#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiq h GLN 3 N 0.00 0.46 -0.43 -1.58 7.50 -1.99 -0.11 115.11 118.96 1aiq h GLN 3 Ca 0.00 -0.07 0.01 0.00 0.50 0.00 0.00 58.65 59.09 1aiq h GLN 3 Cb 0.00 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 1aiq h GLN 3 CO 0.00 0.42 0.28 -0.92 -1.50 0.00 0.00 178.83 177.11 1aiq h TYR 4 N 0.39 0.53 -0.74 2.96 3.20 -2.01 -1.67 116.97 119.62 1aiq h TYR 4 Ca 0.11 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1aiq h TYR 4 Cb 0.11 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1aiq h TYR 4 CO -0.02 0.33 0.26 -0.07 -1.64 0.00 0.00 178.16 177.02 1aiq h LEU 5 N 0.57 1.06 -0.84 2.82 4.07 -1.96 -1.87 115.31 119.17 1aiq h LEU 5 Ca 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1aiq h LEU 5 Cb -0.06 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.37 1aiq h LEU 5 CO -0.04 0.97 0.44 -0.33 -1.08 0.00 0.00 178.44 178.40 1aiq h GLU 6 N 1.09 1.18 -0.60 1.13 5.08 -0.65 -1.08 114.58 120.74 1aiq h GLU 6 Ca 0.24 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1aiq h GLU 6 Cb 0.27 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1aiq h GLU 6 CO -0.01 0.88 -0.02 1.25 -1.00 0.00 0.00 179.01 180.11 1aiq h LEU 7 N 1.18 1.05 -0.47 1.33 5.85 -1.02 -1.19 115.31 122.04 1aiq h LEU 7 Ca 0.29 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1aiq h LEU 7 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1aiq h LEU 7 CO -0.04 1.11 0.25 0.24 -0.34 0.00 0.00 178.44 179.66 1aiq h MET 8 N 0.96 0.49 -0.33 1.25 2.86 -0.76 -1.88 114.93 117.52 1aiq h MET 8 Ca 0.17 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1aiq h MET 8 Cb 0.58 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1aiq h MET 8 CO 0.03 0.33 -0.24 0.37 1.06 0.00 0.00 176.91 178.46 1aiq h GLN 9 N 0.51 0.66 -0.86 1.72 5.75 -1.01 -2.97 115.11 118.91 1aiq h GLN 9 Ca 0.20 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1aiq h GLN 9 Cb 0.07 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1aiq h GLN 9 CO -0.11 0.84 0.43 -0.22 -2.65 0.00 0.00 178.83 177.11 1aiq h LYS 10 N 0.57 1.23 -0.72 1.69 3.64 -0.73 0.04 116.57 122.29 1aiq h LYS 10 Ca 0.08 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1aiq h LYS 10 Cb 0.72 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1aiq h LYS 10 CO 0.06 0.93 0.24 0.28 -2.27 0.00 0.00 179.45 178.68 1aiq h VAL 11 N 1.22 1.26 -0.38 2.00 2.07 -1.25 0.45 116.25 121.62 1aiq h VAL 11 Ca 0.30 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1aiq h VAL 11 Cb 0.10 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1aiq h VAL 11 CO -0.04 0.35 -0.19 -0.07 0.02 0.00 0.00 177.57 177.64 1aiq h LEU 12 N 1.07 0.82 -0.20 2.57 3.38 -1.33 0.34 115.31 121.95 1aiq h LEU 12 Ca 0.23 -0.41 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1aiq h LEU 12 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1aiq h LEU 12 CO -0.01 1.04 -0.48 0.44 0.09 0.00 0.00 178.44 179.52 1aiq h ASP 13 N 0.59 0.77 -0.00 -0.43 3.32 -0.72 -3.38 116.42 116.58 1aiq h ASP 13 Ca 0.08 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1aiq h ASP 13 Cb 0.74 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1aiq h ASP 13 CO 0.06 1.20 -0.16 -0.62 -1.72 0.00 0.00 179.24 177.99 1aiq n GLU 14 N -4.16 4.28 -1.66 3.56 1.02 0.15 -5.06 120.64 118.77 1aiq n GLU 14 Ca -0.06 -0.17 -0.38 0.00 -0.02 0.00 0.00 57.16 56.53 1aiq n GLU 14 Cb 0.59 -0.79 0.06 0.00 -0.02 0.00 0.00 31.44 31.27 1aiq n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aiq n GLY 15 N 0.93 0.03 3.63 0.62 0.00 0.12 -4.89 105.19 105.62 1aiq n GLY 15 Ca 0.01 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1aiq n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aiq s THR 16 N -1.45 4.02 0.08 2.61 2.01 0.89 -4.68 115.64 119.12 1aiq s THR 16 Ca 0.77 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.11 1aiq s THR 16 Cb -0.41 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 1aiq s THR 16 CO 0.45 0.59 1.22 -1.58 -0.69 0.00 0.00 174.62 174.62 1aiq s GLN 17 N -0.75 4.42 0.04 4.92 0.74 -1.26 0.35 119.66 128.13 1aiq s GLN 17 Ca 0.12 1.81 0.03 0.00 0.05 0.00 0.00 55.36 57.37 1aiq s GLN 17 Cb -0.11 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 1aiq s GLN 17 CO 0.02 -0.26 -0.10 0.15 -0.55 0.00 0.00 175.29 174.54 1aiq s LYS 18 N 0.95 0.67 -0.52 1.67 1.02 0.29 -4.94 119.74 118.88 1aiq s LYS 18 Ca 0.59 -0.73 -0.19 0.00 0.02 0.00 0.00 55.97 55.65 1aiq s LYS 18 Cb -0.31 -0.57 0.07 0.00 -0.52 0.00 0.00 37.83 36.50 1aiq s LYS 18 CO 0.30 0.13 0.64 1.21 -0.92 0.00 0.00 175.35 176.71 1aiq s ASN 19 N -1.35 6.21 0.86 2.83 3.84 -1.26 -1.22 114.94 124.86 1aiq s ASN 19 Ca -0.04 -1.02 -0.12 0.00 0.21 0.00 0.00 52.86 51.89 1aiq s ASN 19 Cb -0.09 -2.29 0.15 0.00 -0.55 0.00 0.00 41.25 38.47 1aiq s ASN 19 CO 0.01 -0.94 1.21 1.51 -2.79 0.00 0.00 177.10 176.10 1aiq s ASP 20 N 2.88 3.79 0.53 -4.21 -4.77 -1.26 -4.96 116.67 108.68 1aiq s ASP 20 Ca 0.14 0.31 0.31 0.00 -3.30 0.00 0.00 52.55 50.01 1aiq s ASP 20 Cb -0.20 -0.57 1.47 0.00 -1.09 0.00 0.00 42.92 42.53 1aiq s ASP 20 CO 0.11 -2.30 2.05 0.08 0.70 0.00 0.00 175.17 175.81 1aiq h ARG 21 N -1.24 0.00 0.00 2.11 0.11 -2.00 -2.20 114.38 111.16 1aiq h ARG 21 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1aiq h ARG 21 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1aiq h ARG 21 CO 0.47 0.10 -0.05 1.79 0.10 0.00 0.00 179.97 182.37 1aiq h THR 22 N 0.00 0.00 0.00 0.08 1.35 -1.93 -3.47 112.91 108.94 1aiq h THR 22 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1aiq h THR 22 Cb 0.41 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1aiq h THR 22 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1aiq n GLY 23 N 1.27 0.52 0.11 5.82 0.00 -0.83 -4.91 105.19 107.17 1aiq n GLY 23 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1aiq n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aiq h THR 24 N 0.00 1.13 0.00 2.61 2.02 -1.91 -3.48 112.91 113.29 1aiq h THR 24 Ca 0.00 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.37 1aiq h THR 24 Cb 0.00 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1aiq h THR 24 CO 0.00 0.79 0.00 0.61 0.37 0.00 0.00 175.52 177.29 1aiq n GLY 25 N 1.64 0.36 3.10 2.16 0.00 -1.26 -4.44 105.19 106.74 1aiq n GLY 25 Ca -0.16 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 1aiq n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aiq s THR 26 N -1.87 0.22 -0.30 2.61 -4.23 -0.36 -1.76 115.64 109.96 1aiq s THR 26 Ca 0.00 -1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 58.65 1aiq s THR 26 Cb 0.00 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 72.33 1aiq s THR 26 CO 0.00 -0.98 0.09 -0.22 -0.54 0.00 0.00 174.62 172.97 1aiq s LEU 27 N -2.92 3.89 0.06 4.79 0.20 0.05 -0.54 118.68 124.21 1aiq s LEU 27 Ca 0.07 -0.70 0.09 0.00 0.69 0.00 0.00 54.13 54.28 1aiq s LEU 27 Cb 0.08 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1aiq s LEU 27 CO -0.10 -0.20 -0.25 -0.55 -0.29 0.00 0.00 176.35 174.96 1aiq s SER 28 N 1.51 3.26 0.17 3.68 0.15 0.16 -1.60 113.70 121.03 1aiq s SER 28 Ca 0.03 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.15 1aiq s SER 28 Cb -0.17 -0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 1aiq s SER 28 CO 0.03 0.25 -0.13 0.27 1.20 0.00 0.00 173.24 174.86 1aiq s ILE 29 N -0.85 1.49 -0.15 6.45 -4.36 -0.42 -0.07 121.20 123.29 1aiq s ILE 29 Ca 0.12 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1aiq s ILE 29 Cb -0.10 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.74 1aiq s ILE 29 CO 0.03 -0.61 -0.14 0.12 0.24 0.00 0.00 174.94 174.58 1aiq s PHE 30 N -2.93 2.14 0.00 1.37 5.36 -1.26 -0.99 117.98 121.68 1aiq s PHE 30 Ca 0.18 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 1aiq s PHE 30 Cb -0.00 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 1aiq s PHE 30 CO 0.04 -0.66 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 1aiq n GLY 31 N 4.76 -2.37 3.48 13.12 0.00 -0.83 -5.03 105.19 118.32 1aiq n GLY 31 Ca -0.17 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 1aiq n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aiq s HIS 32 N 0.00 -0.55 -0.07 1.61 5.04 -1.14 -4.97 115.29 115.20 1aiq s HIS 32 Ca 0.00 0.63 -0.10 0.00 -1.54 0.00 0.00 55.06 54.05 1aiq s HIS 32 Cb 0.00 0.50 0.02 0.00 0.04 0.00 0.00 32.58 33.14 1aiq s HIS 32 CO 0.00 -0.69 0.26 -1.14 -2.34 0.00 0.00 174.74 170.83 1aiq s GLN 33 N -2.56 0.40 0.01 2.88 0.74 -1.26 -1.14 119.66 118.73 1aiq s GLN 33 Ca -0.03 0.18 -0.06 0.00 0.05 0.00 0.00 55.36 55.50 1aiq s GLN 33 Cb -0.01 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.29 1aiq s GLN 33 CO -0.03 -0.07 0.10 0.00 -0.55 0.00 0.00 175.29 174.74 1aiq s MET 34 N -0.31 0.45 -0.05 1.67 0.23 -0.02 -4.99 119.30 116.28 1aiq s MET 34 Ca -0.04 -0.44 0.06 0.00 -1.03 0.00 0.00 55.69 54.24 1aiq s MET 34 Cb -0.03 0.18 -0.01 0.00 -1.53 0.00 0.00 34.83 33.44 1aiq s MET 34 CO 0.01 -0.10 -0.24 0.50 -2.03 0.00 0.00 175.02 173.16 1aiq s ARG 35 N -1.40 2.43 -0.18 3.16 3.52 -1.26 -0.20 118.95 125.02 1aiq s ARG 35 Ca -0.15 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.58 1aiq s ARG 35 Cb -0.08 -2.09 0.03 0.00 -1.56 0.00 0.00 34.95 31.25 1aiq s ARG 35 CO 0.01 0.38 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.67 1aiq s PHE 36 N -0.19 2.52 -0.58 5.12 0.08 0.11 -4.95 117.98 120.08 1aiq s PHE 36 Ca -0.02 -1.52 -0.27 0.00 0.12 0.00 0.00 56.93 55.24 1aiq s PHE 36 Cb -0.13 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1aiq s PHE 36 CO 0.03 -0.75 1.12 1.21 -0.10 0.00 0.00 175.22 176.73 1aiq s ASN 37 N 1.37 6.40 0.42 1.36 3.84 -1.26 0.68 114.94 127.75 1aiq s ASN 37 Ca 0.03 -0.07 0.29 0.00 0.21 0.00 0.00 52.86 53.32 1aiq s ASN 37 Cb -0.14 -2.52 1.51 0.00 -0.55 0.00 0.00 41.25 39.55 1aiq s ASN 37 CO -0.11 -1.43 1.88 -0.07 -2.79 0.00 0.00 177.10 174.58 1aiq h LEU 38 N 11.71 0.00 -0.87 3.21 4.07 -1.05 -0.92 115.31 131.46 1aiq h LEU 38 Ca -0.25 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.62 1aiq h LEU 38 Cb 1.