#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oql s GLU 2 N 0.00 4.45 -0.20 -0.72 2.56 -1.25 -4.87 118.70 118.67 1oql s GLU 2 Ca 0.00 1.92 0.01 0.00 0.00 0.00 0.00 54.97 56.91 1oql s GLU 2 Cb 0.00 -3.23 0.03 0.00 2.00 0.00 0.00 34.13 32.93 1oql s GLU 2 CO 0.00 -0.16 -0.16 0.50 -0.56 0.00 0.00 175.26 174.88 1oql s ARG 3 N -0.08 2.67 -0.17 4.30 3.52 -1.26 0.10 118.95 128.04 1oql s ARG 3 Ca 0.55 -0.95 -0.07 0.00 -0.13 0.00 0.00 55.73 55.12 1oql s ARG 3 Cb -0.34 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 1oql s ARG 3 CO 0.36 -0.32 0.08 -0.51 -0.81 0.00 0.00 175.30 174.10 1oql s LEU 4 N 1.26 3.92 -0.06 -0.88 2.01 0.32 -4.96 118.68 120.29 1oql s LEU 4 Ca 0.01 0.15 -0.02 0.00 0.01 0.00 0.00 54.13 54.29 1oql s LEU 4 Cb -0.15 -1.98 -0.03 0.00 0.01 0.00 0.00 46.19 44.03 1oql s LEU 4 CO -0.10 0.22 0.03 -0.13 1.01 0.00 0.00 176.35 177.37 1oql s ARG 5 N 0.10 3.01 -0.08 1.70 0.52 -1.26 -1.02 118.95 121.92 1oql s ARG 5 Ca 0.06 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1oql s ARG 5 Cb -0.12 -2.82 0.05 0.00 0.52 0.00 0.00 34.95 32.58 1oql s ARG 5 CO 0.00 0.69 0.16 -1.17 0.02 0.00 0.00 175.30 175.00 1oql s LEU 6 N -1.13 0.15 -0.17 2.53 2.96 -0.81 -4.96 118.68 117.24 1oql s LEU 6 Ca 0.16 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 54.22 1oql s LEU 6 Cb -0.12 0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.86 1oql s LEU 6 CO 0.05 -0.22 0.50 -0.60 -1.32 0.00 0.00 176.35 174.77 1oql s ARG 7 N 1.96 4.24 -0.45 1.98 3.52 -1.26 -2.69 118.95 126.26 1oql s ARG 7 Ca -0.01 0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.94 1oql s ARG 7 Cb -0.12 -3.52 0.12 0.00 -1.56 0.00 0.00 34.95 29.87 1oql s ARG 7 CO -0.06 -0.03 0.29 0.14 -0.81 0.00 0.00 175.30 174.82 1oql s VAL 8 N 1.26 3.84 0.26 7.11 -7.23 0.35 -4.78 120.40 121.22 1oql s VAL 8 Ca 0.24 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1oql s VAL 8 Cb -0.15 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1oql s VAL 8 CO 0.10 -0.74 0.13 0.42 -0.31 0.00 0.00 175.10 174.70 1oql s THR 9 N 1.27 0.33 -2.00 5.32 -4.23 -1.26 -3.12 115.64 111.95 1oql s THR 9 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 1oql s THR 9 Cb -0.25 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.15 1oql s THR 9 CO -0.02 0.00 0.91 1.41 -0.54 0.00 0.00 174.62 176.38 1oql n HIS 10 N -0.46 0.00 0.25 3.99 8.25 -1.26 -1.57 115.22 124.43 1oql n HIS 10 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 1oql n HIS 10 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1oql n HIS 10 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1oql n GLN 11 N -0.59 2.03 -1.90 -0.41 3.00 -1.26 -5.00 117.38 113.26 1oql n GLN 11 Ca 0.03 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 56.09 1oql n GLN 11 Cb 0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 30.24 29.26 1oql n GLN 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1oql s THR 12 N -0.90 2.50 0.56 5.09 2.01 -0.61 -4.98 115.64 119.30 1oql s THR 12 Ca 0.05 0.36 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 1oql s THR 12 Cb 0.05 -3.23 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1oql s THR 12 CO 0.13 0.03 0.81 0.42 -0.69 0.00 0.00 174.62 175.32 1oql s THR 13 N 1.04 3.15 0.15 -0.82 -4.23 -1.26 -4.85 115.64 108.82 1oql s THR 13 Ca 0.70 -0.43 -0.16 0.00 -1.18 0.00 0.00 61.69 60.62 1oql s THR 13 Cb -0.45 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.19 1oql s THR 13 CO 0.33 -0.18 1.80 