233 CO 0.88 0.07 0.00 0.72 -0.23 0.00 0.00 178.00 179.44 3fwk n HIS 234 N -3.29 0.73 0.09 1.56 8.25 -1.26 -2.25 115.22 119.05 3fwk n HIS 234 Ca -0.01 0.30 0.10 0.00 -0.26 0.00 0.00 57.72 57.86 3fwk n HIS 234 Cb 0.26 -0.99 0.22 0.00 1.12 0.00 0.00 29.99 30.60 3fwk n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fwk n LEU 235 N -2.18 3.39 -4.74 2.41 4.77 0.04 -4.99 117.00 115.70 3fwk n LEU 235 Ca 0.02 -1.65 -0.41 0.00 -0.03 0.00 0.00 56.01 53.94 3fwk n LEU 235 Cb 0.19 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3fwk n LEU 235 CO 0.17 0.77 0.96 -0.60 -1.33 0.00 0.00 177.39 177.37 3fwk s ARG 236 N -1.26 4.41 0.17 3.23 3.52 -0.95 -0.87 118.95 127.20 3fwk s ARG 236 Ca 0.37 2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 57.71 3fwk s ARG 236 Cb 0.21 -3.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.34 3fwk s ARG 236 CO 0.28 -0.20 0.97 0.15 -0.81 0.00 0.00 175.30 175.70 3fwk s LYS 237 N -0.38 4.74 -0.25 5.12 1.02 0.19 -4.89 119.74 125.30 3fwk s LYS 237 Ca 0.55 1.51 -0.12 0.00 0.02 0.00 0.00 55.97 57.93 3fwk s LYS 237 Cb -0.36 -3.32 0.09 0.00 -0.52 0.00 0.00 37.83 33.72 3fwk s LYS 237 CO 0.40 0.31 0.59 0.34 -0.92 0.00 0.00 175.35 176.07 3fwk s ASP 238 N -0.49 -0.83 0.52 2.83 -1.08 -1.26 -4.72 116.67 111.64 3fwk s ASP 238 Ca 0.45 1.35 0.30 0.00 -0.52 0.00 0.00 52.55 54.13 3fwk s ASP 238 Cb -0.25 1.48 1.43 0.00 -1.46 0.00 0.00 42.92 44.11 3fwk s ASP 238 CO 0.32 -0.22 1.87 0.11 0.52 0.00 0.00 175.17 177.76 3fwk h LYS 239 N 7.40 0.07 -0.48 4.34 1.57 -2.01 -2.32 116.57 125.13 3fwk h LYS 239 Ca -0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3fwk h LYS 239 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3fwk h LYS 239 CO 0.17 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3fwk n ASN 240 N -4.30 3.72 -4.93 0.86 3.02 -1.26 -4.88 115.26 107.49 3fwk n ASN 240 Ca 0.20 -2.26 -0.26 0.00 -0.03 0.00 0.00 54.58 52.23 3fwk n ASN 240 Cb 0.97 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 3fwk n ASN 240 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fwk s SER 241 N -1.12 6.37 0.05 6.41 0.01 -0.87 -5.07 113.70 119.48 3fwk s SER 241 Ca 0.38 0.52 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 3fwk s SER 241 Cb 0.23 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.33 3fwk s SER 241 CO 0.20 -0.18 1.53 -0.89 0.41 0.00 0.00 173.24 174.32 3fwk s THR 242 N -2.10 3.30 0.43 1.44 2.01 -1.26 -4.93 115.64 114.53 3fwk s THR 242 Ca 0.41 0.75 -0.24 0.00 0.31 0.00 0.00 61.69 62.91 3fwk s THR 242 Cb -0.10 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 3fwk s THR 242 CO 0.32 0.00 1.12 -2.65 -0.69 0.00 0.00 174.62 172.72 3fwk n PRO 243 N 5.35 1.56 -3.06 4.92 -0.02 -1.26 -4.96 135.00 137.53 3fwk n PRO 243 Ca 0.14 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3fwk n PRO 243 Cb 0.42 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3fwk