#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fua s GLU 2 N 0.00 3.34 0.33 0.03 2.12 -1.26 -5.02 118.70 118.25 3fua s GLU 2 Ca 0.00 -0.66 0.13 0.00 0.36 0.00 0.00 54.97 54.80 3fua s GLU 2 Cb 0.00 -2.87 1.07 0.00 0.26 0.00 0.00 34.13 32.59 3fua s GLU 2 CO 0.00 -0.09 1.51 -2.13 -0.54 0.00 0.00 175.26 174.01 3fua n ARG 3 N 4.45 -0.07 0.08 4.30 0.63 -1.26 -1.09 116.66 123.70 3fua n ARG 3 Ca -0.18 1.37 -0.09 0.00 -0.92 0.00 0.00 57.85 58.02 3fua n ARG 3 Cb 0.51 -2.34 -0.10 0.00 0.45 0.00 0.00 32.46 30.98 3fua n ARG 3 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3fua h ASN 4 N 0.00 0.15 -0.41 6.15 2.35 -1.96 -1.62 115.58 120.24 3fua h ASN 4 Ca 0.72 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 56.19 3fua h ASN 4 Cb 1.77 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 3fua h ASN 4 CO -0.81 1.08 -0.24 0.11 -1.65 0.00 0.00 177.43 175.92 3fua h LYS 5 N 0.04 0.93 -0.50 0.81 1.79 -1.54 -1.46 116.57 116.64 3fua h LYS 5 Ca -0.05 -0.40 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 3fua h LYS 5 Cb 1.76 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.36 3fua h LYS 5 CO 0.15 1.06 0.03 -0.07 -1.08 0.00 0.00 179.45 179.54 3fua h LEU 6 N 0.80 0.83 -0.84 2.94 3.38 -1.44 -2.21 115.31 118.78 3fua h LEU 6 Ca 0.10 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fua h LEU 6 Cb 0.80 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3fua h LEU 6 CO 0.07 0.92 0.51 0.00 0.09 0.00 0.00 178.44 180.02 3fua h ALA 7 N 0.95 1.07 -0.58 1.53 0.00 -1.04 -1.66 119.26 119.52 3fua h ALA 7 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fua h ALA 7 Cb 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fua h ALA 7 CO 0.02 0.53 0.13 0.00 0.00 0.00 0.00 179.25 179.92 3fua h ARG 8 N 1.15 0.94 -0.68 0.00 3.08 -1.14 -2.48 114.38 115.24 3fua h ARG 8 Ca 0.30 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3fua h ARG 8 Cb -0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3fua h ARG 8 CO -0.06 0.87 0.23 1.96 -1.07 0.00 0.00 179.97 181.90 3fua h GLN 9 N 0.84 1.04 -0.34 0.04 4.20 -1.02 -1.56 115.11 118.31 3fua h GLN 9 Ca 0.18 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3fua h GLN 9 Cb 0.37 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3fua h GLN 9 CO 0.00 0.88 0.17 0.82 -0.67 0.00 0.00 178.83 180.03 3fua h ILE 10 N 1.00 1.16 -0.59 2.54 2.04 -1.08 0.79 117.51 123.37 3fua h ILE 10 Ca 0.22 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3fua h ILE 10 Cb 0.26 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3fua h ILE 10 CO -0.01 0.16 0.16 0.40 0.00 0.00 0.00 178.15 178.86 3fua h ILE 11 N 0.41 1.23 -0.37 -0.67 2.04 -1.25 -0.16 117.51 118.75 3fua h ILE 11 Ca 0.12 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.09 3fua h ILE 11 Cb 0.11 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3fua h ILE 11 CO -0.02 0.31 -0.06 0.44 0.00 0.00 0.00 178.15 178.82 3fua h ASP 12 N 0.87 0.58 -0.29 1.72 3.32 -0.72 -0.16 116.42 121.74 3fua h ASP 12 Ca 0.19 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3fua h ASP 12 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3fua h ASP 12 CO -0.00 0.69 -0.15 0.74 -1.72 0.00 0.00 179.24 178.80 3fua h THR 13 N 0.57 1.30 -0.78 0.35 2.02 -0.14 0.01 112.91 116.22 3fua h THR 13 Ca 0.11 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 3fua h THR 13 Cb 0.45 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 3fua h THR 13 CO 0.02 0.40 0.43 0.00 0.37 0.00 0.00 175.52 176.75 3fua h LEU 15 N 1.09 0.29 -1.29 0.00 4.07 -0.88 -2.57 115.31 116.03 3fua h LEU 15 Ca 0.28 -0.43 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 3fua h LEU 15 Cb 0.02 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 3fua h LEU 15 CO -0.05 0.66 -0.03 -0.08 -1.08 0.00 0.00 178.44 177.87 3fua h GLU 16 N -0.08 0.45 0.00 1.13 4.57 -0.59 -1.14 114.58 118.92 3fua h GLU 16 Ca 0.03 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.05 3fua h GLU 16 Cb 0.56 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 3fua h GLU 16 CO 0.02 0.50 -0.31 1.98 -1.18 0.00 0.00 179.01 180.02 3fua h MET 17 N 0.43 0.00 0.08 1.92 4.05 -0.23 -1.05 114.93 120.13 3fua h MET 17 Ca 0.09 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.26 3fua h MET 17 Cb 0.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 3fua h MET 17 CO 0.01 0.31 -1.13 1.15 0.23 0.00 0.00 176.91 177.48 3fua h THR 18 N 0.00 1.45 -0.41 -0.77 2.02 -0.89 -0.18 112.91 114.13 3fua h THR 18 Ca -0.00 -2.80 -0.05 0.00 0.77 0.00 0.00 66.41 64.33 3fua h THR 18 Cb 0.63 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 3fua h THR 18 CO 0.04 0.82 0.04 -0.09 0.37 0.00 0.00 175.52 176.70 3fua h ARG 19 N 0.14 0.63 0.00 6.66 2.43 -0.15 -1.26 114.38 122.84 3fua h ARG 19 Ca -0.12 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3fua h ARG 19 Cb 1.81 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 3fua h ARG 19 CO 0.19 0.63 -0.13 1.28 -1.51 0.00 0.00 179.97 180.43 3fua n LEU 20 N -4.27 0.50 0.00 3.80 4.77 -0.50 -4.93 117.00 116.36 3fua n LEU 20 Ca 0.02 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3fua n LEU 20 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3fua n LEU 20 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3fua n GLY 21 N 1.39 0.64 0.14 -0.72 0.00 -0.48 -4.96 105.19 101.21 3fua n GLY 21 Ca 0.06 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 3fua n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fua h LEU 22 N 0.00 0.58-10.68 0.99 3.38 -1.29 -3.45 115.31 104.84 3fua h LEU 22 Ca 0.00 -0.81 -0.46 0.00 0.09 0.00 0.00 57.88 56.70 3fua h LEU 22 Cb 0.00 -0.19 0.10 0.00 0.09 0.00 0.00 40.66 40.67 3fua h LEU 22 CO 0.00 1.68 0.26 0.21 0.09 0.00 0.00 178.44 180.68 3fua s ASN 23 N -7.23 4.20 0.00 -0.43 3.84 -0.46 -3.80 114.94 111.06 3fua s ASN 23 Ca -0.13 0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.16 3fua s ASN 23 Cb 0.06 -0.62 0.00 0.00 -0.55 0.00 0.00 41.25 40.13 3fua s ASN 23 CO 0.86 -2.00 0.00 0.00 -2.79 0.00 0.00 177.10 173.18 3fua n GLN 24 N -3.16 0.00 -1.04 0.43 6.02 -1.26 -4.76 117.38 113.61 3fua n GLN 24 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3fua n GLN 24 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 3fua n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fua n GLY 25 N 1.43 -2.77 4.52 1.08 0.00 -1.26 -4.43 105.19 103.76 3fua n GLY 25 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3fua n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fua n THR 26 N 0.04 0.00 -1.44 2.61 -2.24 -1.26 -4.76 114.28 107.23 3fua n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3fua n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3fua n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fua n ALA 27 N 0.00 -1.84 -1.61 6.98 0.00 -1.26 -5.04 120.51 117.74 3fua n ALA 27 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3fua n ALA 27 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3fua n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fua n GLY 28 N -1.92 0.93 3.52 0.00 0.00 -1.26 -4.74 105.19 101.72 3fua n GLY 28 Ca 0.00 