#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fua s GLU 2 N 0.00 3.61 0.20 3.17 2.12 -1.26 -4.94 118.70 121.61 1fua s GLU 2 Ca 0.00 0.98 -0.10 0.00 0.36 0.00 0.00 54.97 56.21 1fua s GLU 2 Cb 0.00 -2.08 0.22 0.00 0.26 0.00 0.00 34.13 32.53 1fua s GLU 2 CO 0.00 -0.56 1.78 -0.09 -0.54 0.00 0.00 175.26 175.86 1fua h ARG 3 N 0.39 0.52 0.00 4.30 2.43 -2.05 -2.10 114.38 117.87 1fua h ARG 3 Ca -0.46 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1fua h ARG 3 Cb 1.20 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1fua h ARG 3 CO 0.60 0.35 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.40 1fua h ASN 4 N 0.54 0.00 0.01 -3.80 2.35 -1.96 0.26 115.58 112.98 1fua h ASN 4 Ca 0.28 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.77 1fua h ASN 4 Cb 0.23 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.62 1fua h ASN 4 CO -0.21 0.10 -0.98 0.11 -1.65 0.00 0.00 177.43 174.80 1fua h LYS 5 N 0.00 0.69 -0.13 0.81 1.79 -1.77 -1.42 116.57 116.54 1fua h LYS 5 Ca -0.00 -0.70 -0.10 0.00 -2.18 0.00 0.00 60.65 57.67 1fua h LYS 5 Cb 0.23 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1fua h LYS 5 CO 0.01 1.29 -0.38 -0.07 -1.08 0.00 0.00 179.45 179.23 1fua h LEU 6 N 0.41 0.28 -0.45 2.94 3.38 -0.82 -2.38 115.31 118.67 1fua h LEU 6 Ca -0.11 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1fua h LEU 6 Cb 1.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1fua h LEU 6 CO 0.19 0.64 -0.13 0.00 0.09 0.00 0.00 178.44 179.23 1fua h ALA 7 N 1.38 0.63 -0.38 1.53 0.00 -0.40 -2.45 119.26 119.57 1fua h ALA 7 Ca 0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1fua h ALA 7 Cb 0.77 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1fua h ALA 7 CO 0.06 0.54 0.09 0.00 0.00 0.00 0.00 179.25 179.94 1fua h ARG 8 N 0.73 0.62 -0.76 0.00 3.08 -1.01 -2.66 114.38 114.37 1fua h ARG 8 Ca 0.11 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1fua h ARG 8 Cb 0.68 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1fua h ARG 8 CO 0.05 0.65 0.50 1.96 -1.07 0.00 0.00 179.97 182.06 1fua h GLN 9 N 0.48 0.99 -0.42 0.04 4.20 -1.40 0.30 115.11 119.30 1fua h GLN 9 Ca 0.12 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.81 1fua h GLN 9 Cb 0.31 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1fua h GLN 9 CO 0.00 0.65 0.18 0.82 -0.67 0.00 0.00 178.83 179.81 1fua h ILE 10 N 1.02 0.92 -0.56 2.54 2.04 -1.35 0.13 117.51 122.25 1fua h ILE 10 Ca 0.28 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 1fua h ILE 10 Cb -0.09 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1fua h ILE 10 CO -0.07 0.07 0.08 0.40 0.00 0.00 0.00 178.15 178.62 1fua h ILE 11 N 0.36 1.26 -0.12 -0.67 2.04 -0.94 -1.31 117.51 118.13 1fua h ILE 11 Ca 0.19 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1fua h ILE 11 Cb 0.14 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1fua h ILE 11 CO -0.16 0.36 -0.08 0.44 0.00 0.00 0.00 178.15 178.71 1fua h ASP 12 N 0.83 0.16 -0.14 1.72 5.19 0.08 -1.69 116.42 122.57 1fua h ASP 12 Ca 0.17 -0.02 -0.19 0.00 -0.62 0.00 0.00 57.03 56.37 1fua h ASP 12 Cb 0.44 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1fua h ASP 12 CO 0.01 0.28 -0.60 0.74 -3.12 0.00 0.00 179.24 176.55 1fua h THR 13 N 0.17 1.29 -0.28 0.35 2.02 -0.04 -1.33 112.91 115.10 1fua h THR 13 Ca 0.04 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 1fua h THR 13 Cb 0.26 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1fua h THR 13 CO 0.01 0.58 0.13 0.00 0.37 0.00 0.00 175.52 176.61 1fua h LEU 15 N 0.31 0.57 -0.76 0.00 4.07 -1.34 -2.28 115.31 115.89 1fua h LEU 15 Ca 0.09 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1fua h LEU 15 Cb 0.12 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1fua h LEU 15 CO -0.01 0.54 0.02 -0.08 -1.08 0.00 0.00 178.44 177.83 1fua h GLU 16 N 0.55 0.97 -0.87 1.13 4.57 -1.06 -0.58 114.58 119.28 1fua h GLU 16 Ca 0.15 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1fua h GLU 16 Cb 0.13 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1fua h GLU 16 CO -0.02 0.94 0.53 1.98 -1.18 0.00 0.00 179.01 181.27 1fua h MET 17 N 0.89 1.18 -0.40 1.92 4.05 -0.54 -0.87 114.93 121.17 1fua h MET 17 Ca 0.17 -0.10 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1fua h MET 17 Cb 0.50 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1fua h MET 17 CO 0.02 0.82 -0.13 1.15 0.23 0.00 0.00 176.91 179.01 1fua h THR 18 N 1.20 1.28 -0.75 -0.77 2.02 -1.13 -0.19 112.91 114.57 1fua h THR 18 Ca 0.31 -1.24 0.10 0.00 0.77 0.00 0.00 66.41 66.35 1fua h THR 18 Cb -0.06 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1fua h THR 18 CO -0.06 0.42 0.40 -0.09 0.37 0.00 0.00 175.52 176.55 1fua h ARG 19 N 0.61 0.65 0.00 6.66 9.65 -0.30 0.12 114.38 131.77 1fua h ARG 19 Ca 0.10 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1fua h ARG 19 Cb 0.67 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1fua h ARG 19 CO 0.05 0.43 0.00 1.28 2.80 0.00 0.00 179.97 184.52 1fua n LEU 20 N -4.82 0.00 0.00 3.80 4.77 -0.41 -4.92 117.00 115.42 1fua n LEU 20 Ca 0.12 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1fua n LEU 20 Cb 0.28 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1fua n LEU 20 CO 0.25 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1fua n GLY 21 N 1.09 0.41 0.13 -0.72 0.00 0.43 -4.93 105.19 101.60 1fua n GLY 21 Ca 0.06 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1fua n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fua h LEU 22 N 0.00 0.00 -6.88 0.99 3.38 -1.24 -3.41 115.31 108.15 1fua h LEU 22 Ca 0.00 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 1fua h LEU 22 Cb 0.32 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.76 1fua h LEU 22 CO 0.00 0.07 0.49 -3.20 0.09 0.00 0.00 178.44 175.89 1fua n ASN 23 N -2.78 5.82 -4.75 -0.43 5.15 -1.19 -3.26 115.26 113.82 1fua n ASN 23 Ca -0.00 -3.37 -0.36 0.00 -0.60 0.00 0.00 54.58 50.25 1fua n ASN 23 Cb 0.58 -1.17 -0.08 0.00 -0.53 0.00 0.00 39.78 38.57 1fua n ASN 23 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1fua s GLN 24 N -2.54 3.36 -0.44 1.20 -0.21 -1.26 -4.02 119.66 115.75 1fua s GLN 24 Ca 0.32 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.41 1fua s GLN 24 Cb 0.04 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1fua s GLN 24 CO 0.06 0.65 0.00 0.41 -2.12 0.00 0.00 175.29 174.29 1fua n GLY 25 N 2.36 0.48 3.03 3.09 0.00 -1.26 -4.19 105.19 108.70 1fua n GLY 25 Ca -0.19 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1fua n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fua n THR 26 N -3.40 -0.11 0.12 2.61 -2.24 -1.26 -4.84 114.28 105.17 1fua n THR 26 Ca -0.05 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1fua n THR 26 Cb 0.33 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1fua n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fua n ALA 27 N -0.78 2.45 -1.75 6.98 0.00 -1.26 -5.04 120.51 121.11 1fua n ALA 27 Ca -0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1fua n ALA 27 Cb 0.02 -0.12 0.09 0.00 0.00 0.00 0.00 19.45 19.45 1fua n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fua