n PRO 243 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fwk s LEU 244 N -1.16 4.08 0.02 2.45 1.43 -1.26 -5.06 118.68 119.18 3fwk s LEU 244 Ca 0.63 1.39 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3fwk s LEU 244 Cb -0.53 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 3fwk s LEU 244 CO 0.56 -0.20 0.13 -0.54 0.23 0.00 0.00 176.35 176.54 3fwk s LYS 245 N -2.86 3.20 -0.19 1.70 -0.14 -1.26 -5.09 119.74 115.10 3fwk s LYS 245 Ca 0.54 -0.47 -0.16 0.00 -1.36 0.00 0.00 55.97 54.52 3fwk s LYS 245 Cb -0.11 -2.93 -0.04 0.00 -1.68 0.00 0.00 37.83 33.07 3fwk s LYS 245 CO 0.17 0.63 0.39 -1.17 -0.76 0.00 0.00 175.35 174.61 3fwk s LEU 246 N -2.07 4.17 0.00 3.17 2.96 -1.26 -4.93 118.68 120.72 3fwk s LEU 246 Ca 0.28 0.53 0.27 0.00 -0.22 0.00 0.00 54.13 54.99 3fwk s LEU 246 Cb -0.12 -2.51 0.88 0.00 0.50 0.00 0.00 46.19 44.94 3fwk s LEU 246 CO 0.20 -0.05 1.65 0.59 -1.32 0.00 0.00 176.35 177.41 3fwk n ASN 247 N 4.32 0.85 -0.64 3.68 3.02 -1.26 -4.34 115.26 120.89 3fwk n ASN 247 Ca -0.09 -0.78 0.06 0.00 -0.03 0.00 0.00 54.58 53.75 3fwk n ASN 247 Cb 0.51 0.08 0.17 0.00 -0.61 0.00 0.00 39.78 39.93 3fwk n ASN 247 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fwk n PHE 248 N -0.76 0.00 -0.18 3.10 3.72 -1.26 -4.79 117.46 117.29 3fwk n PHE 248 Ca 0.13 -1.28 -0.05 0.00 -0.05 0.00 0.00 57.45 56.20 3fwk n PHE 248 Cb 0.33 -0.22 0.05 0.00 -0.94 0.00 0.00 39.48 38.69 3fwk n PHE 248 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3fwk h GLU 249 N 0.84 0.61 -0.29 -1.08 4.81 -2.00 -1.87 114.58 115.60 3fwk h GLU 249 Ca -0.03 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3fwk h GLU 249 Cb 1.12 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3fwk h GLU 249 CO 0.01 0.41 0.10 2.35 -0.73 0.00 0.00 179.01 181.15 3fwk h TRP 250 N 0.63 0.46 -0.72 0.92 7.01 -1.95 -0.57 115.95 121.73 3fwk h TRP 250 Ca 0.22 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.19 3fwk h TRP 250 Cb 0.04 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 3fwk h TRP 250 CO -0.07 0.46 0.48 0.93 -2.79 0.00 0.00 178.44 177.45 3fwk h GLU 251 N 0.32 0.94 -0.21 2.65 3.07 -1.87 0.17 114.58 119.65 3fwk h GLU 251 Ca 0.10 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 3fwk h GLU 251 Cb 0.21 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fwk h GLU 251 CO -0.01 0.62 -0.20 0.82 -1.40 0.00 0.00 179.01 178.85 3fwk h ILE 252 N 0.97 1.32 0.00 3.13 2.04 -1.15 -1.44 117.51 122.39 3fwk h ILE 252 Ca 0.27 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 3fwk h ILE 252 Cb -0.10 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3fwk h ILE 252 CO -0.06 0.41 -0.16 -0.33 0.00 0.00 0.00 178.15 178.01 3fwk h GLU 253 N 0.19 0.00 0.00 2.37 5.08 -0.82 -3.18 114.58 118.22 3fwk h GLU 253 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3fwk h GLU 253 Cb 0.