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 3fua n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fua s ASN 29 N -1.00 -0.63 0.15 1.61 2.20 -0.37 -4.98 114.94 111.91 3fua s ASN 29 Ca 0.00 0.97 0.07 0.00 -0.94 0.00 0.00 52.86 52.96 3fua s ASN 29 Cb 0.00 0.92 -0.04 0.00 -2.00 0.00 0.00 41.25 40.13 3fua s ASN 29 CO 0.00 -0.40 -0.15 -0.69 -2.94 0.00 0.00 177.10 172.91 3fua s VAL 30 N -0.43 1.57 0.14 3.54 1.01 -1.26 -1.26 120.40 123.70 3fua s VAL 30 Ca -0.06 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 59.85 3fua s VAL 30 Cb -0.03 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.66 3fua s VAL 30 CO 0.05 -0.42 0.49 -0.94 0.00 0.00 0.00 175.10 174.27 3fua s SER 31 N -2.70 -0.38 0.02 3.32 1.04 -0.80 -1.64 113.70 112.56 3fua s SER 31 Ca 0.14 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.43 3fua s SER 31 Cb -0.04 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 3fua s SER 31 CO 0.05 -0.90 -0.10 0.68 0.98 0.00 0.00 173.24 173.95 3fua s VAL 32 N -3.73 0.78 0.41 5.02 -7.23 -0.22 -2.07 120.40 113.36 3fua s VAL 32 Ca 0.02 -0.72 -0.26 0.00 -1.81 0.00 0.00 61.98 59.21 3fua s VAL 32 Cb 0.01 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 3fua s VAL 32 CO -0.12 0.01 1.29 -0.60 -0.31 0.00 0.00 175.10 175.37 3fua s ARG 33 N -0.80 3.97 -0.24 4.82 3.52 -0.50 -0.89 118.95 128.84 3fua s ARG 33 Ca -0.00 2.12 -0.12 0.00 -0.13 0.00 0.00 55.73 57.60 3fua s ARG 33 Cb -0.06 -2.74 0.08 0.00 -1.56 0.00 0.00 34.95 30.67 3fua s ARG 33 CO 0.00 -0.48 0.56 -0.47 -0.81 0.00 0.00 175.30 174.10 3fua s TYR 34 N -1.28 -0.93 0.00 5.12 5.04 -1.00 -4.75 117.35 119.56 3fua s TYR 34 Ca 0.57 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 57.02 3fua s TYR 34 Cb -0.37 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.44 3fua s TYR 34 CO 0.48 -0.49 0.00 1.04 -1.34 0.00 0.00 175.55 175.24 3fua n GLN 35 N 4.62 0.00 0.02 4.97 6.02 -1.26 -0.05 117.38 131.71 3fua n GLN 35 Ca -0.18 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.92 3fua n GLN 35 Cb 0.55 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.89 3fua n GLN 35 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3fua n ASP 36 N 4.49 0.63 0.00 1.08 5.75 -1.26 -4.91 116.55 122.33 3fua n ASP 36 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 3fua n ASP 36 Cb 0.00 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 3fua n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fua n GLY 37 N 1.40 1.67 3.51 6.12 0.00 0.93 -3.36 105.19 115.48 3fua n GLY 37 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3fua n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3fua s MET 38 N 2.91 0.95 -0.21 1.61 0.23 -0.25 -2.38 119.30 122.17 3fua s MET 38 Ca 0.00 -0.37 -0.05 0.00 -1.03 0.00 0.00 55.69 54.24 3fua s MET 38 Cb 0.00 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 3fua s MET 38 CO 0.00 -0.42 -0.00 -0.51 -2.03 0.00 0.00 175.02 172.06 3fua s LEU 39 N -2.58 3.21 0.09 0.18 1.43 -0.07 -1.89 118.68 119.05 3fua s LEU 39 Ca 0.05 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3fua s LEU 39 Cb -0.01 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3fua s LEU 39 CO -0.09 0.04 -0.12 -0.51 0.23 0.00 0.00 176.35 175.91 3fua s ILE 40 N 1.12 1.07 0.52 -0.59 2.07 -0.04 -1.05 121.20 124.29 3fua s ILE 40 Ca 0.02 -1.54 -0.22 0.00 -1.41 0.00 0.00 60.65 57.50 3fua s ILE 40 Cb -0.14 -1.29 -0.06 0.00 0.13 0.00 0.00 42.46 41.10 3fua s ILE 40 CO 0.01 -0.42 1.23 0.42 -1.91 0.00 0.00 174.94 174.27 3fua s THR 41 N -2.00 2.69 0.58 4.00 -4.23 -0.65 -1.88 115.64 114.15 3fua s THR 41 Ca 0.04 0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.91 3fua s THR 41 Cb -0.06 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 3fua s THR 41 CO 0.01 -0.03 1.01 -2.16 -0.54 0.00 0.00 174.62 172.92 3fua s PRO 42 N -2.91 3.71 0.20 3.99 0.04 -1.26 -1.50 135.00 137.28 3fua s PRO 42 Ca 0.69 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 3fua s PRO 42 Cb -0.33 -2.10 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 3fua s PRO 42 CO 0.38 -0.47 0.92 -0.08 0.04 0.00 0.00 177.00 177.79 3fua s THR 43 N -3.00 4.21 -0.86 1.26 -1.32 -0.99 -4.34 115.64 110.60 3fua s THR 43 Ca 0.56 2.03 -0.00 0.00 -1.21 0.00 0.00 61.69 63.06 3fua s THR 43 Cb -0.11 -4.30 -0.01 0.00 -1.51 0.00 0.00 72.50 66.58 3fua s THR 43 CO 0.47 0.46 0.72 0.61 -2.21 0.00 0.00 174.62 174.67 3fua n GLY 44 N 1.67 -0.20 2.92 6.08 0.00 -1.26 -4.96 105.19 109.45 3fua n GLY 44 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3fua n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fua s ILE 45 N -3.27 -0.49 0.35 -0.61 1.01 -1.26 -5.14 121.20 111.80 3fua s ILE 45 Ca 0.04 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 3fua s ILE 45 Cb -0.00 -0.68 -0.10 0.00 0.01 0.00 0.00 42.46 41.68 3fua s ILE 45 CO 0.53 -0.08 1.36 -2.16 0.00 0.00 0.00 174.94 174.59 3fua s PRO 46 N 2.46 4.25 0.50 2.79 0.04 -1.26 -4.82 135.00 138.96 3fua s PRO 46 Ca 0.07 2.31 0.43 0.00 0.04 0.00 0.00 61.00 63.85 3fua s PRO 46 Cb -0.14 -3.01 1.59 0.00 0.04 0.00 0.00 34.50 32.97 3fua s PRO 46 CO -0.13 -0.31 1.50 2.48 0.04 0.00 0.00 177.00 180.57 3fua n TYR 47 N 0.64 0.23 -0.21 0.56 4.11 -1.26 -0.18 117.16 121.04 3fua n TYR 47 Ca 0.01 0.23 -0.07 0.00 -0.00 0.00 0.00 57.90 58.06 3fua n TYR 47 Cb 0.41 -0.69 0.03 0.00 -0.00 0.00 0.00 39.34 39.09 3fua n TYR 47 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 3fua h GLU 48 N 0.00 0.89 0.00 -3.48 3.07 -2.00 -2.68 114.58 110.38 3fua h GLU 48 Ca 0.88 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 3fua h GLU 48 Cb 3.33 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 31.10 3fua h GLU 48 CO -0.16 0.75 -0.02 0.87 -1.40 0.00 0.00 179.01 179.06 3fua h LYS 49 N 0.83 0.00 -6.74 2.33 1.79 -0.92 -3.47 116.57 110.39 3fua h LYS 49 Ca 0.20 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.10 3fua h LYS 49 Cb 0.19 0.00 0.16 0.00 -1.58 0.00 0.00 32.23 31.01 3fua h LYS 49 CO -0.02 0.00 -0.01 1.28 -1.08 0.00 0.00 179.45 179.62 3fua n LEU 50 N -2.37 2.89 -3.53 2.94 4.77 -1.01 -5.02 117.00 115.66 3fua n LEU 50 Ca 0.05 0.79 -0.11 0.00 -0.03 0.00 0.00 56.01 56.71 3fua n LEU 50 Cb 0.44 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.17 3fua n LEU 50 CO 0.31 -2.17 0.31 0.28 -1.33 0.00 0.00 177.39 174.79 3fua s THR 51 N -1.56 0.02 0.54 -5.08 -1.32 -1.26 -5.03 115.64 101.95 3fua s THR 51 Ca 0.74 -0.29 0.36 0.00 -1.21 0.00 0.00 61.69 61.29 3fua s THR 51 Cb -0.43 -1.14 0.55 0.00 -1.51 0.00 0.00 72.50 69.97 3fua s THR 51 CO 0.49 -0.11 1.81 -0.33 -2.21 0.00 0.00 174.62 174.27 3fua h GLU 52 N 2.13 0.00 0.00 7.08 3.07 -1.95 0.22 114.58 125.14 3fua h GLU 52 Ca -0.33 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3fua h GLU 52 Cb 1.29 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3fua h GLU 52 CO 0.40 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.45 3fua n SER 53 N -4.19 0.10 0.07 1.42 7.64 -1.26 -3.08 113.62 114.31 3fua n SER 53 Ca 0.25 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.74 3fua n SER 53 Cb 1.21 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.83 3fua