1.23 -0.54 0.00 0.00 174.62 177.26 1oql h GLY 14 N 0.00 0.60 0.70 3.99 0.00 -1.85 -2.28 103.07 104.23 1oql h GLY 14 Ca -0.44 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1oql h GLY 14 CO 0.57 0.23 -0.11 -1.80 0.00 0.00 0.00 176.54 175.43 1oql h ASP 15 N 0.57 -0.31 -0.98 0.19 3.58 -1.94 -1.44 116.42 116.08 1oql h ASP 15 Ca 0.15 0.05 0.15 0.00 0.42 0.00 0.00 57.03 57.81 1oql h ASP 15 Cb -0.04 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 41.05 1oql h ASP 15 CO -0.03 -0.15 0.60 -0.33 -2.88 0.00 0.00 179.24 176.45 1oql h GLU 16 N -0.17 0.82 -0.04 0.28 5.08 -1.86 0.28 114.58 118.98 1oql h GLU 16 Ca 0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1oql h GLU 16 Cb 0.23 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1oql h GLU 16 CO -0.13 0.54 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.50 1oql h TYR 17 N 0.85 0.09 -0.41 4.33 3.20 -0.98 -2.59 116.97 121.46 1oql h TYR 17 Ca 0.53 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.43 1oql h TYR 17 Cb 0.69 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1oql h TYR 17 CO -0.02 0.42 0.16 0.35 -1.64 0.00 0.00 178.16 177.43 1oql h PHE 18 N -0.27 0.29 -0.46 -3.82 3.57 -0.12 -1.03 116.94 115.11 1oql h PHE 18 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1oql h PHE 18 Cb 0.39 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1oql h PHE 18 CO 0.05 0.13 0.24 0.00 -2.23 0.00 0.00 178.31 176.49 1oql h ARG 19 N 0.34 0.63 -0.51 1.11 3.08 -0.51 -0.80 114.38 117.72 1oql h ARG 19 Ca 0.18 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1oql h ARG 19 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1oql h ARG 19 CO -0.17 0.48 -0.14 0.35 -1.07 0.00 0.00 179.97 179.41 1oql h PHE 20 N 0.64 1.13 -0.13 3.04 3.57 -0.88 -1.31 116.94 123.00 1oql h PHE 20 Ca 0.16 -0.25 -0.13 0.00 3.53 0.00 0.00 57.97 61.29 1oql h PHE 20 Cb 0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1oql h PHE 20 CO 0.00 1.07 -0.42 0.82 -2.23 0.00 0.00 178.31 177.56 1oql h ILE 21 N 0.87 1.36 -0.48 1.41 1.08 -0.58 -2.73 117.51 118.44 1oql h ILE 21 Ca 0.13 -1.72 -0.05 0.00 -0.39 0.00 0.00 64.86 62.83 1oql h ILE 21 Cb 0.72 2.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 1oql h ILE 21 CO 0.05 0.52 0.11 0.71 -0.69 0.00 0.00 178.15 178.85 1oql h THR 22 N 0.12 1.21 -0.73 -0.27 1.35 -1.18 0.81 112.91 114.22 1oql h THR 22 Ca -0.02 -0.76 0.04 0.00 -0.55 0.00 0.00 66.41 65.12 1oql h THR 22 Cb 1.04 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.15 1oql h THR 22 CO 0.09 0.28 0.45 0.25 -0.25 0.00 0.00 175.52 176.34 1oql h LEU 23 N 0.70 0.73 -0.68 3.87 5.85 -1.17 0.25 115.31 124.86 1oql h LEU 23 Ca 0.16 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1oql h LEU 23 Cb 0.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1oql h LEU 23 CO -0.00 0.49 -0.32 0.25 -0.34 0.00 0.00 178.44 178.52 1oql h LEU 24 N 0.87 0.69 -0.25 2.25 5.85 -1.00 -0.27 115.31 123.45 1oql h LEU 24 Ca 0.30 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1oql h LEU 24 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1oql h LEU 24 CO -0.13 0.96 0.15 -0.09 -0.34 0.00 0.00 178.44 178.99 1oql h ARG 25 N 0.57 0.34 0.53 1.25 2.43 0.34 0.33 114.38 120.17 1oql h ARG 25 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1oql h ARG 25 Cb 0.82 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1oql h ARG 25 CO 0.07 0.29 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.09 1oql h ASP 26 N 