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3fwk h GLU 253 CO 0.05 0.16 -0.43 0.09 -1.00 0.00 0.00 179.01 177.88 3fwk n ASN 254 N -3.29 1.72 -4.69 1.42 4.13 0.02 -5.08 115.26 109.49 3fwk n ASN 254 Ca 0.00 -3.43 -0.32 0.00 1.68 0.00 0.00 54.58 52.51 3fwk n ASN 254 Cb 0.41 -0.47 0.14 0.00 -1.54 0.00 0.00 39.78 38.32 3fwk n ASN 254 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fwk s ARG 255 N -2.69 1.41 0.19 3.52 1.70 -0.54 -4.85 118.95 117.69 3fwk s ARG 255 Ca 0.35 1.61 -0.32 0.00 -0.47 0.00 0.00 55.73 56.90 3fwk s ARG 255 Cb 0.33 -1.76 -0.12 0.00 -0.57 0.00 0.00 34.95 32.83 3fwk s ARG 255 CO -0.05 -2.36 1.70 0.98 -1.08 0.00 0.00 175.30 174.49 3fwk n TYR 256 N -3.74 2.63 -3.07 5.89 9.36 0.32 -4.94 117.16 123.61 3fwk n TYR 256 Ca 0.12 0.07 -0.40 0.00 3.32 0.00 0.00 57.90 61.01 3fwk n TYR 256 Cb 0.51 -2.65 -0.05 0.00 -0.63 0.00 0.00 39.34 36.52 3fwk n TYR 256 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3fwk s LYS 257 N 1.29 4.26 0.84 2.98 1.02 -1.26 -4.68 119.74 124.19 3fwk s LYS 257 Ca 0.77 0.72 -0.09 0.00 0.02 0.00 0.00 55.97 57.39 3fwk s LYS 257 Cb -0.54 -3.56 0.16 0.00 -0.52 0.00 0.00 37.83 33.37 3fwk s LYS 257 CO 0.34 -0.21 1.17 -1.01 -0.92 0.00 0.00 175.35 174.72 3fwk s HIS 258 N 1.78 1.76 0.00 3.18 3.76 -1.26 -5.12 115.29 119.39 3fwk s HIS 258 Ca 0.32 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 3fwk s HIS 258 Cb -0.16 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.94 3fwk s HIS 258 CO 0.12 -2.15 0.00 0.27 -0.85 0.00 0.00 174.74 172.12 3fwk n ASN 259 N -3.32 1.10 -0.13 1.40 0.23 -1.26 -4.93 115.26 108.35 3fwk n ASN 259 Ca 0.14 -0.53 -0.03 0.00 -0.53 0.00 0.00 54.58 53.64 3fwk n ASN 259 Cb 0.60 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.50 3fwk n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fwk h GLU 260 N 0.00 0.83 -0.24 -3.83 4.39 -1.99 -1.10 114.58 112.63 3fwk h GLU 260 Ca 0.00 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.35 3fwk h GLU 260 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3fwk h GLU 260 CO 0.00 0.74 -0.59 0.28 -1.16 0.00 0.00 179.01 178.28 3fwk h VAL 261 N 0.80 1.28 -0.02 3.13 2.07 -2.00 -3.34 116.25 118.17 3fwk h VAL 261 Ca 0.18 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3fwk h VAL 261 Cb 0.28 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3fwk h VAL 261 CO -0.00 0.57 -0.06 0.35 0.02 0.00 0.00 177.57 178.45 3fwk n THR 262 N -4.02 0.00 -1.64 2.57 -2.24 -1.08 -4.85 114.28 103.02 3fwk n THR 262 Ca -0.05 -0.41 -0.46 0.00 -2.27 0.00 0.00 64.05 60.86 3fwk n THR 262 Cb 0.65 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 70.07 3fwk n THR 262 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fwk n LYS 263 N 0.88 1.71 -4.01 -0.78 4.76 -0.44 -4.78 118.16 115.50 3fwk n LYS 263 Ca 0.15 0.61 -0.13 0.00 -2.87 0.00 0.00 58.31 56.06 3fwk n LYS 263 Cb 0.52 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.51 