n SER 53 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3fua n HIS 54 N -1.59 0.76 -1.97 1.43 8.25 0.79 -4.87 115.22 118.01 3fua n HIS 54 Ca 0.06 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.32 3fua n HIS 54 Cb 0.30 -0.88 -0.03 0.00 1.12 0.00 0.00 29.99 30.50 3fua n HIS 54 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fua s ILE 55 N -3.35 3.23 0.07 1.59 1.09 -1.18 -4.24 121.20 118.41 3fua s ILE 55 Ca -0.02 0.59 -0.08 0.00 -1.10 0.00 0.00 60.65 60.04 3fua s ILE 55 Cb 0.10 -3.38 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 3fua s ILE 55 CO 0.82 -0.01 0.35 -0.69 -0.10 0.00 0.00 174.94 175.30 3fua s VAL 56 N 2.94 5.18 -0.15 2.92 1.01 -0.79 -4.91 120.40 126.60 3fua s VAL 56 Ca 0.73 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 3fua s VAL 56 Cb -0.38 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3fua s VAL 56 CO 0.31 0.27 -0.05 0.12 0.00 0.00 0.00 175.10 175.76 3fua s PHE 57 N -1.41 3.01 -0.10 5.22 5.36 -1.26 -0.86 117.98 127.93 3fua s PHE 57 Ca 0.32 -0.32 0.03 0.00 -0.96 0.00 0.00 56.93 56.00 3fua s PHE 57 Cb -0.13 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.59 3fua s PHE 57 CO 0.19 -0.04 -0.20 0.42 -1.46 0.00 0.00 175.22 174.13 3fua s ILE 58 N 0.34 2.47 0.00 3.12 1.09 -0.79 -2.20 121.20 125.22 3fua s ILE 58 Ca -0.05 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 3fua s ILE 58 Cb -0.14 -1.98 0.00 0.00 -1.06 0.00 0.00 42.46 39.28 3fua s ILE 58 CO 0.03 0.55 0.00 -0.90 -0.10 0.00 0.00 174.94 174.52 3fua n ASP 59 N 3.40 0.00 0.26 3.58 5.75 0.17 -1.09 116.55 128.62 3fua n ASP 59 Ca -0.18 -0.62 0.13 0.00 -0.01 0.00 0.00 54.79 54.11 3fua n ASP 59 Cb 0.53 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.33 3fua n ASP 59 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fua h GLY 60 N 0.00 0.00 -1.83 6.12 0.00 -1.88 -2.13 103.07 103.34 3fua h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fua h GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3fua n ASN 61 N -3.57 2.76 0.00 0.19 3.02 -1.26 -4.90 115.26 111.50 3fua n ASN 61 Ca -0.02 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 3fua n ASN 61 Cb 0.25 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3fua n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fua n GLY 62 N 1.34 0.64 3.69 7.41 0.00 -0.80 -5.02 105.19 112.45 3fua n GLY 62 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fua n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fua s LYS 63 N -0.19 4.36 0.11 1.61 3.01 -1.26 -4.78 119.74 122.60 3fua s LYS 63 Ca 0.00 1.00 0.02 0.00 -1.01 0.00 0.00 55.97 55.98 3fua s LYS 63 Cb 0.00 -3.52 -0.04 0.00 -1.01 0.00 0.00 37.83 33.26 3fua s LYS 63 CO 0.00 -0.18 0.18 -3.38 0.51 0.00 0.00 175.35 172.48 3fua s HIS 64 N 1.61 3.34 0.48 3.18 -3.43 -1.26 -0.66 115.29 118.55 3fua s HIS 64 Ca 0.39 0.12 -0.24 0.00 -0.80 0.00 0.00 55.06 54.53 3fua s HIS 64 Cb -0.17 -1.65 -0.08 0.00 -1.43 0.00 0.00 32.58 29.25 3fua s HIS 64 CO 0.16 0.54 1.27 -0.85 -2.00 0.00 0.00 174.74 173.86 3fua n GLU 65 N 0.01 1.76 -1.84 -0.38 0.28 -0.93 -4.91 120.64 114.62 3fua n GLU 65 Ca -0.07 0.64 -0.40 0.00 -0.16 0.00 0.00 57.16 57.17 3fua n GLU 65 Cb 0.53 -2.43 0.01 0.00 1.43 0.00 0.00 31.44 30.98 3fua n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3fua s GLU 66 N -2.48 3.72 0.00 3.44 2.02 -1.26 -2.99 118.70 121.15 3fua s GLU 66 Ca 0.66 2.37 0.00 0.00 0.02 0.00 0.00 54.97 58.01 3fua s GLU 66 Cb -0.47 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.10 3fua s GLU 66 CO 0.54 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.46 3fua n GLY 67 N 0.59 0.92 3.05 -1.39 0.00 -1.26 -5.01 105.19 102.10 3fua n GLY 67 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3fua n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fua s LYS 68 N -0.11 1.42 -0.27 1.61 1.02 -1.16 -5.12 119.74 117.13 3fua s LYS 68 Ca 0.00 -0.43 -0.08 0.00 0.02 0.00 0.00 55.97 55.48 3fua s LYS 68 Cb 0.00 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 3fua s LYS 68 CO 0.00 0.13 0.09 -0.51 -0.92 0.00 0.00 175.35 174.15 3fua s LEU 69 N 0.27 3.69 1.12 3.17 1.43 -1.26 -4.70 118.68 122.40 3fua s LEU 69 Ca -0.06 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 3fua s LEU 69 Cb -0.11 -1.93 0.25 0.00 0.03 0.00 0.00 46.19 44.42 3fua s LEU 69 CO 0.02 -0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.47 3fua s PRO 70 N 1.59 -0.60 0.36 1.29 0.04 -1.26 -2.34 135.00 134.07 3fua s PRO 70 Ca 0.05 0.00 -0.26 0.00 0.04 0.00 0.00 61.00 60.83 3fua s PRO 70 Cb -0.16 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.60 3fua s PRO 70 CO 0.04 -3.31 1.07 0.45 0.04 0.00 0.00 177.00 175.29 3fua n SER 71 N -4.49 1.60 0.11 6.66 2.88 -0.56 -3.20 113.62 116.62 3fua n SER 71 Ca 0.12 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.87 3fua n SER 71 Cb 0.59 -1.36 0.45 0.00 -0.75 0.00 0.00 64.21 63.14 3fua n SER 71 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fua n SER 72 N 0.79 0.49 -1.38 -3.46 3.41 -1.26 -1.73 113.62 110.49 3fua n SER 72 Ca 0.08 0.66 -0.05 0.00 -0.26 0.00 0.00 58.87 59.30 3fua n SER 72 Cb 0.36 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 63.78 3fua n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fua n GLU 73 N -2.08 2.31 0.19 4.33 1.02 -1.26 -4.32 120.64 120.83 3fua n GLU 73 Ca 0.01 -3.08 0.03 0.00 -0.02 0.00 0.00 57.16 54.10 3fua n GLU 73 Cb 0.15 -1.93 0.37 0.00 -0.02 0.00 0.00 31.44 30.01 3fua n GLU 73 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3fua h TRP 74 N 1.32 0.00 -0.95 -0.32 5.08 -1.69 -3.25 115.95 116.14 3fua h TRP 74 Ca 0.26 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.34 3fua h TRP 74 Cb 1.90 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.98 3fua h TRP 74 CO 1.05 0.36 0.61 0.00 -1.28 0.00 0.00 178.44 179.18 3fua h ARG 75 N 0.00 0.89 -0.00 0.12 3.08 -1.85 -2.18 114.38 114.44 3fua h ARG 75 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3fua h ARG 75 Cb 0.64 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3fua h ARG 75 CO 0.05 0.59 -0.04 1.97 -1.07 0.00 0.00 179.97 181.47 3fua n PHE 76 N -4.57 0.00 0.14 3.04 1.16 -1.23 -2.52 117.46 113.48 3fua n PHE 76 Ca 0.17 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.51 3fua n PHE 76 Cb 0.35 -0.15 -0.16 0.00 -1.61 0.00 0.00 39.48 37.91 3fua n PHE 76 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3fua h HIS 77 N 0.35 0.93 -0.67 2.97 3.86 -1.56 -1.44 115.15 119.58 3fua h HIS 77 Ca 0.00 -0.68 -0.06 0.00 -1.16 0.00 0.00 60.37 58.47 3fua h HIS 77 Cb 0.25 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3fua h HIS 77 CO 0.00 1.56 0.16 1.98 0.86 0.00 0.00 177.93 182.49 3fua h MET 78 N 0.14 1.06 -0.24 2.45 4.05 -1.45 0.72 114.93 121.66 3fua h MET 78 Ca -0.26 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 58.90 3fua h MET 78 Cb 2.15 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.80 3fua h MET 78 CO 0.26 0.94 0.07 0.00 0.23 0.00 0.00 176.91 178.41 3fua h ALA 79 N 1.16 1.67 0.06 0.39 0.00 -1.44 0.99 119.26 122.10 3fua h ALA 79 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fua h ALA 79 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fua h ALA 79 CO 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 3fua h ALA 80 N 1.74 -0.09 -0.77 0.00 0.00 0.20 -1.36 119.26 118.98 3fua h ALA 80 Ca 0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3fua h ALA 80 Cb 0.