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 1aiq h LEU 38 CO 1.16 0.00 -0.39 1.56 -1.08 0.00 0.00 178.44 179.69 1aiq h GLN 39 N 0.00 0.00 0.00 1.13 1.08 -1.78 -2.92 115.11 112.62 1aiq h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aiq h GLN 39 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1aiq h GLN 39 CO 0.00 0.39 0.00 -0.25 -0.95 0.00 0.00 178.83 178.02 1aiq n ASP 40 N -3.51 0.00 0.00 1.46 8.00 -0.35 -5.00 116.55 117.15 1aiq n ASP 40 Ca -0.00 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.94 1aiq n ASP 40 Cb 0.53 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1aiq n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aiq n GLY 41 N 1.18 3.83 3.70 0.44 0.00 -1.10 -4.81 105.19 108.44 1aiq n GLY 41 Ca 0.07 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1aiq n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aiq s PHE 42 N -2.20 3.17 -1.49 1.61 5.36 -0.80 -4.63 117.98 118.99 1aiq s PHE 42 Ca 0.00 1.04 -0.13 0.00 -0.96 0.00 0.00 56.93 56.88 1aiq s PHE 42 Cb 0.00 -3.57 0.01 0.00 -0.34 0.00 0.00 43.02 39.12 1aiq s PHE 42 CO 0.00 -1.97 2.41 -0.35 -1.46 0.00 0.00 175.22 173.84 1aiq n PRO 43 N 4.54 3.13 -3.78 10.12 -0.04 -1.26 -3.98 135.00 143.73 1aiq n PRO 43 Ca 0.11 -2.55 -0.36 0.00 -0.04 0.00 0.00 63.50 60.66 1aiq n PRO 43 Cb 0.44 -3.14 -0.12 0.00 -0.04 0.00 0.00 33.50 30.65 1aiq n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1aiq s LEU 44 N 1.52 3.65 0.20 1.53 2.96 -1.26 -4.30 118.68 122.97 1aiq s LEU 44 Ca 0.53 -0.10 -0.33 0.00 -0.22 0.00 0.00 54.13 54.01 1aiq s LEU 44 Cb 0.15 -1.98 -0.14 0.00 0.50 0.00 0.00 46.19 44.72 1aiq s LEU 44 CO -0.08 0.01 1.45 1.33 -1.32 0.00 0.00 176.35 177.74 1aiq n VAL 45 N 4.65 0.55 0.04 1.68 0.24 -1.26 -4.82 118.33 119.40 1aiq n VAL 45 Ca -0.16 -0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.11 1aiq n VAL 45 Cb 0.52 -1.42 -0.16 0.00 -1.47 0.00 0.00 33.84 31.31 1aiq n VAL 45 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1aiq n THR 46 N 2.45 0.00 1.99 3.34 -2.24 -1.26 -4.35 114.28 114.21 1aiq n THR 46 Ca 0.14 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.48 1aiq n THR 46 Cb 0.29 0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.67 1aiq n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aiq n THR 47 N -2.18 0.00 -3.64 4.28 -2.24 -1.26 0.34 114.28 109.57 1aiq n THR 47 Ca -0.03 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 1aiq n THR 47 Cb 0.53 -0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.65 1aiq n THR 47 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1aiq s LYS 48 N -2.00 0.54 0.07 -0.78 2.20 -1.26 -4.63 119.74 113.88 1aiq s LYS 48 Ca 0.04 0.92 -0.31 0.00 -0.36 0.00 0.00 55.97 56.26 1aiq s LYS 48 Cb 0.02 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.37 1aiq s LYS 48 CO 0.03 -0.11 1.61 0.50 -0.36 0.00 0.00 175.35 177.01 1aiq s ARG 49 N 1.42 4.21 0.20 4.03 3.52 -0.61 -4.73 118.95 126.99 1aiq s ARG 49 Ca -0.09 2.28 0.06 0.00 -0.13 0.00 0.00 55.73 57.85 1aiq s ARG 49 Cb -0.04 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1aiq s ARG 49 CO -0.17 -0.69 0.17 0.00 -0.81 0.00 0.00 175.30 173.80 1aiq s HIS 51 N -1.90 3.59 0.51 0.00 0.09 -1.26 -4.92 115.29 111.40 1aiq s HIS 51 Ca 0.32 -2.20 0.22 0.00 -0.00 0.00 0.00 55.06 53.40 1aiq s HIS 51 Cb -0.09 -3.58 1.30 0.00 -0.00 0.00 0.00 32.58 30.21 1aiq s HIS 51 CO 0.24 -0.94 2.00 1.25 -0.00 0.00 0.00 174.74 177.29 1aiq h LEU 52 N 7.63 0.09 -0.79 0.89 5.85 -1.99 -2.78 115.31 124.21 1aiq h LEU 52 Ca 0.02 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1aiq h LEU 52 Cb 1.02 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1aiq h LEU 52 CO 0.76 0.05 0.48 -0.09 -0.34 0.00 0.00 178.44 179.31 1aiq h ARG 53 N 0.10 0.87 0.00 1.25 1.12 -2.00 0.73 114.38 116.45 1aiq h ARG 53 Ca 0.25 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.89 1aiq h ARG 53 Cb 0.86 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.60 1aiq h ARG 53 CO -0.02 0.58 -0.87 0.66 -3.11 0.00 0.00 179.97 177.21 1aiq h SER 54 N 0.90 0.00 -0.13 -3.80 4.64 -1.89 -2.72 113.55 110.54 1aiq h SER 54 Ca 0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1aiq h SER 54 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1aiq h SER 54 CO -0.16 0.87 -0.01 0.40 -0.87 0.00 0.00 176.83 177.06 1aiq h ILE 55 N 0.00 1.26 0.27 0.95 2.04 -1.39 -2.19 117.51 118.45 1aiq h ILE 55 Ca -0.01 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1aiq h ILE 55 Cb 1.58 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1aiq h ILE 55 CO 0.11 0.25 -0.13 0.40 0.00 0.00 0.00 178.15 178.78 1aiq h ILE 56 N -0.03 0.77 -0.62 -0.67 5.03 -0.92 -2.55 117.51 118.51 1aiq h ILE 56 Ca 0.04 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.57 1aiq h ILE 56 Cb 0.38 0.89 -0.03 0.00 -3.03 0.00 0.00 36.82 35.03 1aiq h ILE 56 CO 0.01 0.05 0.40 0.45 -0.68 0.00 0.00 178.15 178.38 1aiq h HIS 57 N -0.47 0.79 0.19 1.37 3.86 -1.53 -0.46 115.15 118.91 1aiq h HIS 57 Ca -0.04 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1aiq h HIS 57 Cb 0.35 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1aiq h HIS 57 CO -0.03 0.51 -0.09 1.49 0.86 0.00 0.00 177.93 180.67 1aiq h GLU 58 N 0.85 -0.25 -0.22 2.45 4.81 -1.31 0.21 114.58 121.12 1aiq h GLU 58 Ca 0.23 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1aiq h GLU 58 Cb -0.08 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1aiq h GLU 58 CO -0.05 -0.08 -0.09 1.25 -0.73 0.00 0.00 179.01 179.31 1aiq h LEU 59 N -0.36 -0.30 -1.41 1.64 5.85 -0.99 0.11 115.31 119.84 1aiq h LEU 59 Ca -0.03 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1aiq h LEU 59 Cb 0.28 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1aiq h LEU 59 CO 0.04 -0.12 0.40 -0.07 -0.34 0.00 0.00 178.44 178.36 1aiq h LEU 60 N -0.05 0.69 -0.66 2.25 3.38 -1.01 -1.04 115.31 118.87 1aiq h LEU 60 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1aiq h LEU 60 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1aiq h LEU 60 CO -0.26 0.49 0.32 -0.25 0.09 0.00 0.00 178.44 178.84 1aiq h TRP 61 N 0.81 0.94 0.14 1.13 7.01 0.16 -2.82 115.95 123.31 1aiq h TRP 61 Ca 0.23 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1aiq h TRP 61 Cb -0.07 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.70 1aiq h TRP 61 CO -0.00 0.70 -0.07 0.74 -2.79 0.00 0.00 178.44 177.02 1aiq h PHE 62 N 0.91 -0.17 0.00 2.65 0.04 0.12 -2.82 116.94 117.67 1aiq h PHE 62 Ca 0.23 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1aiq h PHE 62 Cb 0.11 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1aiq h PHE 62 CO 0.00 -0.03 0.07 -0.07 -0.60 0.00 0.00 178.31 177.68 1aiq h LEU 63 N -0.27 0.00 -0.44 1.54 3.38 -1.06 0.89 115.31 119.34 1aiq h LEU 63 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1aiq h LEU 63 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1aiq h LEU 63 CO 0.03 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.29 1aiq n GLN 64 N -2.66 0.77 -2.45 1.13 1.13 -1.07 -4.92 117.38 109.31 1aiq n GLN 64 Ca -0.02 -0.44 -0.09 0.00 -1.94 0.00 0.00 57.00 54.51 1aiq n GLN 64 Cb 0.11 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 28.98 1aiq n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aiq n GLY 65 N 1.35 0.14 3.87 1.08 0.00 0.31 -5.02 105.19 106.91 1aiq n GLY 65 Ca 0.12 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1aiq n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aiq s ASP 66 N -2.81 6.43 0.00 1.61 2.15 -1.17 -4.26 116.67 118.63 1aiq s ASP 66 Ca 0.09 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1aiq s ASP 66 Cb -0.04 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 1aiq s ASP 66 CO 0.11 0.39 0.73 0.35 -0.17 0.00 0.00 175.17 176.57 1aiq n THR 67 N 2.04 0.50 -4.01 1.71 -2.24 -1.26 -4.27 114.28 106.75 1aiq n THR 67 Ca -0.19 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.54 1aiq n THR 67 Cb 0.55 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 69.46 1aiq n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1aiq s ASN 68 N -0.50 5.35 0.00 3.42 3.84 -1.26 -2.45 114.94 123.34 1aiq s ASN 68 Ca 0.00 -0.04 0.13 0.00 0.21 0.00 0.00 52.86 53.16 1aiq s ASN 68 Cb 0.00 -1.92 0.67 0.00 -0.55 0.00 0.00 41.25 39.45 1aiq s ASN 68 CO 0.00 0.11 1.29 2.30 -2.79 0.00 0.00 177.10 178.01 1aiq n ILE 69 N 3.93 0.51 -0.14 -5.21 -0.00 -0.57 -3.73 119.36 114.16 1aiq n ILE 69 Ca -0.17 0.13 -0.07 0.00 -0.00 0.00 0.00 62.75 62.64 1aiq n ILE 69 Cb 0.52 -0.92 -0.06 0.00 -0.00 0.00 0.00 39.64 39.18 1aiq n ILE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1aiq h ALA 70 N 2.65 -0.47 -1.07 -1.28 0.00 -1.92 0.32 119.26 117.49 1aiq h ALA 70 Ca 0.00 0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.22 1aiq h ALA 70 Cb 0.09 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1aiq h ALA 70 CO 0.00 -0.66 0.68 -0.92 0.00 0.00 0.00 179.25 178.36 1aiq h TYR 71 N -0.14 0.65 -0.07 0.00 5.03 -2.00 0.54 116.97 120.99 1aiq h TYR 71 Ca 0.06 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.26 1aiq h TYR 71 Cb 0.30 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.38 1aiq h TYR 71 CO -0.79 0.03 -0.56 -0.07 -1.32 0.00 0.00 178.16 175.44 1aiq h LEU 72 N 0.36 0.25 -0.23 2.82 3.38 -0.71 -2.98 115.31 118.20 1aiq h LEU 72 Ca 0.62 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.37 1aiq h LEU 72 Cb 1.