0.30 -0.72 -0.50 -3.80 3.32 -0.30 -1.57 116.42 113.15 1oql h ASP 26 Ca 0.09 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.27 1oql h ASP 26 Cb 0.04 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 1oql h ASP 26 CO -0.02 -0.47 -0.07 0.22 -1.72 0.00 0.00 179.24 177.19 1oql h TYR 27 N -0.76 -0.16 0.00 4.55 3.20 -1.03 -1.90 116.97 120.88 1oql h TYR 27 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1oql h TYR 27 Cb 0.60 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1oql h TYR 27 CO 0.03 -0.17 0.00 1.55 -1.64 0.00 0.00 178.16 177.93 1oql n VAL 28 N -5.31 0.93 -3.67 1.81 3.14 0.10 -4.73 118.33 110.61 1oql n VAL 28 Ca 0.05 0.28 -0.36 0.00 -2.96 0.00 0.00 64.34 61.36 1oql n VAL 28 Cb 0.27 -1.17 -0.08 0.00 -1.06 0.00 0.00 33.84 31.80 1oql n VAL 28 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1oql s SER 29 N -3.86 6.24 1.08 6.55 1.04 -0.60 -4.28 113.70 119.86 1oql s SER 29 Ca 0.04 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 1oql s SER 29 Cb 0.09 -2.12 0.23 0.00 0.10 0.00 0.00 66.02 64.32 1oql s SER 29 CO 0.33 0.13 1.09 -0.94 0.98 0.00 0.00 173.24 174.83 1oql s SER 30 N 0.54 1.96 0.00 7.02 1.04 -1.07 -4.90 113.70 118.29 1oql s SER 30 Ca 0.10 1.06 0.22 0.00 0.48 0.00 0.00 55.95 57.81 1oql s SER 30 Cb -0.12 -1.64 1.33 0.00 0.10 0.00 0.00 66.02 65.69 1oql s SER 30 CO 0.01 -3.53 1.71 0.61 0.98 0.00 0.00 173.24 173.02 1oql n GLY 31 N -0.85 -0.73 3.91 7.32 0.00 -1.26 -4.66 105.19 108.92 1oql n GLY 31 Ca 0.07 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1oql n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oql s SER 32 N -1.97 5.98 0.15 1.61 0.01 -1.26 -5.02 113.70 113.20 1oql s SER 32 Ca 0.33 0.79 -0.06 0.00 1.31 0.00 0.00 55.95 58.32 1oql s SER 32 Cb 0.15 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 1oql s SER 32 CO 0.26 -0.76 0.20 -0.36 0.41 0.00 0.00 173.24 172.99 1oql s PHE 33 N -2.81 0.58 -0.11 2.43 0.40 -1.26 -2.17 117.98 115.04 1oql s PHE 33 Ca 0.50 -0.95 -0.03 0.00 -0.60 0.00 0.00 56.93 55.85 1oql s PHE 33 Cb -0.10 -0.22 0.05 0.00 0.51 0.00 0.00 43.02 43.26 1oql s PHE 33 CO 0.44 -0.65 0.15 0.45 0.70 0.00 0.00 175.22 176.31 1oql s SER 34 N -3.00 1.10 -1.34 1.36 0.15 -0.59 -4.84 113.70 106.54 1oql s SER 34 Ca 0.20 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.89 1oql s SER 34 Cb 0.05 0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1oql s SER 34 CO 0.01 -0.27 0.42 0.59 1.20 0.00 0.00 173.24 175.19 1oql n ASN 35 N 5.32 -4.51 0.00 5.45 3.02 -1.26 -1.51 115.26 121.76 1oql n ASN 35 Ca -0.05 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1oql n ASN 35 Cb 0.50 -3.72 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1oql n ASN 35 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1oql n GLU 36 N -3.62 0.00 -4.13 3.52 -0.58 -1.26 -5.06 120.64 109.51 1oql n GLU 36 Ca -0.07 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.32 1oql n GLU 36 Cb 0.58 -1.08 -0.10 0.00 -0.57 0.00 0.00 31.44 30.27 1oql n GLU 36 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1oql s ILE 37 N -2.80 4.53 0.54 -3.67 1.01 -0.57 -5.06 121.20 115.17 1oql s ILE 37 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 1oql s ILE 37 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 1oql s ILE 37 CO 0.00 0.47 0.64 -2.65 0.00 0.00 0.00 174.94 173.40 1oql n PRO 38 N 3.49 0.66 -4.76 2.79 -0.02 -1.26 -1.55 135.00 134.34 1oql n PRO 38 Ca -0.17 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 1oql n PRO 38 Cb 0.52 -1.77 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1oql n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oql s LEU 39 N 0.38 2.36 0.59 2.45 1.02 -0.92 -0.48 118.68 124.09 1oql s LEU 39 Ca 0.68 -0.54 -0.08 0.00 0.02 0.00 0.00 54.13 54.21 1oql s LEU 39 Cb -0.48 -1.