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fua h ALA 80 CO -0.01 -0.41 0.30 1.88 0.00 0.00 0.00 179.25 181.02 3fua h TYR 81 N -0.37 1.18 -0.16 0.00 0.05 -0.55 0.26 116.97 117.38 3fua h TYR 81 Ca -0.01 -0.09 -0.12 0.00 0.05 0.00 0.00 58.73 58.56 3fua h TYR 81 Cb 0.33 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3fua h TYR 81 CO 0.02 0.90 -0.44 1.96 -1.05 0.00 0.00 178.16 179.55 3fua h GLN 82 N 1.13 0.38 0.15 4.88 4.20 -0.82 -3.23 115.11 121.80 3fua h GLN 82 Ca 0.26 -0.20 -0.31 0.00 0.06 0.00 0.00 58.65 58.46 3fua h GLN 82 Cb 0.23 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.04 3fua h GLN 82 CO -0.02 0.75 -1.30 1.03 -0.67 0.00 0.00 178.83 178.62 3fua h SER 83 N 0.31 0.83 -4.14 1.46 0.87 -0.79 -3.40 113.55 108.70 3fua h SER 83 Ca 0.02 -0.80 -0.64 0.00 -1.23 0.00 0.00 61.79 59.14 3fua h SER 83 Cb 0.90 -0.27 -0.41 0.00 -0.44 0.00 0.00 62.40 62.18 3fua h SER 83 CO 0.07 1.61 -0.66 -0.13 -0.53 0.00 0.00 176.83 177.20 3fua s ARG 84 N -2.88 1.80 0.00 2.24 0.52 0.04 -4.80 118.95 115.88 3fua s ARG 84 Ca -0.09 -2.39 0.09 0.00 -0.52 0.00 0.00 55.73 52.82 3fua s ARG 84 Cb 0.05 -3.21 0.38 0.00 0.52 0.00 0.00 34.95 32.70 3fua s ARG 84 CO 0.93 -1.07 1.25 -0.35 0.02 0.00 0.00 175.30 176.08 3fua n PRO 85 N 3.42 0.03 0.02 3.54 -0.04 -1.22 -1.06 135.00 139.68 3fua n PRO 85 Ca 0.05 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 3fua n PRO 85 Cb 0.35 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 3fua n PRO 85 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3fua n ASP 86 N -1.45 0.64 -4.73 3.54 5.75 -1.26 -4.90 116.55 114.14 3fua n ASP 86 Ca 0.03 -0.33 -0.41 0.00 -0.01 0.00 0.00 54.79 54.07 3fua n ASP 86 Cb 0.09 0.73 -0.04 0.00 -1.03 0.00 0.00 41.12 40.87 3fua n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fua s ALA 87 N -3.14 3.28 -0.22 2.12 0.00 -0.23 -4.32 121.76 119.27 3fua s ALA 87 Ca 0.05 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3fua s ALA 87 Cb 0.15 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 20.16 3fua s ALA 87 CO 0.79 -0.06 0.67 0.09 0.00 0.00 0.00 175.76 177.25 3fua n ASN 88 N 3.28 1.38 -3.69 0.00 3.02 -0.43 -4.86 115.26 113.96 3fua n ASN 88 Ca 0.01 -1.29 -0.10 0.00 -0.03 0.00 0.00 54.58 53.17 3fua n ASN 88 Cb 0.50 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 3fua n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fua s ALA 89 N -0.35 -1.25 -0.10 5.41 0.00 -1.05 -1.41 121.76 123.01 3fua s ALA 89 Ca 0.03 1.70 0.03 0.00 0.00 0.00 0.00 51.96 53.71 3fua s ALA 89 Cb 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3fua s ALA 89 CO 0.02 -0.28 -0.19 0.08 0.00 0.00 0.00 175.76 175.39 3fua s VAL 90 N 1.29 1.74 -0.15 0.00 1.01 -0.88 -2.48 120.40 120.92 3fua s VAL 90 Ca -0.08 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3fua s VAL 90 Cb -0.07 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3fua s VAL 90 CO -0.12 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 3fua s VAL 91 N 0.61 2.44 -0.05 2.92 1.01 -0.44 -1.90 120.40 124.99 3fua s VAL 91 Ca -0.14 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.04 3fua s VAL 91 Cb -0.17 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3fua s VAL 91 CO 0.04 0.53 -0.18 -2.28 0.00 0.00 0.00 175.10 173.20 3fua s HIS 92 N 0.87 1.86 0.30 5.22 5.04 -0.39 -1.49 115.29 126.71 3fua s HIS 92 Ca -0.05 -0.56 -0.00 0.00 -1.54 0.00 0.00 55.06 52.90 3fua s HIS 92 Cb -0.15 -1.25 0.00 0.00 0.04 0.00 0.00 32.58 31.22 3fua s HIS 92 CO -0.02 -0.20 0.40 0.27 -2.34 0.00 0.00 174.74 172.85 3fua n ASN 93 N 3.18 -1.10 -2.37 9.88 0.23 -0.60 -1.24 115.26 123.24 3fua n ASN 93 Ca -0.18 -2.68 -0.19 0.00 -0.53 0.00 0.00 54.58 51.00 3fua n ASN 93 Cb 0.53 2.10 0.02 0.00 -2.08 0.00 0.00 39.78 40.35 3fua n ASN 93 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3fua n HIS 94 N -0.51 2.48 -1.58 -2.53 8.25 -1.26 -1.39 115.22 118.68 3fua n HIS 94 Ca 0.01 -2.52 -0.43 0.00 -0.26 0.00 0.00 57.72 54.53 3fua n HIS 94 Cb 0.51 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 3fua n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fua n ALA 95 N -0.55 -0.27 0.12 -1.41 0.00 -1.25 -4.78 120.51 112.37 3fua n ALA 95 Ca 0.32 0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.89 3fua n ALA 95 Cb 0.84 -2.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 3fua n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fua h VAL 96 N 1.60 0.04 -0.16 0.00 2.07 -1.87 -1.78 116.25 116.15 3fua h VAL 96 Ca -0.42 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3fua h VAL 96 Cb 1.35 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3fua h VAL 96 CO 0.57 0.00 -0.30 0.45 0.02 0.00 0.00 177.57 178.31 3fua h HIS 97 N -0.75 0.34 0.07 1.57 3.86 -1.91 -1.28 115.15 117.06 3fua h HIS 97 Ca -0.00 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3fua h HIS 97 Cb 0.75 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3fua h HIS 97 CO -0.43 0.58 -0.03 0.00 0.86 0.00 0.00 177.93 178.91 3fua h THR 99 N -0.40 1.10 -0.50 0.00 2.02 -1.20 -1.86 112.91 112.06 3fua h THR 99 Ca -0.01 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3fua h THR 99 Cb 0.35 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3fua h THR 99 CO 0.02 0.21 0.20 0.00 0.37 0.00 0.00 175.52 176.32 3fua h ALA 100 N 1.43 0.65 -0.54 6.16 0.00 -1.15 -1.36 119.26 124.45 3fua h ALA 100 Ca 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3fua h ALA 100 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3fua h ALA 100 CO -0.16 0.26 0.15 0.28 0.00 0.00 0.00 179.25 179.78 3fua h VAL 101 N 0.67 1.22 0.00 0.00 2.07 -1.02 -1.22 116.25 117.97 3fua h VAL 101 Ca 0.17 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3fua h VAL 101 Cb 0.20 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3fua h VAL 101 CO -0.01 0.29 0.00 0.77 0.02 0.00 0.00 177.57 178.63 3fua h SER 102 N 0.79 0.00 0.58 0.57 4.64 -0.93 -1.25 113.55 117.95 3fua h SER 102 Ca 0.18 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 3fua h SER 102 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3fua h SER 102 CO -0.01 0.00 -0.80 0.40 -0.87 0.00 0.00 176.83 175.55 3fua h ILE 103 N 0.00 1.49 -0.00 0.95 2.04 -0.10 -2.44 117.51 119.45 3fua h ILE 103 Ca 0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 3fua h ILE 103 Cb 0.53 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3fua h ILE 103 CO 0.00 0.73 -0.04 0.18 0.00 0.00 0.00 178.15 179.01 3fua n LEU 104 N -3.69 0.12 -3.76 1.44 4.77 -0.52 -4.85 117.00 110.50 3fua n LEU 104 Ca -0.03 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.96 3fua n LEU 104 Cb 0.76 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3fua n LEU 104 CO 0.46 0.02 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.23 3fua n ASN 105 N -1.25 -1.42 -4.35 -1.43 5.15 -0.88 -5.00 115.26 