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1aiq h LEU 72 CO -0.32 0.76 -0.18 0.45 0.09 0.00 0.00 178.44 179.24 1aiq h HIS 73 N 0.17 0.62 -1.50 1.13 3.86 0.21 0.21 115.15 119.85 1aiq h HIS 73 Ca -0.00 -0.18 0.44 0.00 -1.16 0.00 0.00 60.37 59.47 1aiq h HIS 73 Cb 1.04 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 29.32 1aiq h HIS 73 CO 0.02 0.84 1.08 0.93 0.86 0.00 0.00 177.93 181.66 1aiq h GLU 74 N 0.22 0.01 -0.29 2.45 5.08 -1.01 0.58 114.58 121.62 1aiq h GLU 74 Ca 0.04 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1aiq h GLU 74 Cb 0.72 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1aiq h GLU 74 CO 0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1aiq n ASN 75 N -4.10 3.59 -1.89 1.42 4.13 -0.79 -4.97 115.26 112.65 1aiq n ASN 75 Ca 0.33 -3.18 -0.18 0.00 1.68 0.00 0.00 54.58 53.23 1aiq n ASN 75 Cb 1.55 -0.57 -0.02 0.00 -1.54 0.00 0.00 39.78 39.20 1aiq n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1aiq n ASN 76 N -0.66 -5.20 -4.42 6.41 5.03 0.20 -4.98 115.26 111.64 1aiq n ASN 76 Ca 0.24 0.09 -0.35 0.00 0.87 0.00 0.00 54.58 55.43 1aiq n ASN 76 Cb 0.94 -4.28 -0.13 0.00 -1.02 0.00 0.00 39.78 35.29 1aiq n ASN 76 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1aiq s VAL 77 N -2.84 3.92 -0.19 2.41 0.11 0.68 -4.97 120.40 119.52 1aiq s VAL 77 Ca 0.00 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1aiq s VAL 77 Cb 0.00 -2.79 0.03 0.00 -1.53 0.00 0.00 36.38 32.09 1aiq s VAL 77 CO 0.00 0.41 0.77 1.07 -3.33 0.00 0.00 175.10 174.02 1aiq n THR 78 N 4.49 0.44 -0.12 5.04 5.66 -1.26 -3.77 114.28 124.75 1aiq n THR 78 Ca -0.17 -0.72 0.27 0.00 -3.05 0.00 0.00 64.05 60.38 1aiq n THR 78 Cb 0.51 0.80 0.72 0.00 -1.55 0.00 0.00 70.33 70.82 1aiq n THR 78 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 175.07 172.18 1aiq h ILE 79 N 0.33 0.49 -0.50 1.09 3.07 -1.97 -2.26 117.51 117.75 1aiq h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1aiq h ILE 79 Cb 0.28 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 1aiq h ILE 79 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1aiq n TRP 80 N -4.09 0.66 -0.13 0.16 7.02 -1.26 -4.67 117.44 115.13 1aiq n TRP 80 Ca 0.16 -0.37 -0.06 0.00 -1.02 0.00 0.00 57.50 56.22 1aiq n TRP 80 Cb 0.91 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.82 1aiq n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1aiq h ASP 81 N 4.00 0.28 -0.07 -0.99 5.19 -1.77 -2.96 116.42 120.10 1aiq h ASP 81 Ca 0.00 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1aiq h ASP 81 Cb 0.93 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 1aiq h ASP 81 CO 0.00 0.21 0.10 -0.33 -3.12 0.00 0.00 179.24 176.10 1aiq h GLU 82 N 0.41 0.00 0.00 3.56 3.07 -1.83 -2.97 114.58 116.82 1aiq h GLU 82 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1aiq h GLU 82 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1aiq h GLU 82 CO -0.14 0.00 -0.95 0.91 -1.40 0.00 0.00 179.01 177.43 1aiq n TRP 83 N -3.59 0.00 -2.54 4.33 8.01 -1.12 -5.01 117.44 117.52 1aiq n TRP 83 Ca -0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.84 1aiq n TRP 83 Cb 0.19 -0.03 -0.04 0.00 -2.01 0.00 0.00 31.31 29.42 1aiq n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1aiq s ALA 84 N -2.79 2.92 1.09 6.99 0.00 -1.12 -4.80 121.76 124.06 1aiq s ALA 84 Ca 0.06 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1aiq s ALA 84 Cb 0.14 -3.21 0.24 0.00 0.00 0.00 0.00 23.12 20.29 1aiq s ALA 84 CO 0.76 -0.25 1.14 -0.40 0.00 0.00 0.00 175.76 177.01 1aiq n ASP 85 N -1.08 -0.77 0.30 0.00 5.68 0.57 -4.77 116.55 116.48 1aiq n ASP 85 Ca 0.08 -1.31 0.19 0.00 -0.50 0.00 0.00 54.79 53.25 1aiq n ASP 85 Cb 0.53 -0.94 1.01 0.00 -1.14 0.00 0.00 41.12 40.58 1aiq n ASP 85 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1aiq h GLU 86 N 0.00 0.00 -0.00 0.11 4.81 -1.97 0.19 114.58 117.71 1aiq h GLU 86 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1aiq h GLU 86 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1aiq h GLU 86 CO 0.27 0.00 -0.56 0.09 -0.73 0.00 0.00 179.01 178.08 1aiq n ASN 87 N -3.28 1.03 0.00 1.04 4.13 -1.26 -4.94 115.26 111.98 1aiq n ASN 87 Ca -0.02 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1aiq n ASN 87 Cb 0.20 0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 1aiq n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aiq n GLY 88 N 1.45 0.85 3.85 7.41 0.00 0.05 -4.93 105.19 113.87 1aiq n GLY 88 Ca 0.07 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1aiq n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aiq s ASP 89 N -2.06 6.75 -0.00 1.61 1.01 -1.26 -1.51 116.67 121.20 1aiq s ASP 89 Ca 0.00 0.95 0.08 0.00 0.71 0.00 0.00 52.55 54.29 1aiq s ASP 89 Cb 0.00 -2.24 -0.09 0.00 1.01 0.00 0.00 42.92 41.60 1aiq s ASP 89 CO 0.00 0.15 0.34 0.18 0.21 0.00 0.00 175.17 176.05 1aiq n LEU 90 N 0.93 0.36 0.00 1.23 4.77 -1.02 -0.32 117.00 122.94 1aiq n LEU 90 Ca -0.07 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 1aiq n LEU 90 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1aiq n LEU 90 CO 0.42 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1aiq n GLY 91 N 1.27 -2.21 2.70 -0.72 0.00 -1.26 0.54 105.19 105.51 1aiq n GLY 91 Ca 0.01 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1aiq n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aiq n PRO 92 N -0.03 2.45 -0.11 1.61 -0.05 -1.26 -4.79 135.00 132.83 1aiq n PRO 92 Ca 0.00 -1.98 0.00 0.00 -0.05 0.00 0.00 63.50 61.47 1aiq n PRO 92 Cb 0.00 -2.84 0.00 0.00 -0.05 0.00 0.00 33.50 30.61 1aiq n PRO 92 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 175.50 176.78 1aiq n VAL 93 N 4.76 0.00 -0.13 0.52 0.24 -1.26 -4.54 118.33 117.91 1aiq n VAL 93 Ca 0.55 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.81 1aiq n VAL 93 Cb 0.28 -1.84 -0.03 0.00 -1.47 0.00 0.00 33.84 30.78 1aiq n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1aiq n TYR 94 N -1.25 -0.14 -0.21 6.34 4.01 -1.26 -0.59 117.16 124.06 1aiq n TYR 94 Ca 0.00 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1aiq n TYR 94 Cb 0.00 -0.52 0.12 0.00 -0.31 0.00 0.00 39.34 38.63 1aiq n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aiq h GLY 95 N 0.00 0.90 1.06 2.72 0.00 -1.78 0.04 103.07 105.99 1aiq h GLY 95 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1aiq h GLY 95 CO -0.30 -0.01 0.08 1.70 0.00 0.00 0.00 176.54 178.01 1aiq h LYS 96 N 0.44 1.05 -0.02 4.80 3.11 -1.03 -2.39 116.57 122.53 1aiq h LYS 96 Ca 0.32 -0.29 -0.16 0.00 -2.81 0.00 0.00 60.65 57.70 1aiq h LYS 96 Cb 0.39 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1aiq h LYS 96 CO -0.30 0.99 -0.70 1.96 -2.81 0.00 0.00 179.45 178.58 1aiq h GLN 97 N 0.96 0.14 -0.23 1.90 1.08 -1.20 0.23 115.11 117.99 1aiq h GLN 97 Ca 0.19 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1aiq h GLN 97 Cb 0.46 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1aiq h GLN 97 CO 0.02 0.78 -0.16 -1.49 -0.95 0.00 0.00 178.83 177.03 1aiq h TRP 98 N 0.09 0.61 0.00 2.96 4.06 -0.90 -3.30 115.95 119.46 1aiq h TRP 98 Ca -0.02 -0.17 -0.10 0.00 2.06 0.00 0.00 58.89 60.67 1aiq h TRP 98 Cb 1.25 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1aiq h TRP 98 CO 0.02 0.82 -1.97 0.54 -3.56 0.00 0.00 178.44 174.28 1aiq n ARG 99 N -4.46 0.66 -2.96 0.49 5.12 -0.91 -1.23 116.66 113.38 1aiq n ARG 99 Ca -0.05 -0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.64 1aiq n ARG 99 Cb 0.38 -1.57 0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1aiq n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aiq n ALA 100 N -2.38 0.71 -1.75 7.54 0.00 0.81 -3.85 120.51 121.59 1aiq n ALA 100 Ca -0.11 -2.45 -0.42 0.00 0.00 0.00 0.00 53.44 50.45 1aiq n ALA 100 Cb 0.73 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1aiq n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1aiq s TRP 101 N -1.14 1.43 0.01 0.00 -0.11 -0.16 -4.59 118.94 114.38 1aiq s TRP 101 Ca 0.31 -0.14 -0.30 0.00 1.22 0.00 0.00 56.10 