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 1oql s LEU 39 CO 0.54 0.25 0.95 -0.76 0.02 0.00 0.00 176.35 177.35 1oql s LEU 40 N -1.39 3.27 0.80 1.79 1.43 -0.16 -2.60 118.68 121.82 1oql s LEU 40 Ca 0.13 1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 54.17 1oql s LEU 40 Cb -0.10 -3.99 0.08 0.00 0.03 0.00 0.00 46.19 42.21 1oql s LEU 40 CO 0.04 -0.93 1.17 -0.13 0.23 0.00 0.00 176.35 176.72 1oql s ARG 41 N -5.05 1.76 0.56 1.70 0.52 -1.25 -4.41 118.95 112.78 1oql s ARG 41 Ca 0.53 1.59 -0.19 0.00 -0.52 0.00 0.00 55.73 57.14 1oql s ARG 41 Cb -0.11 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 1oql s ARG 41 CO 0.49 -2.08 1.14 -0.65 0.02 0.00 0.00 175.30 174.21 1oql s GLN 42 N -4.33 3.25 0.22 3.54 -0.21 -1.26 -4.61 119.66 116.26 1oql s GLN 42 Ca 0.69 1.61 0.17 0.00 0.02 0.00 0.00 55.36 57.86 1oql s GLN 42 Cb -0.25 -1.99 0.86 0.00 1.00 0.00 0.00 33.01 32.63 1oql s GLN 42 CO 0.51 -0.93 1.52 -1.13 -2.12 0.00 0.00 175.29 173.14 1oql n SER 43 N -1.45 0.43 0.24 5.90 3.41 -1.26 -2.35 113.62 118.53 1oql n SER 43 Ca 0.12 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 1oql n SER 43 Cb 0.51 -0.74 0.58 0.00 -0.26 0.00 0.00 64.21 64.30 1oql n SER 43 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1oql h THR 44 N 0.00 0.52 -1.66 6.66 1.35 -2.00 -3.45 112.91 114.34 1oql h THR 44 Ca 0.00 -0.86 -0.68 0.00 -0.55 0.00 0.00 66.41 64.32 1oql h THR 44 Cb 0.08 1.59 0.06 0.00 -1.73 0.00 0.00 68.15 68.14 1oql h THR 44 CO 0.00 0.17 0.43 -0.38 -0.25 0.00 0.00 175.52 175.49 1oql n ILE 45 N -3.46 0.04 -2.11 6.82 5.41 -0.99 -4.90 119.36 120.17 1oql n ILE 45 Ca -0.01 -0.01 -0.35 0.00 1.00 0.00 0.00 62.75 63.38 1oql n ILE 45 Cb 0.35 -0.78 0.02 0.00 -0.71 0.00 0.00 39.64 38.51 1oql n ILE 45 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1oql s PRO 46 N 0.42 3.16 0.60 0.38 0.02 -1.26 -4.91 135.00 133.40 1oql s PRO 46 Ca 0.84 1.64 0.36 0.00 0.02 0.00 0.00 61.00 63.86 1oql s PRO 46 Cb -0.96 -1.98 1.87 0.00 0.02 0.00 0.00 34.50 33.45 1oql s PRO 46 CO 0.47 -1.01 2.19 0.28 -0.33 0.00 0.00 177.00 178.61 1oql h VAL 47 N 0.94 0.20 -0.25 3.83 2.07 -1.90 -2.85 116.25 118.28 1oql h VAL 47 Ca -0.50 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1oql h VAL 47 Cb 1.27 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1oql h VAL 47 CO 0.56 0.03 -0.30 0.28 0.02 0.00 0.00 177.57 178.16 1oql h SER 48 N 0.00 0.70 -0.47 0.57 0.02 -1.92 -3.47 113.55 108.98 1oql h SER 48 Ca -0.00 -0.49 -0.36 0.00 -0.84 0.00 0.00 61.79 60.10 1oql h SER 48 Cb 0.21 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.58 1oql h SER 48 CO 0.00 1.05 -0.06 -0.67 -1.14 0.00 0.00 176.83 176.02 1oql n ASP 49 N -4.29 -0.18 -0.09 3.07 -0.08 -1.08 -4.79 116.55 109.11 1oql n ASP 49 Ca -0.05 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.78 1oql n ASP 49 Cb 0.48 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1oql n ASP 49 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oql n ALA 50 N 0.49 2.45 -2.18 -1.67 0.00 -1.26 -2.95 120.51 115.39 1oql n ALA 50 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1oql n ALA 50 Cb 