106.09 3fua n ASN 105 Ca 0.13 -0.89 -0.27 0.00 -0.60 0.00 0.00 54.58 52.94 3fua n ASN 105 Cb 0.27 -3.71 -0.13 0.00 -0.53 0.00 0.00 39.78 35.68 3fua n ASN 105 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3fua s ARG 106 N -6.11 1.35 0.54 1.20 0.52 -1.17 -5.03 118.95 110.24 3fua s ARG 106 Ca 0.06 -1.25 -0.08 0.00 -0.52 0.00 0.00 55.73 53.94 3fua s ARG 106 Cb -0.02 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 3fua s ARG 106 CO 0.84 0.41 0.89 -1.12 0.02 0.00 0.00 175.30 176.34 3fua s SER 107 N -1.90 6.25 -0.30 0.23 0.01 -1.26 -4.61 113.70 112.13 3fua s SER 107 Ca 0.11 1.13 -0.13 0.00 1.31 0.00 0.00 55.95 58.37 3fua s SER 107 Cb -0.10 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 3fua s SER 107 CO 0.05 -0.70 0.30 -0.63 0.41 0.00 0.00 173.24 172.67 3fua s ILE 108 N -2.92 5.23 0.89 1.44 1.01 -0.34 -4.94 121.20 121.56 3fua s ILE 108 Ca 0.51 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 3fua s ILE 108 Cb -0.11 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.85 3fua s ILE 108 CO 0.49 0.12 1.24 -2.16 0.00 0.00 0.00 174.94 174.62 3fua s PRO 109 N 1.92 1.15 -0.28 2.79 0.04 -1.26 -1.87 135.00 137.49 3fua s PRO 109 Ca 0.11 -0.35 -0.12 0.00 0.04 0.00 0.00 61.00 60.67 3fua s PRO 109 Cb -0.16 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 3fua s PRO 109 CO 0.11 -2.05 1.50 0.00 0.04 0.00 0.00 177.00 176.59 3fua n ALA 110 N -3.51 1.98 0.30 8.56 0.00 -1.18 -4.56 120.51 122.10 3fua n ALA 110 Ca 0.13 -1.56 0.12 0.00 0.00 0.00 0.00 53.44 52.13 3fua n ALA 110 Cb 0.60 -3.09 0.18 0.00 0.00 0.00 0.00 19.45 17.14 3fua n ALA 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3fua h ILE 111 N 4.23 0.00 -3.24 0.00 3.07 -1.91 0.13 117.51 119.79 3fua h ILE 111 Ca 0.22 -0.86 -0.15 0.00 1.55 0.00 0.00 64.86 65.62 3fua h ILE 111 Cb 0.31 1.73 -0.23 0.00 -0.27 0.00 0.00 36.82 38.36 3fua h ILE 111 CO 1.50 0.00 -0.42 -2.28 -1.05 0.00 0.00 178.15 175.90 3fua s HIS 112 N -3.22 -0.15 0.66 0.16 5.04 -1.26 -4.83 115.29 111.69 3fua s HIS 112 Ca 0.06 0.32 0.42 0.00 -1.54 0.00 0.00 55.06 54.32 3fua s HIS 112 Cb 0.08 0.05 2.30 0.00 0.04 0.00 0.00 32.58 35.05 3fua s HIS 112 CO 0.68 -0.23 2.33 0.10 -2.34 0.00 0.00 174.74 175.28 3fua h TYR 113 N 4.90 0.00 0.00 3.88 -0.00 -1.99 -2.56 116.97 121.20 3fua h TYR 113 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.45 3fua h TYR 113 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3fua h TYR 113 CO 0.49 0.00 0.00 -1.33 -0.00 0.00 0.00 178.16 177.32 3fua n MET 114 N -3.18 0.16 0.26 0.10 2.81 -1.26 -2.78 117.12 113.22 3fua n MET 114 Ca -0.03 0.36 0.17 0.00 -1.81 0.00 0.00 57.70 56.39 3fua n MET 114 Cb 0.10 -1.79 0.89 0.00 -0.71 0.00 0.00 33.22 31.71 3fua n MET 114 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3fua h ILE 115 N 0.00 0.00 0.00 2.02 2.10 -1.78 0.29 117.51 120.13 3fua h ILE 115 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3fua h ILE 115 Cb 0.38 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 3fua h ILE 115 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3fua h ALA 116 N 1.86 1.00 -0.02 0.18 0.00 -1.55 -2.58 119.26 118.15 3fua h ALA 116 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fua h ALA 116 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fua h ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3fua h ALA 117 N 2.06 1.97 -0.01 0.00 0.00 -0.67 -0.44 119.26 122.17 3fua h ALA 117 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fua h ALA 117 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fua h ALA 117 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3fua n ALA 118 N -2.53 2.66 0.00 0.00 0.00 -0.97 -4.89 120.51 114.77 3fua n ALA 118 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fua n ALA 118 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3fua n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fua n GLY 119 N 1.02 0.82 0.00 0.00 0.00 -0.18 -0.86 105.19 106.00 3fua n GLY 119 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3fua n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fua n GLY 120 N -1.73 2.07 1.80 -0.02 0.00 -1.25 -4.93 105.19 101.13 3fua n GLY 120 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 3fua n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fua n ASN 121 N 0.00 4.74 -3.59 1.61 6.94 -1.26 -3.50 115.26 120.20 3fua n ASN 121 Ca 0.00 -3.19 -0.07 0.00 -0.02 0.00 0.00 54.58 51.30 3fua n ASN 121 Cb 0.00 -0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 36.70 3fua n ASN 121 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3fua s SER 122 N -1.21 -0.31 -0.25 0.53 1.04 -1.26 -3.08 113.70 109.16 3fua s SER 122 Ca 0.53 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.84 3fua s SER 122 Cb 0.42 0.43 0.05 0.00 0.10 0.00 0.00 66.02 67.03 3fua s SER 122 CO 0.13 -0.74 -0.11 -0.63 0.98 0.00 0.00 173.24 172.86 3fua s ILE 123 N -3.21 2.24 1.02 -1.02 -1.09 -0.78 -4.89 121.20 113.47 3fua s ILE 123 Ca 0.07 -1.51 -0.14 0.00 -2.23 0.00 0.00 60.65 56.84 3fua s ILE 123 Cb -0.01 -2.27 0.20 0.00 -1.58 0.00 0.00 42.46 38.80 3fua s ILE 123 CO -0.05 0.05 1.14 -2.16 -1.23 0.00 0.00 174.94 172.68 3fua s PRO 124 N 1.14 0.26 -0.19 2.79 0.04 -1.26 -1.20 135.00 136.57 3fua s PRO 124 Ca -0.07 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.14 3fua s PRO 124 Cb -0.19 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.66 3fua s PRO 124 CO -0.06 -2.77 -0.01 0.00 0.04 0.00 0.00 177.00 174.20 3fua s ALA 126 N 1.69 3.19 0.84 0.00 0.00 0.82 -4.88 121.76 123.43 3fua s ALA 126 Ca -0.02 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 3fua s ALA 126 Cb -0.17 -3.25 0.10 0.00 0.00 0.00 0.00 23.12 19.81 3fua s ALA 126 CO -0.07 -0.05 1.16 -2.14 0.00 0.00 0.00 175.76 174.65 3fua s PRO 127 N -2.11 1.51 0.34 0.00 0.02 -1.26 -1.35 135.00 132.16 3fua s PRO 127 Ca 0.52 1.55 -0.26 0.00 0.02 0.00 0.00 61.00 62.83 3fua s PRO 127 Cb -0.23 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.42 3fua s PRO 127 CO 0.29 -2.26 1.02 -0.47 -0.33 0.00 0.00 177.00 175.24 3fua s TYR 128 N -2.51 3.52 -0.04 6.54 5.04 -1.26 -4.58 117.35 124.06 3fua s TYR 128 Ca 0.68 1.72 -0.29 0.00 -2.44 0.00 0.00 57.07 56.75 3fua s TYR 128 Cb -0.24 -3.08 0.06 0.00 0.35 0.00 0.00 41.96 39.06 3fua s TYR 128 CO 0.54 -0.26 0.63 0.00 -1.34 0.00 0.00 175.55 175.12 3fua s ALA 129 N -1.51 -1.63 0.37 3.97 0.00 -1.26 -4.98 121.76 116.71 3fua s ALA 129 Ca 0.51 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 53.37 3fua s ALA 129 Cb -0.23 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 22.80 3fua s ALA 129 CO 0.29 -0.36 1.15 2.41 0.00 0.00 0.00 175.76 179.25 3fua n THR 130 N 0.93 2.22 -1.73 0.00 -1.04 -1.26 -4.82 114.28 108.58 3fua n THR 130 Ca -0.19 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 60.96 3fua n THR 130 Cb 0.57 -1.34 0.07 0.00 -1.82 0.00 0.00 70.33 67.81 3fua n THR 130 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3fua s PHE 131 N -1.16 2.12 -0.27 -1.42 -0.71 -1.26 -2.48 117.98 112.81 3fua s PHE 131 Ca 0.59 1.51 0.00 0.00 -1.04 0.00 0.00 56.93 58.00 3fua s PHE 131 Cb -0.58 -3.61 