57.19 1aiq s TRP 101 Cb 0.32 -4.13 -0.04 0.00 -1.50 0.00 0.00 33.47 28.13 1aiq s TRP 101 CO -0.06 -4.91 1.03 -1.25 -4.62 0.00 0.00 176.95 167.14 1aiq s PRO 102 N 4.70 4.53 0.49 5.86 0.04 -1.26 -0.44 135.00 148.91 1aiq s PRO 102 Ca 0.87 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 1aiq s PRO 102 Cb -0.38 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 1aiq s PRO 102 CO 0.38 -0.11 0.85 0.95 0.04 0.00 0.00 177.00 179.11 1aiq s THR 103 N 1.06 4.80 0.11 1.26 -4.23 0.03 -4.94 115.64 113.75 1aiq s THR 103 Ca 0.53 0.55 0.31 0.00 -1.18 0.00 0.00 61.69 61.91 1aiq s THR 103 Cb -0.23 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.11 1aiq s THR 103 CO 0.28 -0.80 1.95 1.55 -0.54 0.00 0.00 174.62 177.05 1aiq h PRO 104 N 0.47 0.00 -0.56 3.99 0.14 -1.96 -1.81 132.00 132.27 1aiq h PRO 104 Ca -0.46 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1aiq h PRO 104 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.33 1aiq h PRO 104 CO 0.62 0.00 0.00 -0.40 0.14 0.00 0.00 178.00 178.36 1aiq n ASP 105 N -2.60 3.59 0.00 1.44 5.68 -1.26 -4.96 116.55 118.44 1aiq n ASP 105 Ca -0.02 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1aiq n ASP 105 Cb 0.08 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 1aiq n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aiq n GLY 106 N 1.57 0.18 3.95 6.12 0.00 -0.68 -5.09 105.19 111.24 1aiq n GLY 106 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1aiq n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aiq s ARG 107 N -0.89 0.80 0.02 1.61 0.52 -1.26 -4.82 118.95 114.92 1aiq s ARG 107 Ca 0.00 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1aiq s ARG 107 Cb 0.00 -1.97 -0.01 0.00 0.52 0.00 0.00 34.95 33.49 1aiq s ARG 107 CO 0.00 -2.24 -0.04 -1.01 0.02 0.00 0.00 175.30 172.03 1aiq s HIS 108 N -3.72 0.37 -0.06 -0.53 3.76 -1.26 -0.79 115.29 113.06 1aiq s HIS 108 Ca 0.73 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 1aiq s HIS 108 Cb -0.03 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.41 1aiq s HIS 108 CO 0.51 -0.09 -0.22 0.42 -0.85 0.00 0.00 174.74 174.51 1aiq s ILE 109 N -0.89 2.29 -0.52 0.60 1.01 0.41 -4.88 121.20 119.23 1aiq s ILE 109 Ca -0.08 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 1aiq s ILE 109 Cb -0.07 -1.86 0.11 0.00 0.01 0.00 0.00 42.46 40.66 1aiq s ILE 109 CO -0.00 0.57 0.46 -0.62 0.00 0.00 0.00 174.94 175.34 1aiq s ASP 110 N -0.18 6.13 0.32 3.58 -1.08 -1.25 -0.99 116.67 123.20 1aiq s ASP 110 Ca -0.03 -1.68 0.08 0.00 -0.52 0.00 0.00 52.55 50.41 1aiq s ASP 110 Cb -0.14 -2.18 0.53 0.00 -1.46 0.00 0.00 42.92 39.67 1aiq s ASP 110 CO 0.04 -0.79 1.74 1.56 0.52 0.00 0.00 175.17 178.23 1aiq h GLN 111 N 8.81 0.17 -0.20 4.34 4.20 -1.41 -1.63 115.11 129.40 1aiq h GLN 111 Ca -0.29 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.27 1aiq h GLN 111 Cb 1.10 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1aiq h GLN 111 CO 0.98 0.55 -0.19 0.82 -0.67 0.00 0.00 178.83 180.32 1aiq h ILE 112 N 0.14 1.33 -0.81 2.54 1.08 -1.89 -0.31 117.51 119.59 1aiq h ILE 112 Ca 0.01 -1.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.10 1aiq h ILE 112 Cb 0.77 1.77 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 1aiq h ILE 112 CO 0.06 0.41 0.38 0.74 -0.69 0.00 0.00 178.15 179.05 1aiq h THR 113 N 0.15 1.25 -0.02 -0.27 2.02 -1.87 0.58 112.91 114.75 1aiq h THR 113 Ca 0.03 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1aiq h THR 113 Cb 0.73 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1aiq h THR 113 CO 0.05 0.31 0.01 0.74 0.37 0.00 0.00 175.52 177.00 1aiq h THR 114 N 1.15 1.04 -0.88 3.16 2.02 -1.20 -0.48 112.91 117.72 1aiq h THR 114 Ca 0.28 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1aiq h THR 114 Cb 0.13 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1aiq h THR 114 CO -0.03 0.03 0.46 0.58 0.37 0.00 0.00 175.52 176.93 1aiq h VAL 115 N -0.01 1.26 -0.08 3.16 2.07 -0.69 -0.22 116.25 121.74 1aiq h VAL 115 Ca 0.01 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1aiq h VAL 115 Cb 0.04 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1aiq h VAL 115 CO -0.00 0.30 -0.01 -0.07 0.02 0.00 0.00 177.57 177.81 1aiq h LEU 116 N 1.25 -0.04 -1.48 2.57 -0.00 -0.54 -0.13 115.31 116.93 1aiq h LEU 116 Ca 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.16 1aiq h LEU 116 Cb 0.06 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1aiq h LEU 116 CO -0.05 -0.01 -0.15 0.78 -0.00 0.00 0.00 178.44 179.01 1aiq h ASN 117 N 0.02 0.14 -0.21 -0.43 -0.26 -0.64 -1.68 115.58 112.52 1aiq h ASN 117 Ca 0.03 -0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.63 1aiq h ASN 117 Cb 0.05 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1aiq h ASN 117 CO -0.07 0.31 -0.33 1.56 -1.06 0.00 0.00 177.43 177.84 1aiq h GLN 118 N 0.14 0.59 -0.17 0.81 4.20 -0.50 0.12 115.11 120.30 1aiq h GLN 118 Ca 0.03 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 1aiq h GLN 118 Cb 0.36 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1aiq h GLN 118 CO 0.02 0.97 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.92 1aiq h LEU 119 N 0.27 0.26 0.18 1.46 3.38 -0.72 0.32 115.31 120.46 1aiq h LEU 119 Ca 0.02 -0.06 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 1aiq h LEU 119 Cb 0.92 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.62 1aiq h LEU 119 CO 0.08 0.45 -1.22 0.11 0.09 0.00 0.00 178.44 177.95 1aiq h LYS 120 N 0.26 0.38 0.00 1.13 1.57 -1.17 -3.34 116.57 115.40 1aiq h LYS 120 Ca 0.05 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1aiq h LYS 120 Cb 0.45 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1aiq h LYS 120 CO 0.03 1.31 -1.69 0.09 -0.57 0.00 0.00 179.45 178.62 1aiq n ASN 121 N -3.92 0.45 -2.90 0.86 4.13 0.41 -4.75 115.26 109.54 1aiq n ASN 121 Ca -0.18 -0.25 -0.13 0.00 1.68 0.00 0.00 54.58 55.71 1aiq n ASN 121 Cb 0.95 1.70 0.04 0.00 -1.54 0.00 0.00 39.78 40.93 1aiq n ASN 121 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1aiq n ASP 122 N -2.03 -1.33 0.33 6.41 2.03 0.11 -4.99 116.55 117.07 1aiq n ASP 122 Ca -0.02 -3.36 0.21 0.00 0.52 0.00 0.00 54.79 52.14 1aiq n ASP 122 Cb 0.48 0.98 1.14 0.00 -0.72 0.00 0.00 41.12 43.00 1aiq n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aiq h PRO 123 N 3.26 0.00 -0.00 -0.67 0.13 -1.54 -1.77 132.00 131.40 1aiq h PRO 123 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1aiq h PRO 123 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1aiq h PRO 123 CO 0.29 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.72 1aiq n ASP 124 N -3.29 0.22 -4.55 1.44 8.00 -1.26 -3.96 116.55 113.15 1aiq n ASP 124 Ca -0.03 -0.13 -0.45 0.00 0.71 0.00 0.00 54.79 54.90 1aiq n ASP 124 Cb 0.08 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 1aiq n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1aiq n SER 125 N -1.26 0.74 -0.98 -2.24 2.88 -0.67 -4.86 113.62 107.23 1aiq n SER 125 Ca 0.11 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.90 1aiq n SER 125 Cb 0.29 -1.22 0.26 0.00 -0.75 0.00 0.00 64.21 62.79 1aiq n SER 125 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aiq n GLU 126 N 0.75 2.25 -2.60 -1.46 1.02 -1.26 -4.35 120.64 114.98 1aiq n GLU 126 Ca 0.11 -1.92 -0.12 0.00 -0.02 0.00 0.00 57.16 55.20 1aiq n GLU 126 Cb 0.31 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1aiq n GLU 126 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1aiq n ARG 127 N 1.08 1.95 -2.96 3.49 1.85 -1.26 -4.96 116.66 115.85 1aiq n ARG 127 Ca 0.18 -3.65 -0.44 0.00 -1.00 0.00 0.00 57.85 52.95 1aiq n ARG 127 Cb 0.47 -1.62 -0.01 0.00 -1.05 0.00 0.00 32.46 30.26 1aiq n ARG 127 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1aiq s ILE 128 N -3.90 4.95 0.07 8.89 1.01 -1.26 -4.96 121.20 126.00 1aiq s ILE 128 Ca 0.33 -2.19 0.08 0.00 0.00 0.00 0.00 60.65 58.87 1aiq s ILE 128 Cb 0.42 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1aiq s ILE 128 CO -0.03 -1.54 -0.21 -0.63 0.00 0.00 0.00 174.94 172.54 1aiq s ILE 129 N 1.94 1.66 -0.08 2.92 1.01 -1.26 -0.74 121.20 126.65 1aiq s ILE 129 Ca 0.37 -1.35 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1aiq s ILE 129 Cb -0.04 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1aiq s ILE 129 CO -0.05 0.08 -0.12 -0.69 0.00 0.00 0.00 174.94 174.16 1aiq s VAL 130 N -0.97 1.19 -0.06 2.92 1.01 0.00 -4.91 120.40 119.59 1aiq s VAL 130 Ca 0.07 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1aiq s VAL 130 Cb -0.09 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1aiq s VAL 130 CO 0.03 0.37 -0.21 -0.55 0.00 0.00 0.00 175.10 174.74 1aiq s SER 131 N 0.89 2.66 0.00 3.32 0.15 -1.26 -1.04 113.70 118.42 1aiq s SER 131 Ca -0.10 -0.44 0.18 0.00 0.70 0.00 0.00 55.95 56.29 1aiq s SER 131 Cb -0.15 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 1aiq s SER 131 CO 0.01 0.20 0.89 0.00 1.20 0.00 0.00 173.24 175.53 1aiq n ALA 132 N 3.10 3.56 -2.48 5.45 0.00 0.10 -4.73 120.51 125.50 1aiq n ALA 132 Ca -0.18 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1aiq n ALA 132 Cb 0.52 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1aiq n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1aiq n TRP 133 N -0.43 4.47 -3.01 0.00 -0.00 -1.18 -4.87 117.44 112.42 1aiq n TRP 133 Ca 0.06 -2.93 -0.44 0.00 -0.00 0.00 0.00 57.50 54.19 1aiq n TRP 133 Cb 0.36 -2.54 -0.03 0.00 -0.00 0.00 0.00 31.31 29.10 1aiq n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1aiq s ASN 134 N 3.74 6.61 0.39 5.87 3.04 -1.26 -4.90 114.94 128.42 1aiq s ASN 134 Ca 0.51 -2.08 0.22 0.00 0.04 0.00 0.00 52.86 51.54 1aiq s ASN 134 Cb 0.05 -2.36 1.26 0.00 -1.54 0.00 0.00 41.25 38.66 1aiq s ASN 134 CO 0.04 -0.99 1.65 0.58 -3.04 0.00 0.00 177.10 175.33 1aiq h VAL 135 N 5.65 0.21 0.00 -5.21 2.07 -2.02 0.12 116.25 117.07 1aiq h VAL 135 Ca 0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1aiq h VAL 135 Cb 1.