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.52 1oql n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1oql n GLN 51 N -0.40 0.00 0.11 0.00 6.02 -1.26 -4.28 117.38 117.56 1oql n GLN 51 Ca 0.00 -1.31 -0.02 0.00 -0.01 0.00 0.00 57.00 55.66 1oql n GLN 51 Cb 0.04 -0.26 0.03 0.00 1.02 0.00 0.00 30.24 31.07 1oql n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1oql h ARG 52 N 0.36 0.00 -6.09 -1.09 9.65 -1.85 -3.46 114.38 111.90 1oql h ARG 52 Ca -0.10 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.19 1oql h ARG 52 Cb 1.56 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.88 1oql h ARG 52 CO 0.03 0.72 -0.84 -0.06 2.80 0.00 0.00 179.97 182.62 1oql s PHE 53 N -3.04 1.83 0.00 2.20 0.08 -1.26 -1.75 117.98 116.03 1oql s PHE 53 Ca 0.01 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.77 1oql s PHE 53 Cb 0.10 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1oql s PHE 53 CO 0.77 0.08 -0.24 0.54 -0.10 0.00 0.00 175.22 176.27 1oql s VAL 54 N -0.78 2.25 -0.17 -0.44 0.11 -0.82 -3.91 120.40 116.64 1oql s VAL 54 Ca 0.08 -1.17 -0.01 0.00 -2.93 0.00 0.00 61.98 57.94 1oql s VAL 54 Cb -0.09 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.92 1oql s VAL 54 CO 0.02 0.49 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.40 1oql s LEU 55 N -0.91 2.67 -0.20 2.54 1.02 0.28 -1.26 118.68 122.81 1oql s LEU 55 Ca 0.11 -0.41 -0.06 0.00 0.02 0.00 0.00 54.13 53.79 1oql s LEU 55 Cb -0.10 -1.63 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 1oql s LEU 55 CO 0.01 0.07 0.02 0.68 0.02 0.00 0.00 176.35 177.15 1oql s VAL 56 N 0.93 4.19 -0.21 -1.59 -7.23 -0.19 0.12 120.40 116.41 1oql s VAL 56 Ca -0.02 -0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1oql s VAL 56 Cb -0.15 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1oql s VAL 56 CO -0.01 0.42 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.41 1oql s GLU 57 N 0.95 3.16 -0.16 4.82 2.12 -0.19 0.24 118.70 129.64 1oql s GLU 57 Ca 0.02 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.54 1oql s GLU 57 Cb -0.14 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1oql s GLU 57 CO 0.02 -0.24 0.04 -0.51 -0.54 0.00 0.00 175.26 174.03 1oql s LEU 58 N 1.39 3.72 -0.07 2.70 1.02 -0.17 -1.92 118.68 125.36 1oql s LEU 58 Ca 0.05 0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.30 1oql s LEU 58 Cb -0.14 -1.92 0.02 0.00 0.02 0.00 0.00 46.19 44.17 1oql s LEU 58 CO -0.07 0.23 -0.10 -0.89 0.02 0.00 0.00 176.35 175.55 1oql s THR 59 N 0.04 0.97 0.81 5.49 2.01 -1.09 -1.52 115.64 122.35 1oql s THR 59 Ca 0.04 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 1oql s THR 59 Cb -0.12 -0.92 0.17 0.00 0.01 0.00 0.00 72.50 71.63 1oql s THR 59 CO 0.01 0.33 1.11 -0.46 -0.69 0.00 0.00 174.62 174.92 1oql n ASN 60 N 4.05 0.97 0.05 3.53 2.04 -0.45 -0.49 115.26 124.96 1oql n ASN 60 Ca -0.22 -1.94 0.05 0.00 -0.44 0.00 0.00 54.58 52.03 1oql n ASN 60 Cb 0.51 -0.77 0.46 0.00 -2.53 0.00 0.00 39.78 37.45 1oql n ASN 60 CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1oql h GLN 61 N 0.00 0.44 0.00 -3.83 3.07 -1.89 -2.22 115.11 110.68 1oql h GLN 61 Ca -0.36 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1oql h GLN 61 Cb 1.22 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1oql h GLN 61 CO 0.34 0.30 0.00 0.41 0.09 0.00 0.00 178.83 179.97 1oql n GLY 62 N -1.46 -1.00 1.63 0.06 0.00 -1.26 -4.90 105.19 98.26 1oql n GLY 62 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1oql