s GLY 28 N -0.35 1.60 -0.04 0.00 0.00 -1.26 -4.74 107.32 102.53 1fua s GLY 28 Ca 0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 1fua s GLY 28 CO 0.04 0.01 0.33 0.54 0.00 0.00 0.00 173.10 174.02 1fua s ASN 29 N -4.27 -0.24 0.01 1.64 2.20 -0.66 -4.98 114.94 108.64 1fua s ASN 29 Ca 0.61 0.23 0.02 0.00 -0.94 0.00 0.00 52.86 52.78 1fua s ASN 29 Cb -0.13 0.40 -0.01 0.00 -2.00 0.00 0.00 41.25 39.52 1fua s ASN 29 CO 0.52 -0.38 -0.06 -0.69 -2.94 0.00 0.00 177.10 173.55 1fua s VAL 30 N -1.01 0.44 0.06 3.54 1.01 -1.26 -1.06 120.40 122.12 1fua s VAL 30 Ca -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1fua s VAL 30 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1fua s VAL 30 CO 0.04 0.01 -0.02 -0.94 0.00 0.00 0.00 175.10 174.19 1fua s SER 31 N -0.42 0.49 0.07 3.32 1.04 -0.53 -2.43 113.70 115.23 1fua s SER 31 Ca -0.00 -1.03 0.05 0.00 0.48 0.00 0.00 55.95 55.44 1fua s SER 31 Cb -0.04 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1fua s SER 31 CO -0.00 -0.61 -0.13 0.68 0.98 0.00 0.00 173.24 174.16 1fua s VAL 32 N -3.93 1.04 0.17 5.02 -7.23 -0.66 -1.50 120.40 113.31 1fua s VAL 32 Ca 0.10 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1fua s VAL 32 Cb 0.08 -1.07 -0.08 0.00 0.56 0.00 0.00 36.38 35.87 1fua s VAL 32 CO -0.08 -0.30 1.16 -0.60 -0.31 0.00 0.00 175.10 174.98 1fua s ARG 33 N -1.90 4.52 -0.20 4.82 3.52 -0.04 -1.64 118.95 128.03 1fua s ARG 33 Ca -0.01 1.81 -0.11 0.00 -0.13 0.00 0.00 55.73 57.29 1fua s ARG 33 Cb -0.09 -3.26 0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1fua s ARG 33 CO 0.02 -0.05 0.49 -0.47 -0.81 0.00 0.00 175.30 174.48 1fua s TYR 34 N -0.02 -0.75 0.00 5.12 5.04 -0.75 -4.85 117.35 121.14 1fua s TYR 34 Ca 0.52 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.70 1fua s TYR 34 Cb -0.31 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1fua s TYR 34 CO 0.35 -0.40 0.00 1.04 -1.34 0.00 0.00 175.55 175.20 1fua n GLN 35 N 4.31 0.00 -0.44 4.97 6.02 -1.26 0.08 117.38 131.06 1fua n GLN 35 Ca -0.22 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.84 1fua n GLN 35 Cb 0.56 0.00 0.26 0.00 1.02 0.00 0.00 30.24 32.09 1fua n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1fua n ASP 36 N 3.28 3.57 0.00 1.08 5.75 -1.26 -4.89 116.55 124.07 1fua n ASP 36 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1fua n ASP 36 Cb 0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1fua n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fua n GLY 37 N 0.98 2.76 3.56 6.12 0.00 0.11 -2.02 105.19 116.69 1fua n GLY 37 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1fua n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fua s MET 38 N 2.68 1.33 -0.13 1.61 0.23 -0.79 -1.82 119.30 122.42 1fua s MET 38 Ca 0.00 -0.58 -0.03 0.00 -1.03 0.00 0.00 55.69 54.05 1fua s MET 38 Cb 0.00 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 33.83 1fua s MET 38 CO 0.00 -0.59 -0.03 -0.51 -2.03 0.00 0.00 175.02 171.85 1fua s LEU 39 N -2.77 3.30 0.07 0.18 1.43 -0.65 -1.68 118.68 118.56 1fua s LEU 39 Ca 0.05 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1fua s LEU 39 Cb -0.02 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1fua s LEU 39 CO -0.07 0.23 -0.05 -0.51 0.23 0.00 0.00 176.35 176.19 1fua s ILE 40 N -0.02 0.41 0.53 -0.59 2.07 -0.17 -1.65 121.20 121.78 1fua s ILE 40 Ca 0.01 -1.82 -0.20 0.00 -1.41 0.00 0.00 60.65 57.23 1fua s ILE 40 Cb -0.13 -1.53 -0.06 0.00 0.13 0.00 0.00 42.46 40.87 1fua s ILE 40 CO 0.03 -0.92 1.17 0.42 -1.91 0.00 0.00 174.94 173.72 1fua s THR 41 N -3.67 2.99 0.74 4.00 -4.23 -1.02 -1.18 115.64 113.26 1fua s THR 41 Ca 0.08 0.66 -0.08 0.00 -1.18 0.00 0.00 61.69 61.16 1fua s THR 41 Cb 0.06 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.67 1fua s THR 41 CO -0.07 -0.09 1.07 -2.16 -0.54 0.00 0.00 174.62 172.82 1fua s PRO 42 N -3.10 2.14 0.52 3.99 0.04 -1.26 -1.53 135.00 135.80 1fua s PRO 42 Ca 0.71 -0.13 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 1fua s PRO 42 Cb -0.27 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1fua s PRO 42 CO 0.31 -1.34 0.82 -0.08 0.04 0.00 0.00 177.00 176.75 1fua s THR 43 N -3.35 4.26 0.00 1.26 -1.32 -0.61 -4.33 115.64 111.55 1fua s THR 43 Ca 0.61 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 1fua s THR 43 Cb -0.11 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1fua s THR 43 CO 0.46 -0.62 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1fua n GLY 44 N -2.37 1.82 3.65 6.08 0.00 -1.26 -4.92 105.19 108.18 1fua n GLY 44 Ca 0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1fua n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fua s ILE 45 N 0.00 3.09 0.24 -0.61 1.01 -1.26 -4.94 121.20 118.73 1fua s ILE 45 Ca 0.00 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 1fua s ILE 45 Cb 0.00 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 1fua s ILE 45 CO 0.00 -0.02 1.36 -2.16 0.00 0.00 0.00 174.94 174.12 1fua s PRO 46 N 4.86 4.34 0.44 2.79 0.04 -1.26 -4.88 135.00 141.32 1fua s PRO 46 Ca 0.89 2.18 0.35 0.00 0.04 0.00 0.00 61.00 64.46 1fua s PRO 46 Cb -0.39 -3.14 1.44 0.00 0.04 0.00 0.00 34.50 32.45 1fua s PRO 46 CO 0.39 -0.31 1.44 2.48 0.04 0.00 0.00 177.00 181.04 1fua n TYR 47 N 2.22 0.45 0.75 0.56 4.11 -1.26 -0.49 117.16 123.50 1fua n TYR 47 Ca 0.05 0.45 0.11 0.00 -0.00 0.00 0.00 57.90 58.52 1fua n TYR 47 Cb 0.42 -0.89 0.48 0.00 -0.00 0.00 0.00 39.34 39.35 1fua n TYR 47 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1fua n GLU 48 N -4.31 0.03 -0.05 -3.48 0.00 -1.26 -2.21 120.64 109.36 1fua n GLU 48 Ca 0.38 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.78 1fua n GLU 48 Cb 1.58 -1.54 0.12 0.00 0.00 0.00 0.00 31.44 31.59 1fua n GLU 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1fua n LYS 49 N -1.59 2.06 -2.27 3.44 4.76 0.36 -4.99 118.16 119.93 1fua n LYS 49 Ca 0.05 -1.88 -0.42 0.00 -2.87 0.00 0.00 58.31 53.19 1fua n LYS 49 Cb 0.27 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 1fua n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1fua s LEU 50 N -1.65 4.35 0.20 -0.35 1.43 -0.94 -4.99 118.68 116.74 1fua s LEU 50 Ca 0.28 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.63 1fua s LEU 50 Cb 0.18 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.78 1fua s LEU 50 CO 0.27 -0.61 -0.18 0.42 0.23 0.00 0.00 176.35 176.48 1fua s THR 51 N 1.46 1.97 0.33 5.49 -4.23 -1.26 -5.03 115.64 114.38 1fua s THR 51 Ca 0.62 -2.12 0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1fua s THR 51 Cb -0.33 -2.02 0.32 0.00 1.34 0.00 0.00 72.50 71.81 1fua s THR 51 CO 0.29 -0.41 1.68 -0.33 -0.54 0.00 0.00 174.62 175.32 1fua h GLU 52 N 2.83 0.39 0.00 3.99 3.07 -1.95 0.59 114.58 123.51 1fua h GLU 52 Ca -0.41 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1fua h GLU 52 Cb 1.22 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1fua h GLU 52 CO 0.56 0.26 0.00 0.43 -1.40 0.00 0.00 179.01 178.86 1fua n SER 53 N -5.01 0.00 0.06 1.42 7.64 -1.26 -2.47 113.62 114.00 1fua n SER 53 Ca 0.29 0.45 0.01 0.00 1.01 0.00 0.00 58.87 60.63 1fua n SER 53 Cb 0.88 