3fwk n LYS 263 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fwk s ALA 264 N -0.30 0.28 -0.06 7.82 0.00 -1.26 -4.79 121.76 123.45 3fwk s ALA 264 Ca 0.67 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 3fwk s ALA 264 Cb -0.71 1.03 0.04 0.00 0.00 0.00 0.00 23.12 23.48 3fwk s ALA 264 CO 0.53 -0.85 0.43 -1.21 0.00 0.00 0.00 175.76 174.66 3fwk s GLU 265 N -2.97 0.72 0.64 0.00 2.02 -1.26 -5.02 118.70 112.83 3fwk s GLU 265 Ca 0.26 0.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.20 3fwk s GLU 265 Cb -0.02 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.53 3fwk s GLU 265 CO 0.17 -0.18 1.22 -2.14 0.02 0.00 0.00 175.26 174.35 3fwk s PRO 266 N -0.87 2.69 -0.17 0.39 0.02 -1.26 -4.74 135.00 131.06 3fwk s PRO 266 Ca -0.09 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 62.73 3fwk s PRO 266 Cb -0.04 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 3fwk s PRO 266 CO 0.05 -1.43 -0.03 0.42 -0.33 0.00 0.00 177.00 175.68 3fwk s ILE 267 N -1.67 3.87 0.74 2.83 1.01 -1.26 -5.09 121.20 121.63 3fwk s ILE 267 Ca 0.77 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 3fwk s ILE 267 Cb -0.31 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.49 3fwk s ILE 267 CO 0.37 0.47 1.22 -2.16 0.00 0.00 0.00 174.94 174.85 3fwk s PRO 268 N 0.59 2.04 0.83 2.79 0.04 -1.26 -4.55 135.00 135.48 3fwk s PRO 268 Ca -0.02 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 3fwk s PRO 268 Cb -0.14 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.68 3fwk s PRO 268 CO 0.02 -1.93 1.17 0.96 0.04 0.00 0.00 177.00 177.27 3fwk s ILE 269 N -1.93 2.24 0.51 0.56 -4.36 -1.26 -4.95 121.20 112.01 3fwk s ILE 269 Ca 0.75 0.09 -0.23 0.00 -0.26 0.00 0.00 60.65 61.01 3fwk s ILE 269 Cb -0.30 -2.38 -0.06 0.00 1.25 0.00 0.00 42.46 40.97 3fwk s ILE 269 CO 0.46 -0.09 1.38 0.00 0.24 0.00 0.00 174.94 176.93 3fwk s ALA 270 N -2.40 2.98 0.23 2.27 0.00 -1.26 -4.80 121.76 118.77 3fwk s ALA 270 Ca 0.69 1.37 -0.07 0.00 0.00 0.00 0.00 51.96 53.96 3fwk s ALA 270 Cb -0.25 -3.57 0.33 0.00 0.00 0.00 0.00 23.12 19.63 3fwk s ALA 270 CO 0.53 -1.29 1.79 0.22 0.00 0.00 0.00 175.76 177.01 3fwk h ASP 271 N 1.80 0.51 -0.09 0.00 3.58 -2.00 -0.48 116.42 119.75 3fwk h ASP 271 Ca -0.51 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 3fwk h ASP 271 Cb 1.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 3fwk h ASP 271 CO 0.59 0.30 0.04 1.05 -2.88 0.00 0.00 179.24 178.34 3fwk h GLU 272 N 0.65 0.16 0.02 0.28 4.11 -2.00 -0.05 114.58 117.75 3fwk h GLU 272 Ca 0.35 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.53 3fwk h GLU 272 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3fwk h GLU 272 CO -0.25 0.15 -0.98 -0.44 0.07 0.00 0.00 179.01 177.56 3fwk h ASP 273 N 0.17 0.53 -0.79 3.06 3.32 -1.49 -2.56 116.42 118.65 3fwk h ASP 273 Ca 0.04 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3fwk h ASP 273 