n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oql n GLY 63 N 0.88 1.91 3.77 -0.02 0.00 -0.83 -5.03 105.19 105.88 1oql n GLY 63 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1oql n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oql s ASP 64 N -2.55 6.58 0.00 1.61 1.01 -1.26 -4.76 116.67 117.30 1oql s ASP 64 Ca 0.00 2.85 0.01 0.00 0.71 0.00 0.00 52.55 56.12 1oql s ASP 64 Cb 0.00 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1oql s ASP 64 CO 0.00 -0.69 -0.04 -0.44 0.21 0.00 0.00 175.17 174.21 1oql s SER 65 N -0.31 0.48 0.04 0.27 0.01 -1.26 -1.33 113.70 111.60 1oql s SER 65 Ca 0.51 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1oql s SER 65 Cb -0.43 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 1oql s SER 65 CO 0.57 0.01 -0.05 0.27 0.41 0.00 0.00 173.24 174.45 1oql s ILE 66 N -0.27 0.34 -0.11 1.44 -4.36 -0.58 -4.46 121.20 113.21 1oql s ILE 66 Ca -0.00 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1oql s ILE 66 Cb -0.03 -0.85 0.02 0.00 1.25 0.00 0.00 42.46 42.86 1oql s ILE 66 CO -0.00 -0.63 -0.12 -0.89 0.24 0.00 0.00 174.94 173.54 1oql s THR 67 N -2.30 1.28 -0.13 8.37 2.01 -0.42 -1.00 115.64 123.44 1oql s THR 67 Ca -0.05 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 1oql s THR 67 Cb -0.04 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1oql s THR 67 CO -0.03 0.40 0.16 0.00 -0.69 0.00 0.00 174.62 174.47 1oql s ALA 68 N 1.33 3.82 -0.30 7.40 0.00 0.14 -0.15 121.76 134.01 1oql s ALA 68 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1oql s ALA 68 Cb -0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1oql s ALA 68 CO -0.06 0.51 0.13 0.00 0.00 0.00 0.00 175.76 176.35 1oql s ALA 69 N -0.72 3.26 -0.12 0.00 0.00 0.75 -1.02 121.76 123.90 1oql s ALA 69 Ca 0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 1oql s ALA 69 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1oql s ALA 69 CO 0.04 -0.80 0.13 0.42 0.00 0.00 0.00 175.76 175.54 1oql s ILE 70 N 1.61 5.40 -0.34 0.00 -1.09 -0.39 -1.02 121.20 125.37 1oql s ILE 70 Ca 0.05 0.17 -0.25 0.00 -2.23 0.00 0.00 60.65 58.39 1oql s ILE 70 Cb -0.17 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1oql s ILE 70 CO 0.06 0.60 0.87 -0.62 -1.23 0.00 0.00 174.94 174.62 1oql s ASP 71 N -0.89 6.68 0.00 3.58 -1.08 -0.42 -1.95 116.67 122.58 1oql s ASP 71 Ca 0.14 0.62 0.11 0.00 -0.52 0.00 0.00 52.55 52.90 1oql s ASP 71 Cb -0.12 -2.44 0.66 0.00 -1.46 0.00 0.00 42.92 39.56 1oql s ASP 71 CO 0.03 -0.75 1.10 1.33 0.52 0.00 0.00 175.17 177.40 1oql n VAL 72 N 5.78 0.02 -0.01 1.11 0.24 -0.72 0.24 118.33 124.99 1oql n VAL 72 Ca 0.06 0.01 0.06 0.00 -2.04 0.00 0.00 64.34 62.43 1oql n VAL 72 Cb 0.48 -0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 31.88 1oql n VAL 72 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1oql n THR 73 N -1.01 0.45 -0.75 3.34 -2.24 -1.26 -3.86 114.28 108.95 1oql n THR 73 Ca 0.08 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1oql n THR 73 Cb 0.04 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1oql n THR 73 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1oql n ASN 74 N -2.47 0.05 -2.04 3.42 6.94 -1.06 -4.56 115.26 115.54 1oql n ASN 74 Ca -0.09 -0.81 -0.17 0.00 -0.02 0.00 0.00 54.58 53.49 1oql n ASN 74 Cb 0.70 0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1oql n ASN 74 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1oql n LEU 75 N -0.01 -1.91 -4.88 -4.53 4.77 0.14 -5.01 117.00 105.55 