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1fua n SER 53 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1fua h HIS 54 N 0.00 0.00 -3.33 1.43 3.86 -1.28 -3.47 115.15 112.36 1fua h HIS 54 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1fua h HIS 54 Cb 0.13 0.00 0.08 0.00 1.06 0.00 0.00 27.41 28.68 1fua h HIS 54 CO 0.00 0.55 0.88 0.42 0.86 0.00 0.00 177.93 180.65 1fua s ILE 55 N -2.94 2.09 -0.13 2.45 -1.09 -1.03 -4.27 121.20 116.28 1fua s ILE 55 Ca -0.01 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1fua s ILE 55 Cb 0.08 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1fua s ILE 55 CO 0.79 0.01 0.00 -0.69 -1.23 0.00 0.00 174.94 173.83 1fua s VAL 56 N -0.01 4.28 -0.14 2.92 1.01 -0.32 -4.91 120.40 123.23 1fua s VAL 56 Ca 0.63 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 1fua s VAL 56 Cb -0.48 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1fua s VAL 56 CO 0.48 0.54 0.34 0.12 0.00 0.00 0.00 175.10 176.58 1fua s PHE 57 N -0.20 3.49 -0.08 5.22 5.36 -1.26 -1.00 117.98 129.51 1fua s PHE 57 Ca 0.05 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 56.74 1fua s PHE 57 Cb -0.12 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 1fua s PHE 57 CO 0.02 0.24 -0.19 0.42 -1.46 0.00 0.00 175.22 174.25 1fua s ILE 58 N 0.43 1.70 0.67 3.12 1.01 -0.68 -1.31 121.20 126.14 1fua s ILE 58 Ca 0.19 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1fua s ILE 58 Cb -0.14 -1.49 0.15 0.00 0.01 0.00 0.00 42.46 40.99 1fua s ILE 58 CO 0.06 0.48 0.92 -0.90 0.00 0.00 0.00 174.94 175.49 1fua n ASP 59 N 3.61 0.45 0.22 3.58 5.68 -0.52 -1.88 116.55 127.69 1fua n ASP 59 Ca -0.20 -1.57 0.16 0.00 -0.50 0.00 0.00 54.79 52.68 1fua n ASP 59 Cb 0.52 -0.67 0.70 0.00 -1.14 0.00 0.00 41.12 40.54 1fua n ASP 59 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1fua h GLY 60 N -0.99 0.00 1.38 6.12 0.00 -1.75 -2.26 103.07 105.57 1fua h GLY 60 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1fua h GLY 60 CO 0.25 0.00 -0.29 0.70 0.00 0.00 0.00 176.54 177.19 1fua n ASN 61 N -2.69 0.31 0.00 0.19 3.02 -1.26 -4.93 115.26 109.90 1fua n ASN 61 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1fua n ASN 61 Cb 0.20 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1fua n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fua n GLY 62 N 1.49 0.74 3.69 7.41 0.00 -0.85 -5.05 105.19 112.62 1fua n GLY 62 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1fua n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fua s LYS 63 N -0.68 4.32 0.29 1.61 2.20 -1.26 -4.85 119.74 121.37 1fua s LYS 63 Ca 0.00 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.37 1fua s LYS 63 Cb 0.00 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1fua s LYS 63 CO 0.00 -0.07 0.37 -3.38 -0.36 0.00 0.00 175.35 171.91 1fua s HIS 64 N 1.32 3.20 0.48 4.03 -3.43 -1.26 -1.44 115.29 118.18 1fua s HIS 64 Ca 0.32 -0.15 -0.22 0.00 -0.80 0.00 0.00 55.06 54.21 1fua s HIS 64 Cb -0.16 -1.74 -0.09 0.00 -1.43 0.00 0.00 32.58 29.15 1fua s HIS 64 CO 0.13 0.24 0.93 0.39 -2.00 0.00 0.00 174.74 174.43 1fua n GLU 65 N -1.46 1.13 -2.07 -0.38 1.02 -0.42 -4.89 120.64 113.56 1fua n GLU 65 Ca -0.04 0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 57.09 1fua n GLU 65 Cb 0.58 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1fua n GLU 65 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1fua s GLU 66 N -2.16 4.30 0.00 3.49 -6.30 -1.26 -2.96 118.70 113.80 1fua s GLU 66 Ca 0.66 2.23 0.00 0.00 -2.50 0.00 0.00 54.97 55.36 1fua s GLU 66 Cb -0.52 -3.14 0.00 0.00 0.00 0.00 0.00 34.13 30.47 1fua s GLU 66 CO 0.54 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.84 1fua n GLY 67 N 2.47 0.66 3.08 -1.50 0.00 -1.26 -5.03 105.19 103.61 1fua n GLY 67 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1fua n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fua s LYS 68 N -0.04 1.66 -0.26 1.61 1.02 -1.16 -5.12 119.74 117.45 1fua s LYS 68 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 1fua s LYS 68 Cb 0.00 -1.42 -0.05 0.00 -0.52 0.00 0.00 37.83 35.85 1fua s LYS 68 CO 0.00 0.14 0.16 -0.51 -0.92 0.00 0.00 175.35 174.22 1fua s LEU 69 N 0.29 3.92 0.81 3.17 2.01 -1.26 -4.70 118.68 122.92 1fua s LEU 69 Ca -0.08 -0.02 -0.12 0.00 0.01 0.00 0.00 54.13 53.92 1fua s LEU 69 Cb -0.13 -2.08 0.08 0.00 0.01 0.00 0.00 46.19 44.08 1fua s LEU 69 CO 0.03 -0.02 1.15 -2.16 1.01 0.00 0.00 176.35 176.36 1fua s PRO 70 N 1.57 1.96 0.44 1.29 0.04 -1.26 -1.57 135.00 137.46 1fua s PRO 70 Ca 0.07 0.23 -0.22 0.00 0.04 0.00 0.00 61.00 61.12 1fua s PRO 70 Cb -0.15 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1fua s PRO 70 CO 0.08 -1.62 0.70 0.45 0.04 0.00 0.00 177.00 176.65 1fua n SER 71 N -3.36 -0.19 0.23 6.66 2.88 -0.58 -3.51 113.62 115.74 1fua n SER 71 Ca 0.07 0.92 0.16 0.00 -1.33 0.00 0.00 58.87 58.70 1fua n SER 71 Cb 0.60 -1.20 0.70 0.00 -0.75 0.00 0.00 64.21 63.56 1fua n SER 71 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1fua h SER 72 N 0.94 0.00 -0.58 -3.46 4.64 -1.90 -2.53 113.55 110.66 1fua h SER 72 Ca -0.42 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 1fua h SER 72 Cb 1.38 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.43 1fua h SER 72 CO 0.53 0.00 0.08 -0.62 -0.87 0.00 0.00 176.83 175.94 1fua n GLU 73 N -2.73 4.26 -0.04 4.77 1.02 -1.26 -4.42 120.64 122.25 1fua n GLU 73 Ca 0.00 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 1fua n GLU 73 Cb 0.21 -2.19 0.31 0.00 -0.02 0.00 0.00 31.44 29.75 1fua n GLU 73 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1fua h TRP 74 N 3.28 0.62 -0.95 -0.32 5.08 -1.80 -3.16 115.95 118.69 1fua h TRP 74 Ca 0.08 -0.04 0.19 0.00 1.08 0.00 0.00 58.89 60.20 1fua h TRP 74 Cb 2.01 -0.19 -0.08 0.00 -3.00 0.00 0.00 29.16 27.90 1fua h TRP 74 CO 1.07 0.52 0.60 0.00 -1.28 0.00 0.00 178.44 179.36 1fua h ARG 75 N 0.60 0.60 0.00 0.12 3.08 -1.87 -1.01 114.38 115.91 1fua h ARG 75 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1fua h ARG 75 Cb 0.19 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1fua h ARG 75 CO -0.01 0.40 -0.11 1.97 -1.07 0.00 0.00 179.97 181.15 1fua n PHE 76 N -4.61 0.55 -0.01 3.04 1.16 -1.19 -1.96 117.46 114.43 1fua n PHE 76 Ca 0.21 0.16 -0.17 0.00 -1.87 0.00 0.00 57.45 55.77 1fua n PHE 76 Cb 0.60 -0.73 -0.09 0.00 -1.61 0.00 0.00 39.48 37.65 1fua n PHE 76 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1fua h HIS 77 N 0.00 0.88 -0.16 2.97 3.86 -1.33 -0.96 115.15 120.40 1fua h HIS 77 Ca 0.00 -0.41 -0.10 0.00 -1.16 0.00 0.00 60.37 58.70 1fua h HIS 77 Cb 0.65 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1fua h HIS 77 CO 0.00 1.22 -0.33 1.98 0.86 0.00 0.00 177.93 181.66 1fua h MET 78 N 0.29 0.33 -0.40 2.45 1.85 -1.37 -2.27 114.93 115.80 1fua h MET 78 Ca -0.06 -0.14 -0.08 0.00 -0.61 0.00 0.00 59.70 58.81 1fua h MET 78 Cb 1.33 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.34 1fua h MET 78 CO 0.14 0.63 -0.08 0.00 -0.40 0.00 0.00 176.91 177.20 1fua h ALA 79 N 1.37 0.55 -0.44 0.39 0.00 -1.29 -2.27 119.26 117.57 1fua h ALA 79 Ca 0.04 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1fua