0.00 0.00 -1.21 0.00 0.00 43.02 37.62 3fua s PHE 131 CO 0.59 -2.74 0.00 0.41 -1.34 0.00 0.00 175.22 172.15 3fua n GLY 132 N 0.73 0.37 3.92 1.99 0.00 -1.26 -4.97 105.19 105.96 3fua n GLY 132 Ca 0.15 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3fua n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fua s THR 133 N -1.48 5.09 0.18 2.61 2.01 -1.04 -4.92 115.64 118.10 3fua s THR 133 Ca 0.00 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3fua s THR 133 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 3fua s THR 133 CO 0.00 -0.30 1.45 -0.09 -0.69 0.00 0.00 174.62 174.99 3fua h ARG 134 N 1.69 0.38 -0.31 4.92 2.43 -1.93 -3.12 114.38 118.45 3fua h ARG 134 Ca -0.48 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.36 3fua h ARG 134 Cb 1.19 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3fua h ARG 134 CO 0.66 0.94 0.09 1.49 -1.51 0.00 0.00 179.97 181.65 3fua h GLU 135 N 0.26 0.43 -0.48 0.20 4.81 -1.95 -0.93 114.58 116.92 3fua h GLU 135 Ca -0.03 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3fua h GLU 135 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3fua h GLU 135 CO 0.12 0.39 0.10 1.25 -0.73 0.00 0.00 179.01 180.14 3fua h LEU 136 N 0.43 0.69 -0.99 1.64 6.46 -1.79 -2.22 115.31 119.52 3fua h LEU 136 Ca 0.11 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3fua h LEU 136 Cb 0.14 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 3fua h LEU 136 CO -0.01 0.69 0.65 0.28 -0.62 0.00 0.00 178.44 179.44 3fua h SER 137 N 0.71 1.15 -0.30 1.25 0.02 -1.14 -1.63 113.55 113.61 3fua h SER 137 Ca 0.16 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3fua h SER 137 Cb 0.29 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3fua h SER 137 CO 0.00 0.84 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.03 3fua h GLU 138 N 1.35 0.64 -0.46 3.45 5.08 -1.24 0.33 114.58 123.73 3fua h GLU 138 Ca 0.36 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3fua h GLU 138 Cb -0.15 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.03 3fua h GLU 138 CO -0.08 0.88 0.13 0.45 -1.00 0.00 0.00 179.01 179.39 3fua h HIS 139 N 0.39 0.22 -0.21 4.33 3.86 -1.06 -0.39 115.15 122.29 3fua h HIS 139 Ca 0.06 0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.12 3fua h HIS 139 Cb 0.70 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3fua h HIS 139 CO 0.06 0.05 -0.57 -0.39 0.86 0.00 0.00 177.93 177.94 3fua h VAL 140 N 0.28 1.30 -0.94 2.45 -1.51 -1.19 -2.20 116.25 114.44 3fua h VAL 140 Ca 0.22 -1.78 0.05 0.00 -1.23 0.00 0.00 66.70 63.96 3fua h VAL 140 Cb 0.26 1.85 -0.06 0.00 -2.13 0.00 0.00 31.29 31.21 3fua h VAL 140 CO -0.26 0.57 0.60 0.00 -1.23 0.00 0.00 177.57 177.25 3fua h ALA 141 N 0.60 1.27 -0.57 5.19 0.00 -0.66 -0.86 119.26 124.23 3fua h ALA 141 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3fua h ALA 141 Cb 1.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3fua h ALA 141 CO 0.12 0.41 -0.02 -0.07 0.00 0.00 0.00 179.25 179.70 3fua h LEU 142 N 1.12 0.98 -0.69 0.00 4.07 -0.96 -2.98 115.31 116.84 3fua h LEU 142 Ca 0.39 -0.28 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 3fua h LEU 142 Cb 0.10 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3fua h LEU 142 CO -0.15 1.04 -0.37 0.00 -1.08 0.00 0.00 178.44 177.88 3fua h ALA 143 N 1.06 0.87 -0.10 1.53 0.00 -0.67 -2.97 119.26 118.97 3fua h ALA 143 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3fua h ALA 143 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fua h ALA 143 CO 0.03 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.20 3fua n LEU 144 N -4.05 0.70 -0.19 0.00 4.77 -0.42 -3.83 117.00 113.98 3fua n LEU 144 Ca -0.01 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.59 3fua n LEU 144 Cb 0.50 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3fua n LEU 144 CO 0.45 0.16 1.10 0.50 -1.33 0.00 0.00 177.39 178.26 3fua h LYS 145 N 0.85 0.70 0.00 3.23 1.63 -1.37 -3.29 116.57 118.32 3fua h LYS 145 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3fua h LYS 145 Cb 0.19 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3fua h LYS 145 CO 0.00 0.46 0.00 0.27 -3.45 0.00 0.00 179.45 176.73 3fua n ASN 146 N -4.73 1.56 -4.06 4.20 2.04 -1.26 -4.98 115.26 108.04 3fua n ASN 146 Ca 0.04 -1.66 -0.14 0.00 -0.44 0.00 0.00 54.58 52.39 3fua n ASN 146 Cb 0.05 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.19 3fua n ASN 146 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 3fua s ARG 147 N -0.66 0.54 0.13 -3.83 1.81 -1.24 -4.73 118.95 110.97 3fua s ARG 147 Ca 0.00 -0.69 0.25 0.00 -1.72 0.00 0.00 55.73 53.57 3fua s ARG 147 Cb 0.00 -0.36 0.61 0.00 -0.45 0.00 0.00 34.95 34.75 3fua s ARG 147 CO 0.00 0.07 1.55 1.63 -0.68 0.00 0.00 175.30 177.87 3fua n LYS 148 N 1.66 0.23 -4.03 3.54 5.02 -0.04 -4.42 118.16 120.13 3fua n LYS 148 Ca -0.21 0.12 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 3fua n LYS 148 Cb 0.55 -1.69 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 3fua n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fua s ALA 149 N -3.11 0.33 0.04 7.82 0.00 -1.26 -0.84 121.76 124.73 3fua s ALA 149 Ca 0.09 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 3fua s ALA 149 Cb 0.14 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3fua s ALA 149 CO 0.66 -0.17 0.33 -0.08 0.00 0.00 0.00 175.76 176.50 3fua s THR 150 N -1.98 0.07 0.17 0.00 -1.32 -0.20 -4.31 115.64 108.08 3fua s THR 150 Ca -0.09 -0.61 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 3fua s THR 150 Cb -0.06 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3fua s THR 150 CO -0.02 -0.34 0.30 -0.76 -2.21 0.00 0.00 174.62 171.59 3fua s LEU 151 N -2.01 4.33 -0.18 9.08 1.43 -0.22 -1.46 118.68 129.65 3fua s LEU 151 Ca -0.05 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3fua s LEU 151 Cb -0.01 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.34 3fua s LEU 151 CO -0.03 0.03 -0.18 -0.76 0.23 0.00 0.00 176.35 175.64 3fua s LEU 152 N -3.39 2.15 0.12 1.79 1.43 0.55 -0.13 118.68 121.20 3fua s LEU 152 Ca 0.34 -0.68 -0.35 0.00 -1.03 0.00 0.00 54.13 52.41 3fua s LEU 152 Cb -0.11 -1.43 -0.16 0.00 0.03 0.00 0.00 46.19 44.52 3fua s LEU 152 CO 0.29 -0.03 1.33 1.67 0.23 0.00 0.00 176.35 179.84 3fua n GLN 153 N 4.63 1.30 -3.04 1.70 7.27 -0.45 -0.72 117.38 128.08 3fua n GLN 153 Ca -0.20 0.47 -0.19 0.00 0.07 0.00 0.00 57.00 57.15 3fua n GLN 153 Cb 0.49 -2.10 -0.00 0.00 2.41 0.00 0.00 30.24 31.05 3fua n GLN 153 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3fua n HIS 154 N 2.39 -1.70 0.00 3.69 8.25 -0.95 -4.58 115.22 122.33 3fua n HIS 154 Ca 0.17 0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 3fua n HIS 154 Cb 0.22 -2.97 0.00 0.00 1.12 0.00 0.00 29.99 28.36 3fua n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3fua n HIS 155 N -3.78 -0.10 0.00 4.41 -0.00 0.10 -5.04 115.22 110.81 3fua n HIS 155 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 3fua n HIS 155 Cb 0.57 0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 3fua n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3fua n GLY 156 N 1.13 -0.93 3.08 