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1aiq h VAL 135 CO 1.04 0.04 0.00 0.61 0.02 0.00 0.00 177.57 179.28 1aiq n GLY 136 N -1.39 -0.87 0.00 2.17 0.00 -1.26 -3.54 105.19 100.30 1aiq n GLY 136 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1aiq n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aiq n GLU 137 N -1.12 -0.25 -0.27 1.61 1.02 0.41 -4.82 120.64 117.22 1aiq n GLU 137 Ca 0.15 -0.37 0.05 0.00 -0.02 0.00 0.00 57.16 56.97 1aiq n GLU 137 Cb 0.12 -0.77 0.19 0.00 -0.02 0.00 0.00 31.44 30.97 1aiq n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1aiq h LEU 138 N 0.00 0.45 0.00 -4.62 3.38 -1.57 0.86 115.31 113.82 1aiq h LEU 138 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1aiq h LEU 138 Cb 0.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1aiq h LEU 138 CO 0.00 0.21 0.00 -0.90 0.09 0.00 0.00 178.44 177.84 1aiq n ASP 139 N -4.90 0.00 0.04 -0.43 5.75 -1.26 -1.81 116.55 113.93 1aiq n ASP 139 Ca 0.15 0.06 0.11 0.00 -0.01 0.00 0.00 54.79 55.10 1aiq n ASP 139 Cb 0.39 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1aiq n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aiq n LYS 140 N -1.30 0.49 -2.69 0.11 4.01 0.28 -4.94 118.16 114.12 1aiq n LYS 140 Ca 0.08 -0.03 -0.36 0.00 -0.51 0.00 0.00 58.31 57.49 1aiq n LYS 140 Cb 0.15 -1.64 -0.06 0.00 -0.51 0.00 0.00 35.03 32.98 1aiq n LYS 140 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1aiq s MET 141 N -3.34 4.37 0.39 1.97 -1.94 -0.75 -4.39 119.30 115.61 1aiq s MET 141 Ca -0.01 1.38 0.20 0.00 -1.71 0.00 0.00 55.69 55.54 1aiq s MET 141 Cb 0.13 -2.62 0.73 0.00 2.01 0.00 0.00 34.83 35.08 1aiq s MET 141 CO 0.83 0.07 1.75 0.00 -0.01 0.00 0.00 175.02 177.67 1aiq h ALA 142 N 2.74 1.00 -2.36 3.03 0.00 -0.22 -3.43 119.26 120.02 1aiq h ALA 142 Ca -0.48 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 1aiq h ALA 142 Cb 1.20 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.69 1aiq h ALA 142 CO 0.63 0.42 -0.20 -1.17 0.00 0.00 0.00 179.25 178.94 1aiq s LEU 143 N -6.99 -0.56 0.35 0.00 2.96 -1.26 -5.05 118.68 108.12 1aiq s LEU 143 Ca 0.00 1.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.80 1aiq s LEU 143 Cb 0.11 1.76 -0.11 0.00 0.50 0.00 0.00 46.19 48.45 1aiq s LEU 143 CO 0.68 -0.22 1.39 0.00 -1.32 0.00 0.00 176.35 176.88 1aiq s ALA 144 N 1.86 3.53 0.24 5.97 0.00 -1.26 -4.90 121.76 127.21 1aiq s ALA 144 Ca -0.08 1.40 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1aiq s ALA 144 Cb -0.08 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 1aiq s ALA 144 CO -0.16 -0.83 1.24 -2.30 0.00 0.00 0.00 175.76 173.72 1aiq n PRO 145 N 0.66 1.63 -0.11 0.00 -0.02 -1.26 -4.93 135.00 130.97 1aiq n PRO 145 Ca 0.00 0.58 -0.23 0.00 -2.02 0.00 0.00 63.50 61.83 1aiq n PRO 145 Cb 0.41 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1aiq n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aiq s HIS 147 N -2.39 2.97 -0.06 0.00 0.00 -1.26 -1.74 115.29 112.81 1aiq s HIS 147 Ca -0.31 -1.04 0.12 0.00 -3.00 0.00 0.00 55.06 50.83 1aiq s HIS 147 Cb 0.08 -4.22 -0.23 0.00 -4.00 0.00 0.00 32.58 24.21 1aiq s HIS 147 CO 0.57 -1.49 0.62 0.00 -1.00 0.00 0.00 174.74 173.44 1aiq n ALA 148 N 6.81 1.45 -3.62 -1.38 0.00 -1.01 -4.80 120.51 117.96 1aiq n ALA 148 Ca 0.07 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.63 1aiq n ALA 148 Cb 0.46 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1aiq n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1aiq s PHE 149 N -2.59 -0.72 0.04 0.00 2.19 -1.21 -0.72 117.98 114.97 1aiq s PHE 149 Ca -0.06 1.53 0.02 0.00 0.33 0.00 0.00 56.93 58.74 1aiq s PHE 149 Cb 0.08 0.35 -0.02 0.00 -1.31 0.00 0.00 43.02 42.11 1aiq s PHE 149 CO 0.82 -0.38 -0.06 -0.59 1.83 0.00 0.00 175.22 176.84 1aiq s PHE 150 N 1.23 0.56 -0.01 10.12 -0.71 -0.21 -0.14 117.98 128.82 1aiq s PHE 150 Ca -0.08 -0.53 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 1aiq s PHE 150 Cb -0.07 -0.35 -0.00 0.00 -1.21 0.00 0.00 43.02 41.39 1aiq s PHE 150 CO -0.12 -0.12 -0.10 -1.14 -1.34 0.00 0.00 175.22 172.40 1aiq s GLN 151 N -1.64 0.89 0.24 1.99 0.74 0.44 -0.82 119.66 121.50 1aiq s GLN 151 Ca -0.11 -0.35 0.06 0.00 0.05 0.00 0.00 55.36 55.00 1aiq s GLN 151 Cb -0.09 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.14 1aiq s GLN 151 CO -0.00 0.19 0.31 -0.06 -0.55 0.00 0.00 175.29 175.18 1aiq s PHE 152 N -0.10 3.36 -0.26 1.67 0.08 0.08 -0.10 117.98 122.70 1aiq s PHE 152 Ca 0.02 -0.04 -0.23 0.00 0.12 0.00 0.00 56.93 56.79 1aiq s PHE 152 Cb -0.06 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.94 1aiq s PHE 152 CO -0.00 0.46 0.69 -0.47 -0.10 0.00 0.00 175.22 175.80 1aiq s TYR 153 N -2.02 -0.78 -0.06 0.36 6.14 -0.62 -4.45 117.35 115.91 1aiq s TYR 153 Ca 0.34 1.87 0.05 0.00 0.64 0.00 0.00 57.07 59.97 1aiq s TYR 153 Cb -0.09 0.29 -0.01 0.00 0.42 0.00 0.00 41.96 42.58 1aiq s TYR 153 CO 0.28 -0.38 -0.22 0.08 0.64 0.00 0.00 175.55 175.95 1aiq s VAL 154 N 0.48 1.82 -0.19 3.14 1.01 -1.25 -0.69 120.40 124.70 1aiq s VAL 154 Ca -0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1aiq s VAL 154 Cb -0.05 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.86 1aiq s VAL 154 CO -0.01 0.51 0.43 0.00 0.00 0.00 0.00 175.10 176.03 1aiq s ALA 155 N -0.01 -1.16 -1.30 5.51 0.00 -0.97 -4.81 121.76 119.02 1aiq s ALA 155 Ca -0.06 1.56 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 1aiq s ALA 155 Cb -0.14 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 1aiq s ALA 155 CO 0.04 -0.57 0.72 -0.25 0.00 0.00 0.00 175.76 175.69 1aiq n ASP 156 N 4.96 -1.20 0.00 0.00 8.00 -1.26 -1.77 116.55 125.28 1aiq n ASP 156 Ca -0.14 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1aiq n ASP 156 Cb 0.52 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1aiq n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aiq n GLY 157 N -1.54 0.13 3.74 0.44 0.00 -1.26 -4.97 105.19 101.73 1aiq n GLY 157 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1aiq n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aiq s LYS 158 N -1.46 3.06 -0.32 1.61 1.02 -0.73 -0.00 119.74 122.93 1aiq s LYS 158 Ca 0.00 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 1aiq s LYS 158 Cb 0.00 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1aiq s LYS 158 CO 0.00 0.70 0.19 -1.17 -0.92 0.00 0.00 175.35 174.15 1aiq s LEU 159 N -1.16 4.25 0.30 3.17 2.96 0.26 -2.30 118.68 126.16 1aiq s LEU 159 Ca 0.16 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1aiq s LEU 159 Cb -0.12 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1aiq s LEU 159 CO 0.06 -0.19 0.12 -0.44 -1.32 0.00 0.00 176.35 174.58 1aiq s SER 160 N 1.68 4.83 -0.09 3.68 0.01 0.13 -0.53 113.70 123.41 1aiq s SER 160 Ca 0.06 -0.62 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 1aiq s SER 160 Cb -0.17 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.19 1aiq s SER 160 CO 0.08 -0.17 0.23 0.00 0.41 0.00 0.00 173.24 173.80 1aiq s GLN 162 N 0.41 2.86 -0.09 0.00 0.74 0.85 -0.76 119.66 123.67 1aiq s GLN 162 Ca -0.02 -0.88 0.01 0.00 0.05 0.00 0.00 55.36 54.52 1aiq s GLN 162 Cb -0.04 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.81 1aiq s GLN 162 CO -0.02 0.24 -0.10 -1.17 -0.55 0.00 0.00 175.29 173.69 1aiq s LEU 163 N 0.19 2.93 -0.31 3.68 0.20 -0.57 -0.42 118.68 124.38 1aiq s LEU 163 Ca -0.14 -0.17 -0.08 0.00 0.69 0.00 0.00 54.13 54.42 1aiq s LEU 163 Cb -0.17 -1.64 0.00 0.00 -0.43 0.00 0.00 46.19 43.95 1aiq s LEU 163 CO 0.07 0.27 0.12 -0.47 -0.29 0.00 0.00 176.35 176.06 1aiq s TYR 164 N -0.28 3.17 -0.37 5.38 6.14 0.81 -1.20 117.35 131.00 1aiq s TYR 164 Ca 0.03 -0.78 -0.07 0.00 0.64 0.00 0.00 57.07 56.88 1aiq s TYR 164 Cb -0.13 -2.32 0.05 0.00 0.42 0.00 0.00 41.96 39.99 1aiq s TYR 164 CO 0.03 -0.52 0.17 -1.14 0.64 0.00 0.00 175.55 174.72 1aiq s GLN 165 N 1.56 2.59 0.35 4.97 0.74 0.14 -2.39 119.66 127.61 1aiq s GLN 165 Ca 0.03 -1.30 0.09 0.00 0.05 0.00 0.00 55.36 54.24 1aiq s GLN 165 Cb -0.17 -3.59 0.64 0.00 1.10 0.00 0.00 33.01 30.99 1aiq s GLN 165 CO 0.05 -0.78 1.81 0.07 -0.55 0.00 0.00 175.29 175.89 1aiq h ARG 166 N 8.28 0.19 -3.86 1.67 -0.00 -1.62 0.54 114.38 119.58 1aiq h ARG 166 Ca -0.23 -0.07 -0.32 0.00 -0.00 0.00 0.00 59.98 59.37 1aiq h ARG 166 Cb 1.08 -0.01 -0.32 0.00 -0.00 0.00 0.00 29.97 30.72 1aiq h ARG 166 CO 0.66 0.47 -0.74 0.45 -0.00 