h ALA 79 Cb 0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1fua h ALA 79 CO 0.06 0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.92 1fua h ALA 80 N 0.85 0.55 -0.61 0.00 0.00 -0.88 0.29 119.26 119.47 1fua h ALA 80 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1fua h ALA 80 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1fua h ALA 80 CO 0.04 -0.15 0.29 1.88 0.00 0.00 0.00 179.25 181.31 1fua h TYR 81 N 0.42 0.85 0.00 0.00 0.05 -1.27 0.13 116.97 117.15 1fua h TYR 81 Ca 0.20 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1fua h TYR 81 Cb 0.12 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.59 1fua h TYR 81 CO -0.11 0.63 -0.39 1.96 -1.05 0.00 0.00 178.16 179.20 1fua h GLN 82 N 0.86 0.00 0.07 4.88 4.20 -0.93 -3.31 115.11 120.88 1fua h GLN 82 Ca 0.21 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.59 1fua h GLN 82 Cb 0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1fua h GLN 82 CO -0.03 0.00 -1.85 0.45 -0.67 0.00 0.00 178.83 176.73 1fua n SER 83 N -2.35 1.54 -3.91 1.46 2.88 0.05 -4.66 113.62 108.63 1fua n SER 83 Ca 0.04 0.32 -0.30 0.00 -1.33 0.00 0.00 58.87 57.59 1fua n SER 83 Cb 0.46 -0.50 -0.14 0.00 -0.75 0.00 0.00 64.21 63.28 1fua n SER 83 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1fua s ARG 84 N -2.58 1.68 0.31 -1.46 0.52 0.39 -4.86 118.95 112.95 1fua s ARG 84 Ca -0.14 -2.28 0.06 0.00 -0.52 0.00 0.00 55.73 52.85 1fua s ARG 84 Cb 0.07 -3.04 0.74 0.00 0.52 0.00 0.00 34.95 33.24 1fua s ARG 84 CO 0.80 -1.08 1.79 -1.35 0.02 0.00 0.00 175.30 175.47 1fua h PRO 85 N 6.84 0.75 0.00 3.54 0.11 -1.83 0.17 132.00 141.57 1fua h PRO 85 Ca -0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1fua h PRO 85 Cb 0.93 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1fua h PRO 85 CO 0.60 0.50 0.00 -0.40 -0.21 0.00 0.00 178.00 178.49 1fua n ASP 86 N -4.74 0.55 -4.70 -2.05 5.75 -1.26 -4.76 116.55 105.34 1fua n ASP 86 Ca 0.23 0.63 -0.42 0.00 -0.01 0.00 0.00 54.79 55.22 1fua n ASP 86 Cb 0.56 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.87 1fua n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fua s ALA 87 N -3.25 3.49 -0.24 2.12 0.00 0.58 -4.51 121.76 119.94 1fua s ALA 87 Ca 0.05 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.82 1fua s ALA 87 Cb 0.09 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1fua s ALA 87 CO 0.37 -0.69 0.24 0.09 0.00 0.00 0.00 175.76 175.77 1fua n ASN 88 N 4.81 0.37 -3.79 0.00 3.02 0.11 -4.83 115.26 114.95 1fua n ASN 88 Ca 0.11 -0.69 -0.13 0.00 -0.03 0.00 0.00 54.58 53.84 1fua n ASN 88 Cb 0.45 0.84 -0.10 0.00 -0.61 0.00 0.00 39.78 40.36 1fua n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fua s ALA 89 N -1.20 -0.65 -0.04 5.41 0.00 -0.73 -0.86 121.76 123.69 1fua s ALA 89 Ca 0.02 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1fua s ALA 89 Cb 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1fua s ALA 89 CO 0.14 -0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 1fua s VAL 90 N -0.61 0.81 -0.12 0.00 1.01 -0.56 -2.15 120.40 118.78 1fua s VAL 90 Ca -0.07 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1fua s VAL 90 Cb -0.04 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1fua s VAL 90 CO 0.02 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 1fua s VAL 91 N 0.40 1.78 0.00 2.92 1.01 -0.23 -1.45 120.40 124.84 1fua s VAL 91 Ca -0.07 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1fua s VAL 91 Cb -0.11 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1fua s VAL 91 CO 0.01 0.50 -0.21 -2.28 0.00 0.00 0.00 175.10 173.12 1fua s HIS 92 N 0.89 1.84 0.33 5.22 5.04 -0.23 -1.17 115.29 127.20 1fua s HIS 92 Ca -0.07 -0.36 -0.18 0.00 -1.54 0.00 0.00 55.06 52.91 1fua s HIS 92 Cb -0.15 -1.15 0.03 0.00 0.04 0.00 0.00 32.58 31.35 1fua s HIS 92 CO -0.02 0.01 0.74 0.54 -2.34 0.00 0.00 174.74 173.68 1fua s ASN 93 N -0.72 -0.12 -0.43 9.88 2.20 -0.76 -1.65 114.94 123.33 1fua s ASN 93 Ca 0.08 -0.87 0.05 0.00 -0.94 0.00 0.00 52.86 51.17 1fua s ASN 93 Cb -0.08 0.78 0.43 0.00 -2.00 0.00 0.00 41.25 40.38 1fua s ASN 93 CO 0.00 -1.50 1.26 1.41 -2.94 0.00 0.00 177.10 175.33 1fua n HIS 94 N -0.49 3.16 -1.58 1.54 8.25 -1.26 -1.35 115.22 123.49 1fua n HIS 94 Ca -0.06 -2.76 -0.46 0.00 -0.26 0.00 0.00 57.72 54.18 1fua n HIS 94 Cb 0.60 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 1fua n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fua n ALA 95 N -0.58 -0.53 -0.08 -1.41 0.00 -1.20 -4.75 120.51 111.96 1fua n ALA 95 Ca 0.43 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 54.22 1fua n ALA 95 Cb 0.73 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 1fua n ALA 95 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1fua h VAL 96 N 2.21 0.89 -0.35 0.00 3.04 -1.86 -0.67 116.25 119.51 1fua h VAL 96 Ca -0.40 -0.07 -0.08 0.00 -1.01 0.00 0.00 66.70 65.14 1fua h VAL 96 Cb 1.34 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1fua h VAL 96 CO 0.64 0.04 -0.10 0.45 -1.01 0.00 0.00 177.57 177.59 1fua h HIS 97 N 0.20 0.77 -0.24 3.17 3.86 -1.90 0.22 115.15 121.23 1fua h HIS 97 Ca 0.14 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1fua h HIS 97 Cb 0.13 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1fua h HIS 97 CO -0.15 0.85 0.04 0.00 0.86 0.00 0.00 177.93 179.53 1fua h THR 99 N 0.13 1.22 -0.59 0.00 2.02 -0.88 -1.36 112.91 113.45 1fua h THR 99 Ca 0.11 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1fua h THR 99 Cb 0.11 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1fua h THR 99 CO -0.15 0.25 0.15 0.00 0.37 0.00 0.00 175.52 176.14 1fua h ALA 100 N 1.41 0.78 -0.58 6.16 0.00 -0.54 -1.27 119.26 125.22 1fua h ALA 100 Ca 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1fua h ALA 100 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1fua h ALA 100 CO -0.04 0.48 0.15 0.28 0.00 0.00 0.00 179.25 180.12 1fua h VAL 101 N 0.86 1.23 0.00 0.00 2.07 -1.06 -2.45 116.25 116.89 1fua h VAL 101 Ca 0.19 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1fua h VAL 101 Cb 0.34 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1fua h VAL 101 CO 0.00 0.31 -0.11 0.77 0.02 0.00 0.00 177.57 178.57 1fua h SER 102 N 0.85 0.00 0.44 0.57 4.64 -0.58 -1.55 113.55 117.92 1fua h SER 102 Ca 0.19 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.28 1fua h SER 102 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1fua h SER 102 CO -0.00 0.11 -0.97 0.40 -0.87 0.00 0.00 176.83 175.49 1fua h ILE 103 N 0.00 1.44 0.00 0.95 2.04 -0.79 -2.18 117.51 118.97 1fua h ILE 103 Ca -0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1fua h ILE 103 Cb 0.48 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1fua h ILE 103 CO 0.01 0.76 0.00 0.18 0.00 0.00 0.00 178.15 179.11 1fua n LEU 104 N -3.69 0.51 -3.50 1.44 4.77 -0.66 -4.82 117.00 111.06 1fua n LEU 104 Ca -0.06 0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 1fua n LEU 104 Cb 0.86 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1fua n LEU 104 CO 0.51 -0.30 0.02 -3.20 -1.33 0.00 0.00 177.39 173.09 1fua n ASN 105 N -2.02 -3.02 -4.28 -1.43 5.15 -0.76 -5.03 115.26 103.87 1fua n ASN 105 Ca 0.04 -0.74 -0.23 0.00 -0.60 0.00 0.00 54.58 53.06 1fua n ASN 105 Cb 0.30 -4.65 -0.12 0.00 -0.53 0.00 0.00 39.78 34.78 1fua n ASN 105 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1fua s ARG 106 N -5.40 1.11 0.56 1.20 0.52 -1.19 -5.00 118.95 110.75 1fua s ARG 106 Ca 0.14 -1.18 -0.06 0.00 -0.52 0.00 0.00 55.73 54.12 1fua s ARG 106 Cb -0.03 -1.30 -0.00 0.00 0.52 0.00 0.00 34.95 34.14 1fua s ARG 106 CO 0.77 0.30 0.87 -1.12 0.02 0.00 0.00 175.30 176.14 1fua s SER 107 N -2.01 5.75 -0.33 0.23 0.01 -1.26 -4.51 113.70 111.57 1fua s SER 107 Ca 0.07 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 57.93 1fua s SER 107 Cb -0.09 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 1fua s SER 107 CO 0.04 -0.95 0.41 -0.63 0.41 0.00 0.00 173.24 172.52 1fua s ILE 108 N -2.93 5.13 0.99 1.44 1.01 0.18 -4.92 121.20 122.09 1fua s ILE 108 Ca 0.52 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 1fua s ILE 108 Cb -0.10 -3.84 0.21 0.00 0.01 0.00 0.00 42.46 38.74 1fua s ILE 108 CO 0.45 -0.08 1.31 -2.16 0.00 0.00 0.00 174.94 174.46 1fua s PRO 109 N 2.14 0.42 -1.21 2.79 0.04 -1.26 -1.60 135.00 136.32 1fua s PRO 109 Ca 0.14 -0.40 -0.18 0.00 0.04 0.00 0.00 61.00 60.60 1fua s PRO 109 Cb -0.16 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1fua s PRO 109 CO 0.12 -2.56 2.02 0.00 0.04 0.00 0.00 177.00 176.61 1fua n ALA 110 N -3.87 4.10 0.49 8.56 0.00 -1.18 -4.60 120.51 124.01 1fua n ALA 110 Ca 0.15 -3.62 0.12 0.00 0.00 0.00 0.00 53.44 50.09 1fua n ALA 110 Cb 0.59 -3.57 0.15 0.00 0.00 0.00 0.00 19.45 16.61 1fua n ALA 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1fua h ILE 111 N 4.69 0.00 -3.37 0.00 3.07 -1.92 0.24 117.51 120.23 1fua h ILE 111 Ca 0.46 -0.58 -0.15 0.00 1.55 0.00 0.00 64.86 66.14 1fua h ILE 111 Cb 0.73 1.17 -0.22 0.00 -0.27 0.00 0.00 36.82 38.22 1fua h ILE 111 CO 1.75 0.00 -0.46 -2.28 -1.05 0.00 0.00 178.15 176.11 1fua s HIS 112 N -3.20 -0.07 0.36 0.16 5.04 -1.26 -4.85 115.29 111.47 1fua s HIS 112 Ca 0.05 0.13 0.35 0.00 -1.54 0.00 0.00 55.06 54.05 1fua s HIS 112 Cb 0.12 0.01 1.71 0.00 0.04 0.00 0.00 32.58 34.46 1fua s HIS 112 CO 0.73 -0.25 2.12 0.10 -2.34 0.00 0.00 174.74 175.11 1fua h TYR 113 N 4.69 0.00 0.00 3.88 -0.00 -1.99 -2.47 116.97 121.07 1fua h TYR 113 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.44 1fua h TYR 113 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 1fua h TYR 113 CO 0.53 0.04 0.00 -1.33 -0.00 0.00 0.00 178.16 177.40 1fua n MET 114 N -3.24 0.11 0.20 0.10 2.81 -1.26 -2.49 117.12 113.35 1fua n MET 114 Ca -0.01 0.21 0.14 0.00 -1.81 0.00 0.00 57.70 56.23 1fua n MET 114 Cb 0.22 -1.50 0.76 0.00 -0.71 0.00 0.00 33.22 31.99 1fua n MET 114 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1fua h ILE 115 N 0.00 0.70 0.00 2.02 6.09 -1.77 -0.74 117.51 123.81 1fua h ILE 115 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1fua h ILE 115 Cb 0.18 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.37 1fua h ILE 115 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1fua h ALA 116 N 1.88 1.00 -0.07 0.18 0.00 -1.53 -2.87 119.26 117.85 1fua h ALA 116 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fua h ALA 116 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fua h ALA 116 CO -0.00 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.32 1fua h ALA 117 N 2.01 1.72 -0.06 0.00 0.00 -1.38 -0.10 119.26 121.45 1fua h ALA 117 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fua h ALA 117 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1fua h ALA 117 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1fua n ALA 118 N -2.38 2.56 0.00 0.00 0.00 -1.08 -4.93 120.51 114.68 1fua n ALA 118 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1fua n ALA 118 Cb 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1fua n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fua n GLY 119 N 1.17 0.66 0.00 0.00 0.00 -0.05 -1.44 105.19 105.53 1fua n GLY 119 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fua n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fua n GLY 120 N -1.13 3.34 1.83 -0.02 0.00 -1.26 -4.97 105.19 102.98 1fua n GLY 120 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.53 1fua n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fua n ASN 121 N 0.00 5.11 -3.67 1.61 6.94 -1.26 -3.54 115.26 120.44 1fua n ASN 121 Ca 0.00 -2.94 -0.02 0.00 -0.02 0.00 0.00 54.58 51.60 1fua n ASN 121 Cb 0.00 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 36.72 1fua n ASN 121 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1fua s SER 122 N -0.76 -0.13 -0.26 0.53 1.04 -1.26 -3.09 113.70 109.77 1fua s SER 122 Ca 0.50 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1fua s SER 122 Cb 0.39 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.90 1fua s SER 122 CO 0.14 -0.59 -0.09 -0.63 0.98 0.00 0.00 173.24 173.05 1fua s ILE 123 N -2.86 2.00 0.92 -1.02 -1.09 -0.63 -4.88 121.20 113.65 1fua s ILE 123 Ca 0.13 -1.56 -0.12 0.00 -2.23 0.00 0.00 60.65 56.86 1fua s ILE 123 Cb 0.01 -2.17 0.14 0.00 -1.58 0.00 0.00 42.46 38.87 1fua s ILE 123 CO -0.01 -0.08 1.13 -2.16 -1.23 0.00 0.00 174.94 172.58 1fua s PRO 124 N 1.17 1.04 -0.22 2.79 0.04 -1.26 -0.65 135.00 137.91 1fua s PRO 124 Ca -0.07 0.35 0.01 0.00 0.04 0.00 0.00 61.00 61.32 1fua s PRO 124 Cb -0.20 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.58 1fua s PRO 124 CO -0.06 -2.27 -0.06 0.00 0.04 0.00 0.00 177.00 174.65 1fua s ALA 126 N 1.43 3.35 0.74 0.00 0.00 -0.11 -4.86 121.76 122.32 1fua s ALA 126 Ca -0.04 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 1fua s ALA 126 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1fua s ALA 126 CO -0.07 -0.03 1.06 -2.30 0.00 0.00 0.00 175.76 174.42 1fua n PRO 127 N 1.16 0.47 -2.31 0.00 -0.02 -1.26 -1.19 135.00 131.86 1fua n PRO 127 Ca -0.01 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 1fua n PRO 127 Cb 0.46 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1fua n PRO 127 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1fua s TYR 128 N -1.86 3.34 -0.07 6.00 5.04 -1.26 -4.58 117.35 123.95 1fua s TYR 128 Ca 0.74 1.53 -0.19 0.00 -2.44 0.00 0.00 57.07 56.71 1fua s TYR 128 Cb -0.33 -3.47 0.04 0.00 0.35 0.00 0.00 41.96 38.55 1fua s TYR 128 CO 0.50 -1.21 0.45 0.00 -1.34 0.00 0.00 175.55 173.94 1fua s ALA 129 N -0.95 -1.14 0.29 3.97 0.00 -1.26 -5.01 121.76 117.66 1fua s ALA 129 Ca 0.48 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1fua s ALA 129 Cb -0.35 -0.19 -0.14 0.00 0.00 0.00 0.00 23.12 22.45 1fua s ALA 129 CO 0.45 -0.28 1.13 2.41 0.00 0.00 0.00 175.76 179.47 1fua n THR 130 N 1.62 1.84 -1.63 0.00 -1.04 -1.26 -4.81 114.28 109.00 1fua n THR 130 Ca -0.19 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.00 1fua n THR 130 Cb 0.56 -1.19 0.08 0.00 -1.82 0.00 0.00 70.33 67.96 1fua n THR 130 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1fua s PHE 131 N -0.93 2.07 0.00 -1.42 -0.71 -1.26 -2.87 117.98 112.86 1fua s PHE 131 Ca 0.59 1.53 0.00 0.00 -1.04 0.00 0.00 56.93 58.02 1fua