1.57 0.00 -0.70 -4.72 105.19 104.61 3fua n GLY 156 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3fua n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fua s LEU 157 N 0.00 2.20 -0.04 0.99 1.98 -0.49 -0.33 118.68 122.99 3fua s LEU 157 Ca 0.00 -0.46 -0.02 0.00 -2.89 0.00 0.00 54.13 50.76 3fua s LEU 157 Cb 0.00 -0.33 0.03 0.00 0.66 0.00 0.00 46.19 46.55 3fua s LEU 157 CO 0.00 -0.09 0.06 -0.51 -1.89 0.00 0.00 176.35 173.92 3fua s ILE 158 N -1.03 -0.09 -0.01 6.68 2.07 -0.53 -1.56 121.20 126.72 3fua s ILE 158 Ca -0.04 0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.64 3fua s ILE 158 Cb -0.08 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 3fua s ILE 158 CO 0.01 0.18 -0.11 0.00 -1.91 0.00 0.00 174.94 173.11 3fua s ALA 159 N 2.14 0.91 0.09 1.50 0.00 -0.56 -1.03 121.76 124.81 3fua s ALA 159 Ca 0.05 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.59 3fua s ALA 159 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 3fua s ALA 159 CO -0.03 0.21 -0.11 0.00 0.00 0.00 0.00 175.76 175.83 3fua n GLU 161 N 0.82 0.56 0.17 0.00 -0.58 -1.04 -4.74 120.64 115.84 3fua n GLU 161 Ca -0.18 -1.69 0.13 0.00 -0.42 0.00 0.00 57.16 55.01 3fua n GLU 161 Cb 0.57 1.78 0.54 0.00 -0.57 0.00 0.00 31.44 33.75 3fua n GLU 161 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 3fua h VAL 162 N 1.65 0.00 -3.42 2.62 -1.51 -1.88 -1.06 116.25 112.65 3fua h VAL 162 Ca -0.19 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 3fua h VAL 162 Cb 0.79 1.14 -0.07 0.00 -2.13 0.00 0.00 31.29 31.01 3fua h VAL 162 CO 0.25 0.00 0.03 0.54 -1.23 0.00 0.00 177.57 177.16 3fua s ASN 163 N -4.65 -0.05 0.18 4.19 2.20 -1.26 -4.13 114.94 111.42 3fua s ASN 163 Ca 0.04 -0.90 -0.12 0.00 -0.94 0.00 0.00 52.86 50.94 3fua s ASN 163 Cb 0.09 0.67 0.09 0.00 -2.00 0.00 0.00 41.25 40.10 3fua s ASN 163 CO 0.44 -1.28 1.75 -0.07 -2.94 0.00 0.00 177.10 175.01 3fua h LEU 164 N 2.14 0.83 -0.52 3.54 3.38 -1.89 -2.26 115.31 120.52 3fua h LEU 164 Ca -0.25 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 3fua h LEU 164 Cb 1.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3fua h LEU 164 CO 0.32 0.75 -0.63 1.05 0.09 0.00 0.00 178.44 180.02 3fua h GLU 165 N 0.86 0.40 -0.09 1.13 4.11 -1.98 0.30 114.58 119.31 3fua h GLU 165 Ca 0.21 -0.28 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 3fua h GLU 165 Cb 0.15 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3fua h GLU 165 CO -0.02 0.90 -0.41 0.87 0.07 0.00 0.00 179.01 180.42 3fua h LYS 166 N 0.29 0.19 -0.22 1.06 1.57 -1.96 0.15 116.57 117.64 3fua h LYS 166 Ca -0.01 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 3fua h LYS 166 Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3fua h LYS 166 CO 0.11 0.57 -0.51 0.00 -0.57 0.00 0.00 179.45 179.04 3fua h ALA 167 N 1.43 0.36 -0.53 3.86 0.00 -1.21 -2.03 119.26 121.13 3fua h ALA 167 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3fua h ALA 167 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3fua h ALA 167 CO 0.06 0.54 0.16 1.25 0.00 0.00 0.00 179.25 181.26 3fua h LEU 168 N 0.45 0.78 0.28 0.00 6.46 -0.62 -1.40 115.31 121.27 3fua h LEU 168 Ca -0.00 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3fua h LEU 168 Cb 1.13 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 3fua h LEU 168 CO 0.11 0.79 -0.26 -0.25 -0.62 0.00 0.00 178.44 178.22 3fua h TRP 169 N 0.74 -0.68 -0.32 1.25 7.01 -0.65 0.07 115.95 123.37 3fua h TRP 169 Ca 0.17 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.25 3fua h TRP 169 Cb 0.29 0.26 -0.08 0.00 -2.10 0.00 0.00 29.16 27.53 3fua h TRP 169 CO 0.02 -0.38 -0.22 1.25 -2.79 0.00 0.00 178.44 176.32 3fua h LEU 170 N -0.56 -0.71 -0.72 0.65 6.46 -1.27 0.49 115.31 119.65 3fua h LEU 170 Ca -0.01 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 3fua h LEU 170 Cb 0.51 0.36 -0.06 0.00 -0.73 0.00 0.00 40.66 40.74 3fua h LEU 170 CO -0.04 -0.25 0.42 0.00 -0.62 0.00 0.00 178.44 177.95 3fua h ALA 171 N 0.97 0.97 -0.45 1.25 0.00 -1.02 0.26 119.26 121.24 3fua h ALA 171 Ca 0.16 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3fua h ALA 171 Cb 0.44 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fua h ALA 171 CO -0.43 0.11 -0.15 1.25 0.00 0.00 0.00 179.25 180.04 3fua h HIS 172 N 0.77 0.94 -0.33 0.00 -0.00 0.37 -2.76 115.15 114.14 3fua h HIS 172 Ca 0.32 -0.19 -0.11 0.00 -0.00 0.00 0.00 60.37 60.39 3fua h HIS 172 Cb 0.17 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3fua h HIS 172 CO -0.06 0.93 -0.23 1.49 -0.00 0.00 0.00 177.93 180.05 3fua h GLU 173 N 0.75 0.63 -0.15 5.26 4.57 0.11 -2.73 114.58 123.03 3fua h GLU 173 Ca 0.12 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3fua h GLU 173 Cb 0.66 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3fua h GLU 173 CO 0.05 0.82 -0.20 0.28 -1.18 0.00 0.00 179.01 178.77 3fua h VAL 174 N 0.56 1.22 -0.57 0.32 2.07 -0.27 -1.07 116.25 118.51 3fua h VAL 174 Ca 0.08 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 3fua h VAL 174 Cb 0.70 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3fua h VAL 174 CO 0.05 0.31 0.15 -0.33 0.02 0.00 0.00 177.57 177.77 3fua h GLU 175 N 0.24 0.91 0.23 1.57 4.39 -1.22 0.15 114.58 120.84 3fua h GLU 175 Ca 0.04 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 3fua h GLU 175 Cb 0.51 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3fua h GLU 175 CO 0.03 0.84 -0.11 0.28 -1.16 0.00 0.00 179.01 178.89 3fua h VAL 176 N 0.81 0.81 -0.67 3.13 2.07 -1.16 -0.39 116.25 120.85 3fua h VAL 176 Ca 0.18 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.53 3fua h VAL 176 Cb 0.33 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3fua h VAL 176 CO 0.00 0.05 0.44 -0.07 0.02 0.00 0.00 177.57 178.01 3fua h LEU 177 N -0.40 0.69 -0.51 2.57 3.38 -1.02 -1.20 115.31 118.81 3fua h LEU 177 Ca -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3fua h LEU 177 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3fua h LEU 177 CO 0.05 0.47 0.14 0.00 0.09 0.00 0.00 178.44 179.19 3fua h ALA 178 N 1.61 0.67 -0.46 1.53 0.00 -0.31 -1.71 119.26 120.60 3fua h ALA 178 Ca 0.27 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3fua h ALA 178 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3fua h ALA 178 CO -0.08 0.36 -0.10 0.37 0.00 0.00 0.00 179.25 179.80 3fua h GLN 179 N 0.71 0.84 -0.37 0.00 4.15 -0.18 -0.70 115.11 119.55 3fua h GLN 179 Ca 0.16 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 3fua h GLN 179 Cb 0.32 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3fua h GLN 179 CO -0.00 0.90 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.66 3fua h LEU 180 N 0.76 0.60 0.39 -2.39 3.38 -1.04 -1.77 115.31 115.23 3fua h LEU 180 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fua h LEU 180 Cb 0.60 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3fua h LEU 180 CO 0.04 0.72 -0.19 0.22 0.09 0.00 0.00 178.44 179.32 3fua h TYR 181 N 0.58 -0.48 -0.31 1.13 3.20 -0.82 -2.03 116.97 118.24 3fua h TYR 181 Ca 0.11 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3fua h TYR 181 Cb 0.47 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 3fua h TYR 181 CO 0.02 -0.15 0.01 -0.07 -1.64 0.00 0.00 178.16 176.33 3fua h LEU 182 N -0.88 -0.10 -0.39 2.82 3.38 -1.14 -0.23 115.31 118.76 3fua h LEU 182 Ca -0.05 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3fua h LEU 182 Cb 0.54 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3fua h LEU 182 CO 0.09 -0.02 0.12 0.74 0.09 0.00 0.00 178.44 179.45 3fua h THR 183 N 0.10 0.85 0.00 0.22 2.02 -1.33 -1.68 112.91 113.09 3fua h THR 183 Ca 0.15 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 3fua h THR 183 Cb 0.19 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3fua h THR 183 CO -0.24 0.05 -0.41 0.71 0.37 0.00 0.00 175.52 176.00 3fua h THR 184 N 0.26 0.75 0.00 3.16 1.35 -1.23 -3.18 112.91 114.01 3fua h THR 184 Ca 0.18 -1.