Cb 0.05 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3fwk h ASP 273 CO -0.00 1.25 0.32 0.25 -1.72 0.00 0.00 179.24 179.34 3fwk h LEU 274 N 0.21 1.09 -0.49 1.55 5.85 -0.05 -1.29 115.31 122.18 3fwk h LEU 274 Ca -0.09 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3fwk h LEU 274 Cb 1.63 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 3fwk h LEU 274 CO 0.17 0.96 0.33 0.58 -0.34 0.00 0.00 178.44 180.14 3fwk h VAL 275 N 1.15 1.12 -0.59 1.05 2.07 -1.02 0.12 116.25 120.15 3fwk h VAL 275 Ca 0.27 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fwk h VAL 275 Cb 0.21 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3fwk h VAL 275 CO -0.02 0.12 0.19 0.11 0.02 0.00 0.00 177.57 177.98 3fwk h LYS 276 N 0.67 0.89 -0.21 1.57 1.57 -1.07 -0.97 116.57 119.00 3fwk h LYS 276 Ca 0.18 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3fwk h LYS 276 Cb -0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3fwk h LYS 276 CO -0.04 0.76 -0.51 0.82 -0.57 0.00 0.00 179.45 179.91 3fwk h ILE 277 N 0.86 1.30 -0.17 1.86 2.04 -0.74 -3.14 117.51 119.53 3fwk h ILE 277 Ca 0.20 -1.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 3fwk h ILE 277 Cb 0.25 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3fwk h ILE 277 CO -0.01 0.55 -0.23 -0.33 0.00 0.00 0.00 178.15 178.13 3fwk h GLU 278 N 0.45 0.30 0.00 2.37 5.08 -0.56 -2.30 114.58 119.92 3fwk h GLU 278 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3fwk h GLU 278 Cb 1.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3fwk h GLU 278 CO 0.11 0.52 0.00 -0.91 -1.00 0.00 0.00 179.01 177.73 3fwk h ASN 279 N 0.27 0.00 0.85 1.42 2.35 -1.13 -2.12 115.58 117.22 3fwk h ASN 279 Ca 0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3fwk h ASN 279 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3fwk h ASN 279 CO 0.04 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.56 3fwk h LEU 280 N 0.00 0.00 -0.44 1.61 3.38 -1.46 -3.47 115.31 114.93 3fwk h LEU 280 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 3fwk h LEU 280 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.01 3fwk h LEU 280 CO 0.00 0.19 -0.69 1.41 0.09 0.00 0.00 178.44 179.44 3fwk n HIS 281 N -3.40 -2.40 -3.90 1.13 8.25 -0.80 -4.98 115.22 109.13 3fwk n HIS 281 Ca -0.00 0.84 -0.10 0.00 -0.26 0.00 0.00 57.72 58.20 3fwk n HIS 281 Cb 0.39 -4.32 -0.09 0.00 1.12 0.00 0.00 29.99 27.09 3fwk n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fwk s GLU 282 N -6.31 0.62 0.20 -0.41 0.41 -1.26 -5.17 118.70 106.78 3fwk s GLU 282 Ca 0.56 -0.72 0.11 0.00 -0.41 0.00 0.00 54.97 54.51 3fwk s GLU 282 Cb -0.26 0.25 -0.04 0.00 -1.78 0.00 0.00 34.13 32.29 3fwk s GLU 282 CO 0.69 -0.16 -0.23 0.34 -0.49 0.00 0.00 175.26 175.40 3fwk s ASP 283 N -2.13 3.46 0.03 -0.19 2.15 -1.26 -4.97 116.67 113.76 3fwk s ASP 283 Ca -0.05 -0.87 0.03 0.00 0.43 0.00 0.00 52.55 52.10 3fwk s