0.00 0.00 179.97 180.81 1aiq s SER 167 N -6.89 0.39 -0.06 0.08 0.15 -1.26 -0.91 113.70 105.21 1aiq s SER 167 Ca -0.05 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.55 1aiq s SER 167 Cb 0.14 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1aiq s SER 167 CO 0.75 -0.04 0.03 0.00 1.20 0.00 0.00 173.24 175.18 1aiq s ASP 169 N 2.08 6.25 0.23 0.00 -1.08 -1.26 -1.35 116.67 121.53 1aiq s ASP 169 Ca 0.05 -1.05 -0.07 0.00 -0.52 0.00 0.00 52.55 50.96 1aiq s ASP 169 Cb -0.12 -2.45 0.36 0.00 -1.46 0.00 0.00 42.92 39.25 1aiq s ASP 169 CO -0.04 -1.48 1.74 0.58 0.52 0.00 0.00 175.17 176.50 1aiq h VAL 170 N 6.02 0.74 0.01 1.11 2.07 -1.40 -0.35 116.25 124.45 1aiq h VAL 170 Ca -0.20 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1aiq h VAL 170 Cb 1.06 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1aiq h VAL 170 CO 1.21 0.08 -0.15 0.15 0.02 0.00 0.00 177.57 178.88 1aiq h PHE 171 N 0.46 0.13 0.00 1.57 3.04 -1.91 -3.34 116.94 116.89 1aiq h PHE 171 Ca 0.36 -0.08 -0.15 0.00 3.98 0.00 0.00 57.97 62.08 1aiq h PHE 171 Cb 0.48 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1aiq h PHE 171 CO -0.16 0.92 -0.90 1.25 -2.02 0.00 0.00 178.31 177.41 1aiq h LEU 172 N -0.69 0.00 0.01 0.59 5.85 -1.96 -3.43 115.31 115.68 1aiq h LEU 172 Ca -0.02 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 1aiq h LEU 172 Cb 0.97 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.01 1aiq h LEU 172 CO 0.03 1.27 -0.25 1.23 -0.34 0.00 0.00 178.44 180.38 1aiq h GLY 173 N -1.00 0.18 -0.38 3.75 0.00 -1.35 -3.40 103.07 100.87 1aiq h GLY 173 Ca -0.23 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 46.86 1aiq h GLY 173 CO -0.14 0.28 -0.43 -2.00 0.00 0.00 0.00 176.54 174.26 1aiq h LEU 174 N -0.54 -1.44 -1.40 3.11 5.85 -1.41 -1.56 115.31 117.91 1aiq h LEU 174 Ca -0.03 0.23 0.17 0.00 0.84 0.00 0.00 57.88 59.08 1aiq h LEU 174 Cb 1.03 0.64 -0.07 0.00 0.37 0.00 0.00 40.66 42.63 1aiq h LEU 174 CO 0.05 -0.35 0.57 -0.65 -0.34 0.00 0.00 178.44 177.72 1aiq h PRO 175 N -0.27 0.53 -0.05 5.25 0.11 -1.78 -0.85 132.00 134.93 1aiq h PRO 175 Ca 0.16 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1aiq h PRO 175 Cb 0.57 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1aiq h PRO 175 CO -0.63 0.35 -0.02 0.35 -0.21 0.00 0.00 178.00 177.84 1aiq h PHE 176 N 0.55 0.12 -0.42 0.65 3.57 -1.53 -3.07 116.94 116.80 1aiq h PHE 176 Ca 0.45 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 1aiq h PHE 176 Cb 0.90 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1aiq h PHE 176 CO -0.00 0.48 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.64 1aiq h ASN 177 N -0.27 0.65 -0.48 0.41 -0.26 -0.39 -1.78 115.58 113.46 1aiq h ASN 177 Ca 0.01 -0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.52 1aiq h ASN 177 Cb 0.45 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 1aiq h ASN 177 CO 0.01 0.73 -0.03 0.40 -1.06 0.00 0.00 177.43 177.48 1aiq h ILE 178 N 0.65 1.27 -0.23 2.81 2.04 -1.24 -2.55 117.51 120.25 1aiq h ILE 178 Ca 0.13 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 1aiq h ILE 178 Cb 0.42 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1aiq h ILE 178 CO 0.02 0.39 -0.23 0.00 0.00 0.00 0.00 178.15 178.33 1aiq h ALA 179 N 0.91 0.33 0.01 1.87 0.00 -1.48 -1.85 119.26 119.05 1aiq h ALA 179 Ca 0.13 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1aiq h ALA 179 Cb 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1aiq h ALA 179 CO 0.03 0.29 -0.38 1.03 0.00 0.00 0.00 179.25 180.22 1aiq h SER 180 N 0.25 -1.16 0.11 0.00 0.87 -1.31 0.19 113.55 112.50 1aiq h SER 180 Ca 0.04 0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1aiq h SER 180 Cb 0.78 0.46 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1aiq h SER 180 CO 0.06 -0.44 -0.32 1.88 -0.53 0.00 0.00 176.83 177.48 1aiq h TYR 181 N -0.55 0.36 -0.32 2.24 -1.99 -1.49 -1.08 116.97 114.15 1aiq h TYR 181 Ca 0.05 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1aiq h TYR 181 Cb 0.62 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 1aiq h TYR 181 CO -0.39 0.60 0.10 0.00 -0.00 0.00 0.00 178.16 178.47 1aiq h ALA 182 N 1.39 0.42 -0.20 3.88 0.00 -1.00 -0.88 119.26 122.87 1aiq h ALA 182 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1aiq h ALA 182 Cb 0.70 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1aiq h ALA 182 CO 0.05 0.06 -0.09 1.25 0.00 0.00 0.00 179.25 180.52 1aiq h LEU 183 N 0.36 -0.31 -0.85 0.00 7.12 -0.21 -1.86 115.31 119.55 1aiq h LEU 183 Ca 0.10 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.27 1aiq h LEU 183 Cb 0.25 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.48 1aiq h LEU 183 CO -0.00 -0.12 0.51 0.25 -0.13 0.00 0.00 178.44 178.95 1aiq h LEU 184 N -0.07 0.76 -1.08 2.25 5.85 -0.82 -0.99 115.31 121.22 1aiq h LEU 184 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1aiq h LEU 184 Cb 0.23 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1aiq h LEU 184 CO -0.24 0.46 0.56 0.58 -0.34 0.00 0.00 178.44 179.45 1aiq h VAL 185 N 0.88 1.24 -0.49 1.05 2.07 -0.40 -1.55 116.25 119.05 1aiq h VAL 185 Ca 0.40 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 1aiq h VAL 185 Cb 0.30 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1aiq h VAL 185 CO -0.22 0.24 -0.01 0.45 0.02 0.00 0.00 177.57 178.05 1aiq h HIS 186 N 1.21 0.89 -0.18 1.57 3.86 -0.50 -1.15 115.15 120.84 1aiq h HIS 186 Ca 0.32 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 1aiq h HIS 186 Cb -0.09 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.14 1aiq h HIS 186 CO 0.00 0.82 -0.47 0.52 0.86 0.00 0.00 177.93 179.67 1aiq h MET 187 N 0.77 0.63 -0.48 2.45 2.07 -1.01 -2.43 114.93 116.94 1aiq h MET 187 Ca 0.15 -0.44 -0.02 0.00 -2.07 0.00 0.00 59.70 57.32 1aiq h MET 187 Cb 0.48 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 1aiq h MET 187 CO 0.02 1.06 0.22 0.52 1.07 0.00 0.00 176.91 179.81 1aiq h MET 188 N 0.31 0.69 -0.39 1.72 2.86 -1.19 -0.84 114.93 118.09 1aiq h MET 188 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1aiq h MET 188 Cb 1.08 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1aiq h MET 188 CO 0.10 0.59 0.26 0.00 1.06 0.00 0.00 176.91 178.92 1aiq h ALA 189 N 1.07 0.50 -0.49 6.32 0.00 -1.24 -0.62 119.26 124.79 1aiq h ALA 189 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1aiq h ALA 189 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1aiq h ALA 189 CO -0.02 -0.04 0.22 0.37 0.00 0.00 0.00 179.25 179.78 1aiq h GLN 190 N 0.53 0.71 0.00 0.00 4.15 -1.13 0.44 115.11 119.81 1aiq h GLN 190 Ca 0.14 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1aiq h GLN 190 Cb -0.06 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1aiq h GLN 190 CO -0.03 0.61 0.00 1.96 -1.93 0.00 0.00 178.83 179.44 1aiq h GLN 191 N 0.65 0.00 -0.26 1.69 1.08 -0.97 -2.94 115.11 114.36 1aiq h GLN 191 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 1aiq h GLN 191 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1aiq h GLN 191 CO -0.02 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.86 1aiq n ASP 193 N 0.26 -2.30 -4.46 0.00 8.00 0.13 -4.96 116.55 113.21 1aiq n ASP 193 Ca 0.09 -0.99 -0.22 0.00 0.71 0.00 0.00 54.79 54.37 1aiq n ASP 193 Cb 0.39 -3.26 -0.10 0.00 -0.02 0.00 0.00 41.12 38.12 1aiq n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1aiq s LEU 194 N -6.76 2.46 0.37 0.64 1.43 0.33 -5.02 118.68 112.13 1aiq s LEU 194 Ca 0.18 -1.26 -0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1aiq s LEU 194 Cb -0.07 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1aiq s LEU 194 CO 0.87 -0.42 0.63 -0.70 0.23 0.00 0.00 176.35 176.96 1aiq s GLU 195 N -3.77 3.55 0.10 1.70 2.56 1.00 -4.42 118.70 119.42 1aiq s GLU 195 Ca 0.32 -0.06 -0.24 0.00 0.00 0.00 0.00 54.97 54.99 1aiq s GLU 195 Cb 0.06 -2.56 -0.07 0.00 2.00 0.00 0.00 34.13 33.56 1aiq s GLU 195 CO 0.14 0.06 0.74 0.14 -0.56 0.00 0.00 175.26 175.78 1aiq s VAL 196 N -2.38 4.59 0.00 3.70 -7.23 -1.26 0.89 120.40 118.70 1aiq s VAL 196 Ca 0.44 1.60 0.00 0.00 -1.81 0.00 0.00 61.98 62.21 1aiq s VAL 196 Cb -0.10 -4.10 0.00 0.00 0.56 0.00 0.00 36.38 32.74 1aiq s VAL 196 CO 0.37 0.45 0.00 0.61 -0.31 0.00 0.00 175.10 176.22 1aiq n GLY 197 N 1.99 1.07 3.79 2.32 0.00 0.31 -4.47 105.19 110.20 1aiq n GLY 197 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1aiq n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aiq s ASP 198 N -0.11 5.71 -0.28 1.61 1.01 -1.26 -0.49 116.67 122.86 1aiq s ASP 198 Ca 0.00 0.12 -0.05 0.00 0.71 0.00 0.00 52.55 53.33 1aiq s ASP 198 Cb 0.00 -1.63 0.02 0.00 1.01 0.00 0.00 42.92 42.32 1aiq s ASP 198 CO 0.00 0.24 0.04 0.12 0.21 0.00 0.00 175.17 175.78 1aiq s PHE 199 N -1.26 3.14 -0.22 4.23 5.36 0.21 -1.39 117.98 128.05 1aiq s PHE 199 Ca 0.25 -1.23 -0.08 0.00 -0.96 0.00 0.00 56.93 54.92 1aiq s PHE 199 Cb -0.12 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1aiq s PHE 199 CO 0.17 -0.64 0.08 0.08 -1.46 0.00 0.00 175.22 173.44 1aiq s VAL 200 N 1.43 4.62 -0.19 3.12 1.01 0.06 0.04 120.40 130.49 1aiq s VAL 200 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1aiq