s PHE 131 Cb -0.67 -3.60 0.00 0.00 -1.21 0.00 0.00 43.02 37.54 1fua s PHE 131 CO 0.59 -2.77 0.00 0.41 -1.34 0.00 0.00 175.22 172.12 1fua n GLY 132 N 0.70 0.65 3.96 1.99 0.00 -1.26 -5.01 105.19 106.21 1fua n GLY 132 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1fua n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fua s THR 133 N -2.83 4.69 0.29 2.61 -4.23 -1.14 -4.92 115.64 110.11 1fua s THR 133 Ca 0.00 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1fua s THR 133 Cb 0.00 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1fua s THR 133 CO 0.00 -0.26 1.68 -0.09 -0.54 0.00 0.00 174.62 175.40 1fua h ARG 134 N 1.10 0.22 -0.58 3.99 9.65 -1.95 -2.35 114.38 124.47 1fua h ARG 134 Ca -0.49 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.21 1fua h ARG 134 Cb 1.24 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 1fua h ARG 134 CO 0.58 0.63 0.12 1.49 2.80 0.00 0.00 179.97 185.59 1fua h GLU 135 N 0.18 0.92 -0.44 0.20 4.81 -1.94 -1.02 114.58 117.29 1fua h GLU 135 Ca 0.01 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 1fua h GLU 135 Cb 0.87 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1fua h GLU 135 CO 0.07 0.84 -0.07 1.25 -0.73 0.00 0.00 179.01 180.37 1fua h LEU 136 N 0.88 0.82 -0.81 1.64 6.46 -1.75 -2.47 115.31 120.08 1fua h LEU 136 Ca 0.18 -0.34 0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1fua h LEU 136 Cb 0.35 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 39.98 1fua h LEU 136 CO 0.00 0.97 0.45 0.28 -0.62 0.00 0.00 178.44 179.53 1fua h SER 137 N 0.66 0.63 -0.47 1.25 0.02 -0.85 -1.80 113.55 112.99 1fua h SER 137 Ca 0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1fua h SER 137 Cb 0.59 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1fua h SER 137 CO 0.04 0.35 0.17 -0.33 -1.14 0.00 0.00 176.83 175.92 1fua h GLU 138 N 0.75 0.71 -0.74 3.45 5.08 -0.87 -1.65 114.58 121.31 1fua h GLU 138 Ca 0.40 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1fua h GLU 138 Cb 0.39 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1fua h GLU 138 CO -0.26 0.66 0.49 0.45 -1.00 0.00 0.00 179.01 179.34 1fua h HIS 139 N 0.62 0.92 -0.24 4.33 3.86 -0.98 -1.72 115.15 121.94 1fua h HIS 139 Ca 0.15 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1fua h HIS 139 Cb 0.22 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1fua h HIS 139 CO 0.01 0.56 0.00 0.28 0.86 0.00 0.00 177.93 179.65 1fua h VAL 140 N 0.98 1.25 -0.69 2.45 2.07 -1.18 -2.32 116.25 118.81 1fua h VAL 140 Ca 0.28 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1fua h VAL 140 Cb -0.08 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1fua h VAL 140 CO -0.07 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.23 1fua h ALA 141 N 0.81 0.89 -0.53 1.67 0.00 -1.16 -0.07 119.26 120.88 1fua h ALA 141 Ca 0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1fua h ALA 141 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1fua h ALA 141 CO 0.01 0.24 -0.07 1.25 0.00 0.00 0.00 179.25 180.68 1fua h LEU 142 N 0.88 0.96 -0.75 0.00 5.85 -1.29 -2.87 115.31 118.09 1fua h LEU 142 Ca 0.27 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1fua h LEU 142 Cb -0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1fua h LEU 142 CO -0.08 1.05 -0.27 0.00 -0.34 0.00 0.00 178.44 178.80 1fua h ALA 143 N 1.03 0.93 -0.00 1.25 0.00 -0.83 -3.13 119.26 118.51 1fua h ALA 143 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1fua h ALA 143 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1fua h ALA 143 CO 0.04 0.61 -0.03 1.28 0.00 0.00 0.00 179.25 181.16 1fua n LEU 144 N -4.10 0.16 -0.37 0.00 4.77 -0.09 -4.01 117.00 113.36 1fua n LEU 144 Ca -0.00 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 1fua n LEU 144 Cb 0.44 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1fua n LEU 144 CO 0.44 0.03 1.27 0.11 -1.33 0.00 0.00 177.39 177.91 1fua h LYS 145 N 0.20 1.17 0.00 3.23 1.57 -1.45 -3.18 116.57 118.12 1fua h LYS 145 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1fua h LYS 145 Cb 0.24 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1fua h LYS 145 CO 0.00 0.78 -0.05 0.27 -0.57 0.00 0.00 179.45 179.87 1fua n ASN 146 N -4.48 1.90 -3.89 0.86 6.94 -1.26 -5.03 115.26 110.30 1fua n ASN 146 Ca 0.15 -2.59 -0.10 0.00 -0.02 0.00 0.00 54.58 52.02 1fua n ASN 146 Cb 0.15 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.21 1fua n ASN 146 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1fua s ARG 147 N -1.95 0.62 0.00 -3.83 1.81 -1.20 -4.68 118.95 109.73 1fua s ARG 147 Ca 0.19 -0.67 0.23 0.00 -1.72 0.00 0.00 55.73 53.75 1fua s ARG 147 Cb 0.16 0.25 0.14 0.00 -0.45 0.00 0.00 34.95 35.05 1fua s ARG 147 CO 0.02 -0.16 1.16 1.63 -0.68 0.00 0.00 175.30 177.26 1fua n LYS 148 N 0.80 0.13 -3.87 3.54 5.02 -0.52 -4.46 118.16 118.79 1fua n LYS 148 Ca -0.19 -0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 55.89 1fua n LYS 148 Cb 0.58 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 1fua n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fua s ALA 149 N -2.94 -0.29 -0.01 7.82 0.00 -1.26 -0.15 121.76 124.93 1fua s ALA 149 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1fua s ALA 149 Cb 0.17 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1fua s ALA 149 CO 0.76 -0.18 0.26 -0.08 0.00 0.00 0.00 175.76 176.52 1fua s THR 150 N -1.14 0.06 0.42 0.00 -1.32 -0.55 -4.45 115.64 108.67 1fua s THR 150 Ca -0.12 -0.53 -0.04 0.00 -1.21 0.00 0.00 61.69 59.79 1fua s THR 150 Cb -0.07 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1fua s THR 150 CO 0.01 -0.29 0.69 -0.76 -2.21 0.00 0.00 174.62 172.06 1fua s LEU 151 N -1.32 3.79 -0.13 9.08 1.43 0.17 -1.84 118.68 129.87 1fua s LEU 151 Ca -0.14 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1fua s LEU 151 Cb -0.06 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1fua s LEU 151 CO 0.03 -0.45 -0.15 -0.76 0.23 0.00 0.00 176.35 175.25 1fua s LEU 152 N -4.49 1.73 0.13 1.79 1.02 0.76 -0.93 118.68 118.69 1fua s LEU 152 Ca 0.45 -0.46 -0.35 0.00 0.02 0.00 0.00 54.13 53.79 1fua s LEU 152 Cb -0.10 -1.15 -0.15 0.00 0.02 0.00 0.00 46.19 44.82 1fua s LEU 152 CO 0.40 -0.01 1.52 1.67 0.02 0.00 0.00 176.35 179.96 1fua n GLN 153 N 4.41 1.84 -2.80 1.70 7.27 -0.33 -1.84 117.38 127.63 1fua n GLN 153 Ca -0.18 0.67 -0.21 0.00 0.07 0.00 0.00 57.00 57.35 1fua n GLN 153 Cb 0.51 -2.40 0.01 0.00 2.41 0.00 0.00 30.24 30.77 1fua n GLN 153 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1fua n HIS 154 N 3.27 -1.59 0.08 3.69 8.25 -0.85 -4.44 115.22 123.64 1fua n HIS 154 Ca 0.18 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1fua n HIS 154 Cb 0.26 -3.85 0.00 0.00 1.12 0.00 0.00 29.99 27.51 1fua n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1fua n HIS 155 N -4.11 -2.05 0.00 4.41 -0.00 -0.76 -5.01 115.22 107.69 1fua n HIS 155 Ca -0.14 0.41 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 1fua n HIS 155 Cb 0.63 1.14 0.00 0.00 -0.00 0.00 0.00 29.99 31.75 1fua n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1fua n GLY 156 N 0.38 -0.57 2.98 1.57 0.00 -0.88 -4.72 105.19 103.95 1fua n GLY 156 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1fua n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fua s LEU 157 N 0.00 2.18 -0.07 0.99 1.98 -0.46 -0.17 118.68 123.14 1fua s LEU 157 Ca 0.00 -0.45 0.01 0.00 -2.89 0.00 0.00 54.13 50.79 1fua s LEU 157 Cb 0.00 0.13 0.02 0.00 0.66 0.00 0.00 46.19 47.00 1fua s LEU 157 CO 0.00 -0.29 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.47 1fua s ILE 158 N -1.38 0.81 -0.01 6.68 1.01 -0.77 -1.83 121.20 125.71 1fua s ILE 158 Ca -0.15 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1fua s ILE 158 Cb -0.09 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1fua s ILE 158 CO -0.01 0.30 -0.09 0.00 0.00 0.00 0.00 174.94 175.14 1fua s ALA 159 N 1.06 0.81 0.07 9.38 0.00 -0.32 -1.49 121.76 131.27 1fua s ALA 159 Ca -0.08 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.55 1fua s ALA 159 Cb -0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1fua s ALA 159 CO -0.01 0.17 -0.15 0.00 0.00 0.00 0.00 175.76 175.78 1fua n GLU 161 N 1.38 0.57 0.26 0.00 -0.58 -0.91 -4.77 120.64 116.60 1fua n GLU 161 Ca -0.20 -1.44 0.16 0.00 -0.42 0.00 0.00 57.16 55.26 1fua n GLU 161 Cb 0.54 1.61 0.57 0.00 -0.57 0.00 0.00 31.44 33.60 1fua n GLU 161 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1fua h VAL 162 N 1.59 0.01 -3.20 2.62 -1.51 -1.86 0.55 116.25 114.44 1fua h VAL 162 Ca -0.18 -0.63 0.02 0.00 -1.23 0.00 0.00 66.70 64.68 1fua h VAL 162 Cb 0.72 1.62 -0.07 0.00 -2.13 0.00 0.00 31.29 31.43 1fua h VAL 162 CO 0.24 0.00 0.12 0.54 -1.23 0.00 0.00 177.57 177.24 1fua s ASN 163 N -5.81 -0.24 0.29 4.19 2.20 -1.26 -4.36 114.94 109.95 1fua s ASN 163 Ca 0.02 -0.63 -0.02 0.00 -0.94 0.00 0.00 52.86 51.29 1fua s ASN 163 Cb 0.08 0.67 0.43 0.00 -2.00 0.00 0.00 41.25 40.43 1fua s ASN 163 CO 0.57 -1.24 1.94 -0.07 -2.94 0.00 0.00 177.10 175.36 1fua h LEU 164 N 2.09 0.92 -0.00 3.54 3.38 -1.89 -1.34 115.31 122.00 1fua h LEU 164 Ca -0.23 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1fua h LEU 164 Cb 1.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1fua h LEU 164 CO 0.29 0.70 -0.02 -0.08 0.09 0.00 0.00 178.44 179.42 1fua h GLU 165 N 1.05 -0.04 -0.15 1.13 4.81 -1.98 0.56 114.58 119.97 1fua h GLU 165 Ca 0.28 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1fua h GLU 165 Cb -0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1fua h GLU 165 CO -0.05 -0.03 -0.58 0.87 -0.73 0.00 0.00 179.01 178.49 1fua h LYS 166 N -0.04 0.47 -0.26 1.92 1.79 -1.94 -1.08 116.57 117.43 1fua h LYS 166 Ca 0.01 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1fua h LYS 166 Cb 0.06 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1fua h LYS 166 CO -0.03 0.92 0.12 0.00 -1.08 0.00 0.00 179.45 179.38 1fua h ALA 167 N 1.02 0.34 -0.49 3.86 0.00 -1.02 0.87 119.26 123.84 1fua h ALA 167 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1fua h ALA 167 Cb 1.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1fua h ALA 167 CO 0.10 -0.10 0.19 1.25 0.00 0.00 0.00 179.25 180.70 1fua h LEU 168 N 0.29 0.67 -0.82 0.00 7.12 -0.84 -1.27 115.31 120.46 1fua h LEU 168 Ca 0.09 -0.17 0.03 0.00 0.13 0.00 0.00 57.88 57.96 1fua h LEU 168 Cb 0.13 -0.17 -0.05 0.00 -0.53 0.00 0.00 40.66 40.03 1fua h LEU 168 CO -0.01 0.66 0.52 -0.25 -0.13 0.00 0.00 178.44 179.23 1fua h TRP 169 N 0.64 0.98 -0.37 1.25 7.01 -0.91 -0.98 115.95 123.58 1fua h TRP 169 Ca 0.16 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 1fua h TRP 169 Cb 0.20 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1fua h TRP 169 CO 0.00 0.56 0.02 1.25 -2.79 0.00 0.00 178.44 177.49 1fua h LEU 170 N 1.02 0.62 -0.60 0.65 6.46 -0.51 -1.25 115.31 121.70 1fua h LEU 170 Ca 0.33 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1fua h LEU 170 Cb 0.01 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 39.73 1fua h LEU 170 CO -0.11 0.76 0.34 0.00 -0.62 0.00 0.00 178.44 178.81 1fua h ALA 171 N 0.88 0.78 0.00 1.25 0.00 -0.75 -0.79 119.26 120.63 1fua h ALA 171 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1fua h ALA 171 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1fua h ALA 171 CO 0.02 0.03 -0.00 1.25 0.00 0.00 0.00 179.25 180.54 1fua h HIS 172 N 0.65 -0.00 -0.72 0.00 -0.00 -1.05 -2.08 115.15 111.95 1fua h HIS 172 Ca 0.26 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.67 1fua h HIS 172 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1fua h HIS 172 CO -0.08 0.08 0.48 1.49 -0.00 0.00 0.00 177.93 179.90 1fua h GLU 173 N -0.08 0.81 -0.11 5.26 4.57 -0.82 -0.74 114.58 123.47 1fua h GLU 173 Ca -0.00 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 1fua h GLU 173 Cb 0.08 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1fua h GLU 173 CO 0.00 0.54 -0.43 0.28 -1.18 0.00 0.00 179.01 178.21 1fua h VAL 174 N 0.84 1.32 -0.56 0.32 2.07 -0.84 -1.41 116.25 117.98 1fua h VAL 174 Ca 0.30 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 1fua h VAL 174 Cb 0.12 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1fua h VAL 174 CO -0.09 0.47 -0.01 -0.08 0.02 0.00 0.00 177.57 177.88 1fua h GLU 175 N 0.21 0.98 -0.45 1.57 4.57 -0.48 0.11 114.58 121.10 1fua h GLU 175 Ca 0.02 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 57.81 1fua h GLU 175 Cb 0.86 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1fua h GLU 175 CO 0.07 0.97 -0.03 0.28 -1.18 0.00 0.00 179.01 179.11 1fua h VAL 176 N 0.90 1.27 -0.53 0.32 2.07 -0.99 -0.45 116.25 118.84 1fua h VAL 176 Ca 0.16 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1fua h VAL 176 Cb 0.54 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1fua h VAL 176 CO 0.03 0.38 0.10 -0.07 0.02 0.00 0.00 177.57 178.03 1fua h LEU 177 N 0.66 0.78 -0.19 2.57 3.38 -0.95 -0.43 115.31 121.14 1fua h LEU 177 Ca 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1fua h LEU 177 Cb 0.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1fua h LEU 177 CO 0.03 0.79 0.07 0.00 0.09 0.00 0.00 178.44 179.42 1fua h ALA 178 N 1.31 0.24 -0.75 1.53 0.00 -0.45 -0.89 119.26 120.26 1fua h ALA 178 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1fua h ALA 178 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1fua h ALA 178 CO 0.00 -0.15 0.31 0.37 0.00 0.00 0.00 179.25 179.78 1fua h GLN 179 N 0.14 1.12 -0.66 0.00 4.15 -0.79 -1.52 115.11 117.55 1fua h GLN 179 Ca 0.06 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1fua h GLN 179 Cb 0.19 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1fua h GLN 179 CO -0.00 0.91 0.36 -0.07 -1.93 0.00 0.00 178.83 178.09 1fua h LEU 180 N 1.08 0.81 -0.16 -2.39 3.38 -0.82 -1.89 115.31 115.32 1fua h LEU 180 Ca 0.25 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1fua h LEU 180 Cb 0.20 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1fua h LEU 180 CO -0.02 0.65 -0.71 0.22 0.09 0.00 0.00 178.44 178.67 1fua h TYR 181 N 0.91 1.03 -0.39 1.13 3.20 -0.62 -2.66 116.97 119.57 1fua h TYR 181 Ca 0.23 -0.45 -0.14 0.00 3.14 0.00 0.00 58.73 61.52 1fua h TYR 181 Cb 0.03 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1fua h TYR 181 CO 0.01 