ASP 283 Cb -0.01 -0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.32 3fwk s ASP 283 CO -0.05 0.12 -0.10 -0.31 -0.17 0.00 0.00 175.17 174.66 3fwk s TYR 284 N -1.71 0.86 0.68 -5.34 2.02 -1.26 -0.64 117.35 111.95 3fwk s TYR 284 Ca 0.21 -0.33 -0.17 0.00 -0.37 0.00 0.00 57.07 56.42 3fwk s TYR 284 Cb -0.08 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 3fwk s TYR 284 CO 0.10 -0.01 1.22 0.71 -1.57 0.00 0.00 175.55 176.00 3fwk s TYR 285 N -0.82 2.16 0.91 2.71 2.02 -0.05 -4.65 117.35 119.64 3fwk s TYR 285 Ca -0.02 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.13 3fwk s TYR 285 Cb -0.07 -3.51 0.14 0.00 -0.40 0.00 0.00 41.96 38.12 3fwk s TYR 285 CO 0.01 -2.55 1.10 -1.25 -1.57 0.00 0.00 175.55 171.29 3fwk s PRO 286 N -3.67 1.11 0.54 -1.71 0.04 -1.26 -3.65 135.00 126.40 3fwk s PRO 286 Ca 0.76 1.17 0.21 0.00 0.04 0.00 0.00 61.00 63.19 3fwk s PRO 286 Cb -0.31 -1.77 1.40 0.00 0.04 0.00 0.00 34.50 33.86 3fwk s PRO 286 CO 0.41 -2.44 2.10 0.78 0.04 0.00 0.00 177.00 177.89 3fwk h GLY 287 N -1.71 0.00 0.68 0.56 0.00 -1.00 -0.88 103.07 100.71 3fwk h GLY 287 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3fwk h GLY 287 CO 0.49 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.36 3fwk n TRP 288 N -4.35 0.00 1.34 5.60 2.14 -1.26 -1.13 117.44 119.78 3fwk n TRP 288 Ca 0.02 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.73 3fwk n TRP 288 Cb 0.28 0.00 0.63 0.00 -0.81 0.00 0.00 31.31 31.41 3fwk n TRP 288 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3fwk n TYR 289 N -0.84 0.00 -3.69 -2.67 4.02 -0.33 -4.71 117.16 108.93 3fwk n TYR 289 Ca 0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.63 3fwk n TYR 289 Cb 0.05 -0.25 -0.09 0.00 -0.02 0.00 0.00 39.34 39.03 3fwk n TYR 289 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3fwk s LEU 290 N -2.59 4.09 0.00 7.72 2.96 -0.28 -4.93 118.68 125.65 3fwk s LEU 290 Ca 0.26 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3fwk s LEU 290 Cb 0.20 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.80 3fwk s LEU 290 CO 0.49 0.08 0.49 1.33 -1.32 0.00 0.00 176.35 177.43 3fwk n VAL 291 N 4.18 0.16 -3.06 1.68 0.24 -1.26 -4.79 118.33 115.48 3fwk n VAL 291 Ca -0.15 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.25 3fwk n VAL 291 Cb 0.52 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 3fwk n VAL 291 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fwk s ASP 292 N -0.16 6.36 0.50 -1.34 -1.08 -1.26 -4.39 116.67 115.29 3fwk s ASP 292 Ca 0.00 -0.25 0.22 0.00 -0.52 0.00 0.00 52.55 52.00 3fwk s ASP 292 Cb 0.00 -2.34 1.28 0.00 -1.46 0.00 0.00 42.92 40.40 3fwk s ASP 292 CO 0.00 -0.82 1.98 0.44 0.52 0.00 0.00 175.17 177.28 3fwk h ASP 293 N 8.90 0.13 0.82 -0.34 3.32 -1.99 -0.82 116.42 126.43 3fwk h ASP 293 Ca -0.25 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3fwk h ASP 293 Cb 1.