s VAL 200 Cb -0.17 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1aiq s VAL 200 CO 0.00 0.39 -0.04 0.86 0.00 0.00 0.00 175.10 176.32 1aiq s TRP 201 N 1.03 2.98 -0.11 5.22 -0.00 0.71 -1.51 118.94 127.27 1aiq s TRP 201 Ca 0.04 -0.60 0.03 0.00 -0.00 0.00 0.00 56.10 55.58 1aiq s TRP 201 Cb -0.14 -2.04 0.01 0.00 -0.00 0.00 0.00 33.47 31.30 1aiq s TRP 201 CO 0.03 -0.30 -0.21 0.99 -0.00 0.00 0.00 176.95 177.46 1aiq s THR 202 N 0.96 1.92 0.19 5.86 2.01 -0.34 -0.84 115.64 125.41 1aiq s THR 202 Ca 0.00 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.17 1aiq s THR 202 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1aiq s THR 202 CO 0.01 0.53 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.55 1aiq s GLY 203 N 0.58 1.72 0.00 4.40 0.00 -0.30 0.25 107.32 113.97 1aiq s GLY 203 Ca -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1aiq s GLY 203 CO 0.04 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1aiq n GLY 204 N -0.07 0.23 3.57 0.20 0.00 0.19 -2.89 105.19 106.42 1aiq n GLY 204 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1aiq n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aiq s ASP 205 N -1.00 5.78 -0.30 1.61 -1.08 -0.08 -1.96 116.67 119.63 1aiq s ASP 205 Ca 0.00 0.40 -0.07 0.00 -0.52 0.00 0.00 52.55 52.36 1aiq s ASP 205 Cb 0.00 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 1aiq s ASP 205 CO 0.00 -1.97 0.10 -0.89 0.52 0.00 0.00 175.17 172.93 1aiq s THR 206 N 7.28 4.07 0.17 1.71 2.01 -0.16 -1.20 115.64 129.53 1aiq s THR 206 Ca 0.61 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1aiq s THR 206 Cb -0.13 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1aiq s THR 206 CO 0.24 0.06 0.08 -1.38 -0.69 0.00 0.00 174.62 172.93 1aiq s HIS 207 N 1.51 1.08 -0.08 4.92 -3.43 -0.46 -1.30 115.29 117.53 1aiq s HIS 207 Ca 0.03 -1.25 0.04 0.00 -0.80 0.00 0.00 55.06 53.08 1aiq s HIS 207 Cb -0.17 -0.58 -0.00 0.00 -1.43 0.00 0.00 32.58 30.40 1aiq s HIS 207 CO 0.03 -0.51 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.53 1aiq s LEU 208 N -3.13 2.01 0.38 5.38 1.02 -0.62 -0.88 118.68 122.83 1aiq s LEU 208 Ca 0.31 -0.50 -0.24 0.00 0.02 0.00 0.00 54.13 53.72 1aiq s LEU 208 Cb 0.07 -1.29 -0.09 0.00 0.02 0.00 0.00 46.19 44.90 1aiq s LEU 208 CO 0.07 0.16 1.01 -0.31 0.02 0.00 0.00 176.35 177.30 1aiq s TYR 209 N 0.24 3.40 0.32 0.29 2.02 -1.26 -0.77 117.35 121.59 1aiq s TYR 209 Ca -0.14 1.68 0.08 0.00 -0.37 0.00 0.00 57.07 58.32 1aiq s TYR 209 Cb -0.16 -3.04 0.78 0.00 -0.40 0.00 0.00 41.96 39.14 1aiq s TYR 209 CO 0.07 -0.32 1.80 0.77 -1.57 0.00 0.00 175.55 176.29 1aiq h SER 210 N 2.65 0.74 -0.18 2.29 0.02 -1.56 -0.27 113.55 117.23 1aiq h SER 210 Ca -0.48 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 1aiq h SER 210 Cb 1.20 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 1aiq h SER 210 CO 0.63 0.28 0.08 -0.46 -1.14 0.00 0.00 176.83 176.22 1aiq n ASN 211 N -4.70 2.65 0.00 3.07 6.94 -1.26 -3.24 115.26 118.72 1aiq n ASN 211 Ca 0.22 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 1aiq n ASN 211 Cb 0.57 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1aiq n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1aiq n HIS 212 N 0.13 0.00 -0.07 -2.53 8.25 -0.11 -4.74 115.22 116.15 1aiq n HIS 212 Ca 0.10 -0.20 -0.10 0.00 -0.26 0.00 0.00 57.72 57.26 1aiq n HIS 212 Cb 0.63 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 1aiq n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1aiq h MET 213 N 0.00 0.35 0.01 -0.41 2.86 -1.66 -0.83 114.93 115.25 1aiq h MET 213 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1aiq h MET 213 Cb 0.40 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1aiq h MET 213 CO 0.00 0.27 -0.01 -0.44 1.06 0.00 0.00 176.91 177.79 1aiq h ASP 214 N 0.32 -0.01 -0.63 1.22 3.32 -1.87 -1.06 116.42 117.71 1aiq h ASP 214 Ca 0.09 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1aiq h ASP 214 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1aiq h ASP 214 CO -0.02 -0.00 0.36 1.56 -1.72 0.00 0.00 179.24 179.42 1aiq h GLN 215 N -0.03 0.89 -0.14 3.56 7.50 -1.89 -0.71 115.11 124.29 1aiq h GLN 215 Ca -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 1aiq h GLN 215 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 1aiq h GLN 215 CO 0.00 0.65 0.04 1.15 -1.50 0.00 0.00 178.83 179.17 1aiq h THR 216 N 0.90 1.19 -0.82 -0.54 2.02 -0.81 -0.35 112.91 114.50 1aiq h THR 216 Ca 0.23 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1aiq h THR 216 Cb 0.02 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1aiq h THR 216 CO -0.04 0.18 0.44 0.45 0.37 0.00 0.00 175.52 176.92 1aiq h HIS 217 N 0.04 1.14 0.38 3.16 3.86 -0.86 0.56 115.15 123.43 1aiq h HIS 217 Ca 0.05 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1aiq h HIS 217 Cb 0.24 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1aiq h HIS 217 CO 0.00 0.80 -0.26 1.25 0.86 0.00 0.00 177.93 180.58 1aiq h LEU 218 N 1.15 -0.66 -0.68 2.43 5.85 -0.83 -2.86 115.31 119.70 1aiq h LEU 218 Ca 0.29 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.10 1aiq h LEU 218 Cb 0.04 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1aiq h LEU 218 CO -0.04 -0.40 0.40 -0.61 -0.34 0.00 0.00 178.44 177.44 1aiq h GLN 219 N -0.62 0.73 0.00 1.25 4.15 -0.76 -1.63 115.11 118.23 1aiq h GLN 219 Ca -0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1aiq h GLN 219 Cb 0.53 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1aiq h GLN 219 CO 0.02 0.48 0.00 1.25 -1.93 0.00 0.00 178.83 178.65 1aiq h LEU 220 N 0.75 0.00 -1.89 -2.39 5.85 -0.71 -1.26 115.31 115.66 1aiq h LEU 220 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1aiq h LEU 220 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1aiq h LEU 220 CO -0.15 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.41 1aiq n SER 221 N -2.29 2.82 -4.75 1.25 3.41 -0.61 -4.93 113.62 108.52 1aiq n SER 221 Ca -0.01 -1.91 -0.32 0.00 -0.26 0.00 0.00 58.87 56.38 1aiq n SER 221 Cb 0.05 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 1aiq n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1aiq s ARG 222 N -1.57 2.88 -0.09 4.33 0.52 -0.48 -5.10 118.95 119.44 1aiq s ARG 222 Ca 0.36 -0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 54.74 1aiq s ARG 222 Cb 0.21 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1aiq s ARG 222 CO 0.29 0.60 0.58 -1.21 0.02 0.00 0.00 175.30 175.58 1aiq s GLU 223 N -2.00 4.39 0.60 3.54 0.41 -1.26 -4.98 118.70 119.38 1aiq s GLU 223 Ca 0.25 0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 55.29 1aiq s GLU 223 Cb -0.12 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 1aiq s GLU 223 CO 0.17 0.12 1.14 -1.25 -0.49 0.00 0.00 175.26 174.95 1aiq s PRO 224 N 0.69 3.04 0.43 0.39 0.04 -1.26 -4.78 135.00 133.55 1aiq s PRO 224 Ca 0.31 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.02 1aiq s PRO 224 Cb -0.16 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1aiq s PRO 224 CO 0.14 -1.10 0.10 1.03 0.04 0.00 0.00 177.00 177.22 1aiq s ARG 225 N -3.57 2.12 0.34 4.56 0.52 -1.26 -5.05 118.95 116.61 1aiq s ARG 225 Ca 0.72 -2.02 -0.27 0.00 -0.52 0.00 0.00 55.73 53.64 1aiq s ARG 225 Cb -0.25 -1.80 -0.12 0.00 0.52 0.00 0.00 34.95 33.30 1aiq s ARG 225 CO 0.33 -0.14 1.20 -2.30 0.02 0.00 0.00 175.30 174.41 1aiq n PRO 226 N -1.16 1.86 -2.55 3.54 -0.02 -1.26 -4.87 135.00 130.53 1aiq n PRO 226 Ca -0.05 0.65 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1aiq n PRO 226 Cb 0.66 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1aiq n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aiq s LEU 227 N -0.69 3.94 0.00 2.45 1.43 -1.26 -4.78 118.68 119.77 1aiq s LEU 227 Ca 0.57 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 1aiq s LEU 227 Cb -0.59 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.19 1aiq s LEU 227 CO 0.61 -0.68 0.00 -0.81 0.23 0.00 0.00 176.35 175.70 1aiq n PRO 228 N -0.67 -0.85 -4.21 1.29 -0.04 -1.26 -4.70 135.00 124.56 1aiq n PRO 228 Ca 0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1aiq n PRO 228 Cb 0.52 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.83 1aiq n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1aiq s LYS 229 N -2.57 0.54 -0.11 0.54 -0.14 -0.14 -1.91 119.74 115.95 1aiq s LYS 229 Ca 0.00 -0.21 -0.13 0.00 -1.36 0.00 0.00 55.97 54.27 1aiq s LYS 229 Cb 0.00 -0.53 -0.05 0.00 -1.68 0.00 0.00 37.83 35.57 1aiq s LYS 229 CO 0.00 0.11 0.29 -1.17 -0.76 0.00 0.00 175.35 173.82 1aiq s LEU 230 N -0.03 4.34 -0.07 3.17 1.98 -1.26 -0.43 118.68 126.39 1aiq s LEU 230 Ca 0.01 0.63 0.04 0.00 -2.89 0.00 0.00 54.13 51.91 1aiq s LEU 230 Cb -0.04 -2.37 -0.00 0.00 0.66 0.00 0.00 46.19 44.45 1aiq s LEU 230 CO -0.00 0.23 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.86 1aiq s ILE 231 N -0.29 1.67 -0.25 6.68 1.01 0.12 -4.99 121.20 125.15 1aiq s ILE 231 Ca 0.18 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1aiq s ILE 231 Cb -0.14 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1aiq s ILE 231 CO 0.06 0.47 -0.00 -0.63 0.00 0.00 0.00 174.94 174.84 1aiq s ILE 232 N 0.22 