1.27 -0.31 -0.07 -1.64 0.00 0.00 178.16 177.42 1fua h LEU 182 N 0.50 0.95 -0.62 2.82 3.38 -1.16 -0.61 115.31 120.58 1fua h LEU 182 Ca -0.04 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1fua h LEU 182 Cb 1.34 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1fua h LEU 182 CO 0.15 1.19 0.28 0.74 0.09 0.00 0.00 178.44 180.89 1fua h THR 183 N 0.72 1.22 0.07 0.22 2.02 -1.38 -2.07 112.91 113.70 1fua h THR 183 Ca 0.07 -0.66 -0.25 0.00 0.77 0.00 0.00 66.41 66.34 1fua h THR 183 Cb 0.90 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1fua h THR 183 CO 0.08 0.26 -1.10 0.71 0.37 0.00 0.00 175.52 175.85 1fua h THR 184 N 0.86 1.48 -0.04 3.16 1.35 -1.44 -3.23 112.91 115.05 1fua h THR 184 Ca 0.21 -2.85 -0.04 0.00 -0.55 0.00 0.00 66.41 63.18 1fua h THR 184 Cb 0.16 2.73 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1fua h THR 184 CO -0.02 0.83 -0.16 0.25 -0.25 0.00 0.00 175.52 176.17 1fua h LEU 185 N 0.12 0.06 -0.89 3.87 5.85 -0.94 0.19 115.31 123.57 1fua h LEU 185 Ca -0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1fua h LEU 185 Cb 1.79 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1fua h LEU 185 CO 0.18 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 1fua h ALA 186 N 1.78 1.00 0.00 1.25 0.00 -1.39 -3.24 119.26 118.66 1fua h ALA 186 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.54 1fua h ALA 186 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1fua h ALA 186 CO 0.02 0.00 -2.21 -0.89 0.00 0.00 0.00 179.25 176.17 1fua n ILE 187 N -2.50 1.52 -3.85 0.00 2.08 0.15 -5.02 119.36 111.74 1fua n ILE 187 Ca 0.02 -0.28 -0.12 0.00 0.56 0.00 0.00 62.75 62.93 1fua n ILE 187 Cb 0.27 -1.97 -0.13 0.00 -0.75 0.00 0.00 39.64 37.05 1fua n ILE 187 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1fua s THR 188 N -2.56 0.00 -0.06 1.39 -1.32 0.43 -5.13 115.64 108.39 1fua s THR 188 Ca -0.36 -0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 60.10 1fua s THR 188 Cb 0.13 -0.12 0.02 0.00 -1.51 0.00 0.00 72.50 71.02 1fua s THR 188 CO 0.48 -0.01 -0.03 -0.62 -2.21 0.00 0.00 174.62 172.24 1fua s ASP 189 N 0.01 1.33 0.70 8.08 -1.08 -1.26 -3.71 116.67 120.75 1fua s ASP 189 Ca -0.00 -0.13 -0.11 0.00 -0.52 0.00 0.00 52.55 51.79 1fua s ASP 189 Cb -0.01 -0.48 0.01 0.00 -1.46 0.00 0.00 42.92 40.98 1fua s ASP 189 CO 0.00 -0.12 1.07 -2.16 0.52 0.00 0.00 175.17 174.48 1fua s PRO 190 N 1.43 2.89 0.10 4.34 0.04 -1.26 -5.14 135.00 137.40 1fua s PRO 190 Ca -0.03 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.47 1fua s PRO 190 Cb -0.13 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1fua s PRO 190 CO -0.03 -1.08 0.85 0.08 0.04 0.00 0.00 177.00 176.86 1fua s VAL 191 N -3.17 4.54 0.30 -0.36 1.01 -1.24 -5.01 120.40 116.45 1fua s VAL 191 Ca 0.58 1.83 -0.29 0.00 0.00 0.00 0.00 61.98 64.10 1fua s VAL 191 Cb -0.13 -4.21 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1fua s VAL 191 CO 0.54 0.39 1.35 -2.65 0.00 0.00 0.00 175.10 174.72 1fua n PRO 192 N 2.49 2.10 -4.32 2.72 -0.02 -1.26 -5.01 135.00 131.71 1fua n PRO 192 Ca -0.01 0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 62.04 1fua n PRO 192 Cb 0.49 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1fua n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fua s VAL 193 N -0.60 1.23 0.13 -1.45 -7.23 -1.26 -4.56 120.40 106.65 1fua s VAL 193 Ca 0.61 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 1fua s VAL 193 Cb -0.60 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.10 1fua s VAL 193 CO 0.56 -0.49 0.66 -0.76 -0.31 0.00 0.00 175.10 174.76 1fua s LEU 194 N -3.28 4.50 0.96 1.32 1.43 0.85 -4.99 118.68 119.46 1fua s LEU 194 Ca 0.24 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 1fua s LEU 194 Cb 0.04 -3.17 0.17 0.00 0.03 0.00 0.00 46.19 43.25 1fua s LEU 194 CO 0.06 0.20 1.09 -0.94 0.23 0.00 0.00 176.35 176.99 1fua s SER 195 N -1.26 2.78 0.32 2.29 1.04 -1.26 -4.76 113.70 112.84 1fua s SER 195 Ca 0.34 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.53 1fua s SER 195 Cb -0.20 -2.35 0.53 0.00 0.10 0.00 0.00 66.02 64.10 1fua s SER 195 CO 0.22 -3.11 1.87 0.44 0.98 0.00 0.00 173.24 173.63 1fua h ASP 196 N -1.87 0.62 -0.03 7.02 3.32 -1.99 -1.52 116.42 121.97 1fua h ASP 196 Ca -0.50 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1fua h ASP 196 Cb 1.29 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1fua h ASP 196 CO 0.49 0.64 0.02 -0.33 -1.72 0.00 0.00 179.24 178.34 1fua h GLU 197 N 0.65 0.04 -0.64 3.56 5.08 -1.98 0.22 114.58 121.50 1fua h GLU 197 Ca 0.14 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1fua h GLU 197 Cb 0.28 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1fua h GLU 197 CO 0.00 0.06 0.36 1.49 -1.00 0.00 0.00 179.01 179.92 1fua h GLU 198 N -0.00 0.65 -0.11 2.33 4.57 -1.84 0.26 114.58 120.44 1fua h GLU 198 Ca 0.01 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1fua h GLU 198 Cb 0.04 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1fua h GLU 198 CO -0.00 0.43 -0.30 0.82 -1.18 0.00 0.00 179.01 178.78 1fua h ILE 199 N 0.67 1.25 -0.84 2.32 1.08 -0.90 -2.20 117.51 118.89 1fua h ILE 199 Ca 0.28 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1fua h ILE 199 Cb 0.15 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1fua h ILE 199 CO -0.17 0.36 0.55 0.00 -0.69 0.00 0.00 178.15 178.21 1fua h ALA 200 N 1.52 1.06 -0.04 1.87 0.00 0.14 -0.03 119.26 123.78 1fua h ALA 200 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fua h ALA 200 Cb 0.63 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fua h ALA 200 CO 0.05 0.48 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 1fua h VAL 201 N 1.14 1.26 -0.73 0.00 2.07 -0.79 -1.92 116.25 117.29 1fua h VAL 201 Ca 0.31 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1fua h VAL 201 Cb -0.13 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1fua h VAL 201 CO -0.07 0.21 0.43 0.58 0.02 0.00 0.00 177.57 178.74 1fua h VAL 202 N -0.24 1.01 -0.15 2.57 2.07 -1.11 0.19 116.25 120.59 1fua h VAL 202 Ca 0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1fua h VAL 202 Cb 0.34 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1fua h VAL 202 CO 0.00 0.15 0.10 -0.07 0.02 0.00 0.00 177.57 177.77 1fua h LEU 203 N 0.79 0.18 -0.92 2.57 3.38 -0.92 0.89 115.31 121.29 1fua h LEU 203 Ca 0.32 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.30 1fua h LEU 203 Cb 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1fua h LEU 203 CO -0.17 0.14 0.60 -0.08 0.09 0.00 0.00 178.44 179.02 1fua h GLU 204 N 0.20 1.14 -0.60 1.13 4.57 -0.95 -2.48 114.58 117.60 1fua h GLU 204 Ca 0.06 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1fua h GLU 204 Cb -0.01 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 1fua h GLU 204 CO -0.01 0.76 0.16 -0.22 -1.18 0.00 0.00 179.01 178.52 1fua h LYS 205 N 1.18 0.91 0.00 1.92 3.64 0.10 -3.51 116.57 120.81 1fua h LYS 205 Ca 0.36 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1fua h LYS 205 Cb -0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1fua h LYS 205 CO -0.11 0.80 0.00 1.19 -2.27 0.00 0.00 179.45 179.06