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3fwk h ASP 293 CO 0.91 0.07 -0.00 0.11 -1.72 0.00 0.00 179.24 178.61 3fwk h LYS 294 N 0.14 0.00 -0.40 3.56 1.57 -1.95 -2.86 116.57 116.62 3fwk h LYS 294 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3fwk h LYS 294 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3fwk h LYS 294 CO -0.04 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 3fwk n LEU 295 N -3.10 3.17 -0.19 2.94 4.77 -0.32 -4.63 117.00 119.65 3fwk n LEU 295 Ca -0.00 -1.74 0.06 0.00 -0.03 0.00 0.00 56.01 54.30 3fwk n LEU 295 Cb 0.26 -0.27 0.35 0.00 -2.33 0.00 0.00 43.42 41.43 3fwk n LEU 295 CO 0.26 0.75 1.22 -0.08 -1.33 0.00 0.00 177.39 178.20 3fwk h GLU 296 N 3.18 0.74 -0.59 3.23 4.81 -1.51 -1.63 114.58 122.82 3fwk h GLU 296 Ca 0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 3fwk h GLU 296 Cb 0.82 -0.17 -0.11 0.00 0.63 0.00 0.00 28.75 29.92 3fwk h GLU 296 CO 0.00 0.49 0.17 0.54 -0.73 0.00 0.00 179.01 179.49 3fwk n ARG 297 N -4.48 3.18 0.23 1.92 1.74 -1.26 -3.71 116.66 114.29 3fwk n ARG 297 Ca 0.11 -3.06 0.11 0.00 -0.77 0.00 0.00 57.85 54.24 3fwk n ARG 297 Cb 0.22 -2.07 0.51 0.00 -1.02 0.00 0.00 32.46 30.10 3fwk n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fwk h ALA 298 N 2.14 1.05 -0.97 7.54 0.00 -1.60 -3.39 119.26 124.03 3fwk h ALA 298 Ca 0.22 -0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.29 3fwk h ALA 298 Cb 2.07 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.74 3fwk h ALA 298 CO 0.59 0.24 1.98 0.20 0.00 0.00 0.00 179.25 182.27 3fwk s GLY 299 N -4.26 1.58 -0.00 0.00 0.00 -1.26 -4.66 107.32 98.71 3fwk s GLY 299 Ca 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 44.72 41.92 3fwk s GLY 299 CO 0.62 2.69 0.07 0.50 0.00 0.00 0.00 173.10 176.98 3fwk s ARG 300 N 4.30 0.31 0.27 2.90 1.81 -1.26 -1.46 118.95 125.82 3fwk s ARG 300 Ca 0.51 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 53.94 3fwk s ARG 300 Cb 0.03 0.12 -0.10 0.00 -0.45 0.00 0.00 34.95 34.55 3fwk s ARG 300 CO 0.03 -0.06 1.29 0.42 -0.68 0.00 0.00 175.30 176.30 3fwk s ILE 301 N -0.94 2.99 0.09 1.52 -1.09 0.20 -4.83 121.20 119.15 3fwk s ILE 301 Ca -0.10 0.91 -0.31 0.00 -2.23 0.00 0.00 60.65 58.92 3fwk s ILE 301 Cb -0.06 -3.58 -0.08 0.00 -1.58 0.00 0.00 42.46 37.16 3fwk s ILE 301 CO 0.00 0.18 1.42 -0.54 -1.23 0.00 0.00 174.94 174.77 3fwk s LYS 302 N -0.98 4.30 0.05 2.79 -0.14 -1.26 -5.03 119.74 119.48 3fwk s LYS 302 Ca 0.52 2.09 0.07 0.00 -1.36 0.00 0.00 55.97 57.29 3fwk s LYS 302 Cb -0.38 -3.33 -0.03 0.00 -1.68 0.00 0.00 37.83 32.42 3fwk s LYS 302 CO 0.45 -0.49 -0.19 0.15 -0.76 0.00 0.00 175.35 174.50 3fwk s LYS 303 N 1.47 1.23 0.00 1.68 -0.14 -1.26 -5.21 119.74 117.51 3fwk s LYS 303 Ca 0.65 -0.93 0.13 0.00 -1.36 0.00 0.00 55.97 54.47 3fwk s LYS 303 Cb -0.36 -1.34 0.79 0.00 -1.68 0.00 0.00 37.83 35.24 3fwk s LYS 303 CO 0.30 0.34 1.22 1.63 -0.76 0.00 0.00 175.35 178.07