1oql n LEU 75 Ca 0.00 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 1oql n LEU 75 Cb 0.19 -2.49 -0.05 0.00 -2.33 0.00 0.00 43.42 38.74 1oql n LEU 75 CO 0.00 -0.10 0.18 -0.31 -1.33 0.00 0.00 177.39 175.83 1oql s TYR 76 N -2.89 3.44 -0.23 -1.77 1.51 -1.24 -4.78 117.35 111.40 1oql s TYR 76 Ca 0.05 0.77 -0.24 0.00 -1.01 0.00 0.00 57.07 56.64 1oql s TYR 76 Cb -0.02 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1oql s TYR 76 CO 0.06 0.28 0.79 0.08 -1.11 0.00 0.00 175.55 175.65 1oql s VAL 77 N -1.85 4.87 -0.04 0.71 1.01 -1.26 -1.31 120.40 122.54 1oql s VAL 77 Ca 0.46 1.51 0.21 0.00 0.00 0.00 0.00 61.98 64.15 1oql s VAL 77 Cb -0.11 -4.09 -0.33 0.00 0.00 0.00 0.00 36.38 31.85 1oql s VAL 77 CO 0.24 -0.03 0.45 1.33 0.00 0.00 0.00 175.10 177.08 1oql n VAL 78 N 5.12 0.07 -3.61 2.92 0.24 -0.19 -4.77 118.33 118.11 1oql n VAL 78 Ca 0.04 -0.51 -0.02 0.00 -2.04 0.00 0.00 64.34 61.82 1oql n VAL 78 Cb 0.48 -0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.82 1oql n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oql s ALA 79 N -3.43 -2.19 0.02 2.33 0.00 -1.24 -1.26 121.76 115.99 1oql s ALA 79 Ca -0.08 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 1oql s ALA 79 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1oql s ALA 79 CO 0.88 -0.72 0.01 1.52 0.00 0.00 0.00 175.76 177.45 1oql s TYR 80 N -2.27 0.21 -0.08 0.00 1.13 -0.85 -0.18 117.35 115.31 1oql s TYR 80 Ca 0.12 -0.44 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1oql s TYR 80 Cb 0.01 -0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 40.69 1oql s TYR 80 CO -0.04 -0.22 -0.14 -1.14 -2.51 0.00 0.00 175.55 171.50 1oql s GLN 81 N -1.52 2.83 -0.17 -3.49 -0.44 0.79 -1.11 119.66 116.53 1oql s GLN 81 Ca -0.15 -0.69 -0.04 0.00 -2.50 0.00 0.00 55.36 51.98 1oql s GLN 81 Cb -0.09 -2.47 0.06 0.00 -1.64 0.00 0.00 33.01 28.87 1oql s GLN 81 CO -0.01 0.47 0.07 0.00 0.50 0.00 0.00 175.29 176.32 1oql s ALA 82 N -0.34 0.66 0.00 1.58 0.00 -0.34 -1.31 121.76 122.01 1oql s ALA 82 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1oql s ALA 82 Cb -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1oql s ALA 82 CO 0.02 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1oql n GLY 83 N 5.18 2.73 1.14 0.00 0.00 -1.26 -1.79 105.19 111.19 1oql n GLY 83 Ca -0.08 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1oql n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oql n ASP 84 N 7.03 3.75 -4.86 1.61 5.75 -1.26 -4.95 116.55 123.63 1oql n ASP 84 Ca 0.00 -2.12 -0.26 0.00 -0.01 0.00 0.00 54.79 52.40 1oql n ASP 84 Cb 0.00 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.62 1oql n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1oql s GLN 85 N -1.21 3.12 -0.01 0.11 -1.52 -0.74 -1.26 119.66 118.14 1oql s GLN 85 Ca 0.41 -0.75 -0.01 0.00 -1.95 0.00 0.00 55.36 53.06 1oql s GLN 85 Cb 0.23 -2.78 0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1oql s GLN 85 CO 0.25 0.50 0.02 0.45 -0.25 0.00 0.00 175.29 176.27 1oql s SER 86 N -3.12 -0.01 -0.10 5.90 0.15 -0.95 -1.20 113.70 114.37 1oql s SER 86 Ca 0.32 0.05 0.01 0.00 0.70 0.00 0.00 55.95 57.03 1oql s SER 86 Cb -0.11 0.02 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1oql s SER 86 CO 0.25 -0.03 -0.13 -0.31 1.20 0.00 0.00 173.24 174.22 1oql s TYR 87 N 0.25 1.81 -0.15 3.44 1.51 -0.27 -1.54 117.35 122.40 1oql s TYR 87 Ca -0.02 -0.84 -0.04 0.00 -1.01 0.00 0.00 57.07 55.16 1oql s TYR 87 Cb -0.03 