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.04 3fua h THR 184 Cb 0.18 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3fua h THR 184 CO -0.20 0.40 -0.40 0.25 -0.25 0.00 0.00 175.52 175.32 3fua h LEU 185 N 0.00 0.00 0.00 3.87 5.85 -0.33 -0.60 115.31 124.10 3fua h LEU 185 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fua h LEU 185 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3fua h LEU 185 CO 0.05 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 3fua n ALA 186 N -2.35 2.60 -0.02 1.25 0.00 -0.70 -3.69 120.51 117.61 3fua n ALA 186 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 3fua n ALA 186 Cb 0.48 -1.49 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 3fua n ALA 186 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fua n ILE 187 N -1.04 0.22 -3.84 0.00 5.41 -0.68 -5.05 119.36 114.39 3fua n ILE 187 Ca 0.22 -0.08 -0.12 0.00 1.00 0.00 0.00 62.75 63.76 3fua n ILE 187 Cb 0.12 -0.70 -0.13 0.00 -0.71 0.00 0.00 39.64 38.23 3fua n ILE 187 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3fua s THR 188 N -2.08 0.01 -0.13 1.39 2.01 -0.32 -5.13 115.64 111.39 3fua s THR 188 Ca -0.05 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 3fua s THR 188 Cb 0.01 -0.18 0.06 0.00 0.01 0.00 0.00 72.50 72.40 3fua s THR 188 CO 0.09 -0.03 0.20 -0.62 -0.69 0.00 0.00 174.62 173.56 3fua s ASP 189 N -0.05 0.90 0.51 3.53 -1.08 -1.26 -3.91 116.67 115.31 3fua s ASP 189 Ca -0.01 0.20 -0.19 0.00 -0.52 0.00 0.00 52.55 52.03 3fua s ASP 189 Cb -0.01 0.37 -0.07 0.00 -1.46 0.00 0.00 42.92 41.74 3fua s ASP 189 CO 0.00 -0.27 1.05 -2.16 0.52 0.00 0.00 175.17 174.31 3fua s PRO 190 N 2.32 3.68 0.12 4.34 0.04 -1.26 -5.16 135.00 139.08 3fua s PRO 190 Ca 0.04 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 3fua s PRO 190 Cb -0.13 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3fua s PRO 190 CO -0.08 -0.53 0.78 0.08 0.04 0.00 0.00 177.00 177.29 3fua s VAL 191 N -2.05 4.50 0.49 -0.36 1.01 -1.25 -5.01 120.40 117.71 3fua s VAL 191 Ca 0.67 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 64.13 3fua s VAL 191 Cb -0.17 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 3fua s VAL 191 CO 0.24 0.46 0.94 -2.65 0.00 0.00 0.00 175.10 174.09 3fua n PRO 192 N 2.06 1.13 -3.99 2.72 -0.02 -1.26 -5.01 135.00 130.64 3fua n PRO 192 Ca -0.04 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 3fua n PRO 192 Cb 0.49 -2.03 -0.09 0.00 -0.02 0.00 0.00 33.50 31.85 3fua n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3fua s VAL 193 N -1.39 0.18 0.21 -1.45 -7.23 -1.26 -4.60 120.40 104.85 3fua s VAL 193 Ca 0.67 -1.53 -0.22 0.00 -1.81 0.00 0.00 61.98 59.09 3fua s VAL 193 Cb -0.51 -1.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 3fua s VAL 193 CO 0.54 -0.80 0.76 -0.76 -0.31 0.00 0.00 175.10 174.53 3fua s LEU 194 N -2.90 4.42 0.78 1.32 1.43 0.47 -4.99 118.68 119.20 3fua s LEU 194 Ca 0.07 1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 3fua s LEU 194 Cb 0.06 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.81 3fua s LEU 194 CO -0.10 0.08 1.13 -0.94 0.23 0.00 0.00 176.35 176.75 3fua s SER 195 N -1.49 4.18 0.38 2.29 1.04 -1.26 -4.76 113.70 114.08 3fua s SER 195 Ca 0.41 2.05 0.08 0.00 0.48 0.00 0.00 55.95 58.98 3fua s SER 195 Cb -0.19 -2.55 0.82 0.00 0.10 0.00 0.00 66.02 64.20 3fua s SER 195 CO 0.23 -2.26 1.94 0.44 0.98 0.00 0.00 173.24 174.57 3fua h ASP 196 N -0.92 0.60 -0.37 7.02 3.32 -1.99 -0.83 116.42 123.26 3fua h ASP 196 Ca -0.45 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3fua h ASP 196 Cb 1.26 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3fua h ASP 196 CO 0.49 0.36 0.17 -0.08 -1.72 0.00 0.00 179.24 178.46 3fua h GLU 197 N 0.67 0.53 -0.25 3.56 4.81 -1.99 0.24 114.58 122.14 3fua h GLU 197 Ca 0.35 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3fua h GLU 197 Cb 0.46 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3fua h GLU 197 CO -0.13 0.49 0.13 0.93 -0.73 0.00 0.00 179.01 179.71 3fua h GLU 198 N 0.45 0.34 -0.17 1.92 5.08 -1.52 -0.52 114.58 120.16 3fua h GLU 198 Ca 0.12 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 3fua h GLU 198 Cb 0.14 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3fua h GLU 198 CO -0.01 0.26 -0.72 0.82 -1.00 0.00 0.00 179.01 178.36 3fua h ILE 199 N 0.35 1.29 -0.72 3.13 1.08 -0.91 -2.90 117.51 118.82 3fua h ILE 199 Ca 0.09 -1.94 0.04 0.00 -0.39 0.00 0.00 64.86 62.66 3fua h ILE 199 Cb 0.03 1.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 3fua h ILE 199 CO -0.01 0.61 0.45 0.00 -0.69 0.00 0.00 178.15 178.51 3fua h ALA 200 N 0.65 0.95 -0.39 1.87 0.00 0.61 0.19 119.26 123.13 3fua h ALA 200 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fua h ALA 200 Cb 1.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3fua h ALA 200 CO 0.15 0.21 0.24 0.28 0.00 0.00 0.00 179.25 180.13 3fua h VAL 201 N 0.86 1.12 -0.45 0.00 2.07 -1.31 -0.68 116.25 117.86 3fua h VAL 201 Ca 0.30 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3fua h VAL 201 Cb 0.05 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3fua h VAL 201 CO -0.12 0.12 0.16 0.58 0.02 0.00 0.00 177.57 178.32 3fua h VAL 202 N 0.52 1.21 -0.77 2.57 2.07 -1.16 -0.30 116.25 120.40 3fua h VAL 202 Ca 0.14 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3fua h VAL 202 Cb -0.01 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3fua h VAL 202 CO -0.03 0.25 0.50 -0.07 0.02 0.00 0.00 177.57 178.25 3fua h LEU 203 N 0.58 0.69 -0.15 2.57 3.38 -0.42 0.13 115.31 122.10 3fua h LEU 203 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fua h LEU 203 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3fua h LEU 203 CO -0.01 0.43 0.04 -0.33 0.09 0.00 0.00 178.44 178.66 3fua h GLU 204 N 0.78 0.24 0.00 1.13 4.39 0.03 -2.83 114.58 118.31 3fua h GLU 204 Ca 0.34 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3fua h GLU 204 Cb 0.32 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3fua h GLU 204 CO -0.12 0.39 0.00 1.63 -1.16 0.00 0.00 179.01 179.75 3fua n LYS 205 N -4.83 0.19 0.00 2.33 5.02 -0.23 -5.10 118.16 115.54 3fua n LYS 205 Ca -0.05 0.35 0.16 0.00 -2.02 0.00 0.00 58.31 56.75 3fua n LYS 205 Cb 0.16 -1.82 0.93 0.00 -0.02 0.00 0.00 35.03 34.28 3fua n LYS 205 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07