3.47 0.06 2.92 1.01 -1.26 -0.18 121.20 127.45 1aiq s ILE 232 Ca -0.11 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 1aiq s ILE 232 Cb -0.15 -2.70 -0.14 0.00 0.01 0.00 0.00 42.46 39.49 1aiq s ILE 232 CO 0.05 0.25 1.32 0.11 0.00 0.00 0.00 174.94 176.67 1aiq h LYS 233 N 8.13 0.55 -5.19 2.79 1.57 -0.38 -3.46 116.57 120.57 1aiq h LYS 233 Ca -0.36 -0.35 -0.39 0.00 -1.87 0.00 0.00 60.65 57.69 1aiq h LYS 233 Cb 1.14 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 1aiq h LYS 233 CO 0.59 0.96 -0.77 -0.98 -0.57 0.00 0.00 179.45 178.68 1aiq s ARG 234 N -4.05 0.76 -0.54 3.15 1.70 -1.26 -5.09 118.95 113.61 1aiq s ARG 234 Ca -0.13 -0.92 -0.18 0.00 -0.47 0.00 0.00 55.73 54.04 1aiq s ARG 234 Cb 0.07 -0.72 0.10 0.00 -0.57 0.00 0.00 34.95 33.82 1aiq s ARG 234 CO 0.81 0.16 0.58 0.21 -1.08 0.00 0.00 175.30 175.98 1aiq s LYS 235 N -1.72 3.03 0.97 3.89 2.20 -1.26 -5.02 119.74 121.84 1aiq s LYS 235 Ca -0.03 -1.37 -0.11 0.00 -0.36 0.00 0.00 55.97 54.09 1aiq s LYS 235 Cb -0.10 -4.23 0.18 0.00 -1.51 0.00 0.00 37.83 32.17 1aiq s LYS 235 CO 0.02 -1.34 1.09 -2.14 -0.36 0.00 0.00 175.35 172.62 1aiq s PRO 236 N 2.19 0.59 0.17 4.03 0.02 -1.26 -4.90 135.00 135.83 1aiq s PRO 236 Ca 0.08 1.08 0.21 0.00 0.02 0.00 0.00 61.00 62.39 1aiq s PRO 236 Cb -0.25 -1.71 0.86 0.00 0.02 0.00 0.00 34.50 33.42 1aiq s PRO 236 CO 0.06 -2.77 1.63 -1.91 -0.33 0.00 0.00 177.00 173.68 1aiq n GLU 237 N -4.28 0.13 -3.49 5.54 2.13 -1.26 -4.82 120.64 114.58 1aiq n GLU 237 Ca 0.07 0.35 -0.10 0.00 0.66 0.00 0.00 57.16 58.14 1aiq n GLU 237 Cb 0.54 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 1aiq n GLU 237 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1aiq s SER 238 N -3.81 -0.44 0.31 4.31 1.04 -1.26 -5.02 113.70 108.83 1aiq s SER 238 Ca 0.05 0.11 0.21 0.00 0.48 0.00 0.00 55.95 56.81 1aiq s SER 238 Cb 0.10 0.44 1.14 0.00 0.10 0.00 0.00 66.02 67.79 1aiq s SER 238 CO 0.36 -0.67 1.66 0.00 0.98 0.00 0.00 173.24 175.56 1aiq n ILE 239 N -0.06 1.04 -0.29 -1.02 0.13 -1.26 -0.15 119.36 117.74 1aiq n ILE 239 Ca -0.12 0.69 0.12 0.00 -1.10 0.00 0.00 62.75 62.34 1aiq n ILE 239 Cb 0.62 -1.68 0.32 0.00 -0.84 0.00 0.00 39.64 38.05 1aiq n ILE 239 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1aiq n PHE 240 N -2.25 0.96 -0.08 9.51 3.72 -1.26 -4.32 117.46 123.74 1aiq n PHE 240 Ca -0.01 -0.48 0.07 0.00 -0.05 0.00 0.00 57.45 56.98 1aiq n PHE 240 Cb 0.05 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.76 1aiq n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1aiq n ASP 241 N 1.62 2.99 -4.83 4.37 8.00 0.79 -5.01 116.55 124.48 1aiq n ASP 241 Ca 0.24 -1.93 -0.30 0.00 0.71 0.00 0.00 54.79 53.51 1aiq n ASP 241 Cb 0.61 -0.24 0.06 0.00 -0.02 0.00 0.00 41.12 41.53 1aiq n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1aiq s TYR 242 N -1.03 3.13 0.05 1.24 1.51 -1.26 -4.84 117.35 116.15 1aiq s TYR 242 Ca 0.27 1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 57.51 1aiq s TYR 242 Cb 0.15 -2.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.01 1aiq s TYR 242 CO 0.19 -1.33 0.11 1.03 -1.11 0.00 0.00 175.55 174.45 1aiq s ARG 243 N -5.16 0.67 0.27 -0.62 0.52 -1.26 -5.05 118.95 108.33 1aiq s ARG 243 Ca 0.59 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1aiq s ARG 243 Cb -0.13 0.26 0.59 0.00 0.52 0.00 0.00 34.95 36.19 1aiq s ARG 243 CO 0.54 -0.18 1.62 0.35 0.02 0.00 0.00 175.30 177.65 1aiq h PHE 244 N 3.32 0.05 0.00 -0.53 3.57 -1.97 0.25 116.94 121.64 1aiq h PHE 244 Ca -0.33 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1aiq h PHE 244 Cb 1.18 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.03 1aiq h PHE 244 CO 0.50 -0.28 0.00 -0.85 -2.23 0.00 0.00 178.31 175.45 1aiq n GLU 245 N -5.35 0.12 0.20 1.11 0.00 -1.26 -2.63 120.64 112.82 1aiq n GLU 245 Ca 0.18 0.57 0.13 0.00 0.00 0.00 0.00 57.16 58.04 1aiq n GLU 245 Cb 0.60 -1.85 0.35 0.00 0.00 0.00 0.00 31.44 30.55 1aiq n GLU 245 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1aiq h ASP 246 N 0.00 0.00 -3.43 -1.84 3.32 -0.88 -3.46 116.42 110.14 1aiq h ASP 246 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1aiq h ASP 246 Cb 0.07 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.46 1aiq h ASP 246 CO 0.00 0.00 -0.65 -0.36 -1.72 0.00 0.00 179.24 176.51 1aiq s PHE 247 N -3.28 3.08 -0.04 4.55 0.40 -1.08 0.39 117.98 122.00 1aiq s PHE 247 Ca 0.06 0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1aiq s PHE 247 Cb 0.08 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1aiq s PHE 247 CO 0.60 0.43 0.03 -2.00 0.70 0.00 0.00 175.22 174.98 1aiq s GLU 248 N -0.99 0.14 -0.08 0.44 2.56 0.75 -4.97 118.70 116.54 1aiq s GLU 248 Ca 0.14 0.21 -0.13 0.00 0.00 0.00 0.00 54.97 55.20 1aiq s GLU 248 Cb -0.11 -0.52 -0.05 0.00 2.00 0.00 0.00 34.13 35.45 1aiq s GLU 248 CO 0.04 -0.24 0.32 -1.50 -0.56 0.00 0.00 175.26 173.32 1aiq s ILE 249 N 1.60 5.22 -0.06 -3.70 1.10 -1.26 0.12 121.20 124.21 1aiq s ILE 249 Ca -0.02 0.62 0.02 0.00 -0.51 0.00 0.00 60.65 60.76 1aiq s ILE 249 Cb -0.13 -3.63 0.02 0.00 0.15 0.00 0.00 42.46 38.87 1aiq s ILE 249 CO -0.03 0.52 -0.09 -0.70 -2.11 0.00 0.00 174.94 172.53 1aiq s GLU 250 N -0.52 1.35 0.00 3.50 2.12 0.43 -4.78 118.70 120.80 1aiq s GLU 250 Ca 0.20 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.25 1aiq s GLU 250 Cb -0.14 -1.20 0.00 0.00 0.26 0.00 0.00 34.13 33.05 1aiq s GLU 250 CO 0.08 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1aiq n GLY 251 N 3.99 0.75 3.51 -1.50 0.00 -1.26 -0.97 105.19 109.71 1aiq n GLY 251 Ca -0.23 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1aiq n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aiq s TYR 252 N -2.00 3.00 -0.58 1.61 5.04 -1.26 -4.30 117.35 118.86 1aiq s TYR 252 Ca 0.00 -0.12 0.04 0.00 -2.44 0.00 0.00 57.07 54.55 1aiq s TYR 252 Cb 0.00 -3.57 0.17 0.00 0.35 0.00 0.00 41.96 38.91 1aiq s TYR 252 CO 0.00 -1.01 0.43 0.34 -1.34 0.00 0.00 175.55 173.97 1aiq s ASP 253 N 2.32 3.49 0.59 4.32 2.15 -1.26 -5.08 116.67 123.20 1aiq s ASP 253 Ca 0.23 -3.51 -0.09 0.00 0.43 0.00 0.00 52.55 49.62 1aiq s ASP 253 Cb -0.15 -1.16 -0.02 0.00 -0.30 0.00 0.00 42.92 41.29 1aiq s ASP 253 CO 0.18 -0.12 0.95 -2.16 -0.17 0.00 0.00 175.17 173.85 1aiq s PRO 254 N -0.81 3.36 0.97 4.34 0.04 -1.26 -4.90 135.00 136.74 1aiq s PRO 254 Ca 0.28 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1aiq s PRO 254 Cb -0.02 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.51 1aiq s PRO 254 CO -0.17 -0.56 1.10 -1.01 0.04 0.00 0.00 177.00 176.40 1aiq s HIS 255 N -3.06 2.22 0.63 0.56 3.76 0.15 -4.81 115.29 114.74 1aiq s HIS 255 Ca 0.53 0.97 -0.18 0.00 -0.15 0.00 0.00 55.06 56.23 1aiq s HIS 255 Cb -0.11 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.28 1aiq s HIS 255 CO 0.50 -2.73 1.25 -2.14 -0.85 0.00 0.00 174.74 170.77 1aiq s PRO 256 N -5.04 2.71 0.81 8.40 0.02 -1.26 -1.58 135.00 139.06 1aiq s PRO 256 Ca 0.65 1.95 -0.13 0.00 0.02 0.00 0.00 61.00 63.49 1aiq s PRO 256 Cb -0.18 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.55 1aiq s PRO 256 CO 0.56 -1.44 1.18 0.20 -0.33 0.00 0.00 177.00 177.17 1aiq s GLY 257 N -1.51 2.05 -0.12 0.52 0.00 -1.26 -3.71 107.32 103.29 1aiq s GLY 257 Ca 0.80 0.74 0.01 0.00 0.00 0.00 0.00 44.72 46.27 1aiq s GLY 257 CO 0.37 1.16 -0.11 -0.42 0.00 0.00 0.00 173.10 174.09 1aiq s ILE 258 N -2.29 1.27 0.06 0.90 1.01 -1.26 -4.86 121.20 116.02 1aiq s ILE 258 Ca 0.71 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1aiq s ILE 258 Cb -0.26 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 1aiq s ILE 258 CO 0.51 0.40 0.77 -0.54 0.00 0.00 0.00 174.94 176.09 1aiq s LYS 259 N 1.38 4.51 -0.05 2.79 -0.14 -1.26 -5.06 119.74 121.91 1aiq s LYS 259 Ca 0.00 1.08 -0.12 0.00 -1.36 0.00 0.00 55.97 55.58 1aiq s LYS 259 Cb -0.13 -3.35 0.02 0.00 -1.68 0.00 0.00 37.83 32.69 1aiq s LYS 259 CO -0.06 0.32 0.28 0.00 -0.76 0.00 0.00 175.35 175.12 1aiq s ALA 260 N -0.18 -0.69 0.40 5.17 0.00 -1.26 -4.95 121.76 120.25 1aiq s ALA 260 Ca 0.38 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1aiq s ALA 260 Cb -0.21 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 1aiq s ALA 260 CO 0.23 -0.21 0.97 -1.25 0.00 0.00 0.00 175.76 175.50 1aiq s PRO 261 N -0.78 4.31 0.06 0.00 0.04 -1.26 -5.05 135.00 132.32 1aiq s PRO 261 Ca -0.09 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 1aiq s PRO 261 Cb -0.04 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 32.01 1aiq s PRO 261 CO 0.02 0.03 0.55 0.08 0.04 0.00 0.00 177.00 177.73 1aiq s VAL 262 N -1.92 4.79 -0.41 -0.36 1.01 -1.26 -5.01 120.40 117.24 1aiq s VAL 262 Ca 0.58 1.18 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 1aiq s VAL 262 Cb -0.14 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1aiq s VAL 262 CO 0.19 0.54 0.66 0.00 0.00 0.00 0.00 175.10 176.49 1aiq s ALA 263 N -1.01 3.38 -1.29 5.51 0.00 -1.26 -5.22 121.76 121.86 1aiq s ALA 263 Ca 0.29 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 51.28 1aiq s ALA 263 Cb -0.19 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.73 1aiq s ALA 263 CO 0.18 -1.66 0.83 -0.89 0.00 0.00 0.00 175.76 174.22