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1oql s TYR 87 CO -0.01 -0.46 -0.03 -0.06 -1.11 0.00 0.00 175.55 173.88 1oql s PHE 88 N 1.07 3.04 0.47 2.71 0.08 1.00 -2.01 117.98 124.34 1oql s PHE 88 Ca -0.06 -0.25 -0.21 0.00 0.12 0.00 0.00 56.93 56.54 1oql s PHE 88 Cb -0.15 -1.94 -0.08 0.00 -0.57 0.00 0.00 43.02 40.28 1oql s PHE 88 CO -0.02 0.01 1.08 -0.51 -0.10 0.00 0.00 175.22 175.68 1oql s LEU 89 N 0.25 3.92 0.85 -0.37 1.02 -0.39 -1.17 118.68 122.79 1oql s LEU 89 Ca -0.02 2.06 -0.12 0.00 0.02 0.00 0.00 54.13 56.06 1oql s LEU 89 Cb -0.14 -4.43 0.10 0.00 0.02 0.00 0.00 46.19 41.74 1oql s LEU 89 CO 0.03 -0.82 1.15 -1.14 0.02 0.00 0.00 176.35 175.58 1oql n ARG 90 N -0.75 -0.03 -3.68 1.70 0.63 -0.82 -2.80 116.66 110.91 1oql n ARG 90 Ca 0.08 0.07 -0.22 0.00 -0.92 0.00 0.00 57.85 56.86 1oql n ARG 90 Cb 0.51 -2.39 0.05 0.00 0.45 0.00 0.00 32.46 31.07 1oql n ARG 90 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1oql n ASP 91 N -3.45 -2.44 -4.94 6.15 8.00 -1.26 -4.29 116.55 114.32 1oql n ASP 91 Ca 0.13 -0.75 -0.24 0.00 0.71 0.00 0.00 54.79 54.63 1oql n ASP 91 Cb 0.51 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 1oql n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oql s ALA 92 N -3.51 3.63 0.35 2.24 0.00 -1.12 -4.87 121.76 118.46 1oql s ALA 92 Ca 0.17 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 1oql s ALA 92 Cb -0.08 -2.26 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 1oql s ALA 92 CO 0.79 -0.28 1.53 -2.14 0.00 0.00 0.00 175.76 175.66 1oql s PRO 93 N -4.54 4.11 0.16 0.00 0.02 -1.26 -4.87 135.00 128.62 1oql s PRO 93 Ca 0.46 2.58 -0.33 0.00 0.02 0.00 0.00 61.00 63.72 1oql s PRO 93 Cb -0.10 -2.99 -0.13 0.00 0.02 0.00 0.00 34.50 31.31 1oql s PRO 93 CO 0.39 -0.57 1.69 0.54 -0.33 0.00 0.00 177.00 178.73 1oql n ARG 94 N 1.10 2.50 -0.80 5.54 3.00 -1.26 -1.15 116.66 125.58 1oql n ARG 94 Ca 0.04 0.90 0.00 0.00 -0.01 0.00 0.00 57.85 58.78 1oql n ARG 94 Cb 0.39 -2.73 0.00 0.00 0.00 0.00 0.00 32.46 30.12 1oql n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oql n GLY 95 N 3.82 0.52 0.13 -0.13 0.00 -1.26 -4.91 105.19 103.37 1oql n GLY 95 Ca 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1oql n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oql h ALA 96 N 0.00 0.39 0.00 4.61 0.00 -1.49 -3.25 119.26 119.52 1oql h ALA 96 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1oql h ALA 96 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1oql h ALA 96 CO 0.00 0.90 0.00 -1.91 0.00 0.00 0.00 179.25 178.24 1oql n GLU 97 N -3.66 0.12 -0.10 0.00 2.13 -1.26 -2.03 120.64 115.84 1oql n GLU 97 Ca -0.05 0.20 -0.16 0.00 0.66 0.00 0.00 57.16 57.81 1oql n GLU 97 Cb 0.86 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.93 1oql n GLU 97 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1oql n THR 98 N -1.28 1.50 0.25 6.31 -1.04 -1.23 -4.55 114.28 114.24 1oql n THR 98 Ca 0.04 -0.66 0.11 0.00 -2.04 0.00 0.00 64.05 61.50 1oql n THR 98 Cb 0.07 -1.19 -0.04 0.00 -1.82 0.00 0.00 70.33 67.34 1oql n THR 98 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1oql n HIS 99 N -3.14 0.42 -3.54 -1.42 8.25 -1.12 -4.90 115.22 109.77 1oql n HIS 99 Ca -0.40 0.12 -0.37 0.00 -0.26 0.00 0.00 57.72 56.81 1oql n HIS 99 Cb 1.04 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 31.44 1oql n HIS 99 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oql s LEU 100 N -4.57 4.15 -0.73 2.41 1.02 -0.86 -4.66 118.68 115.43 1oql s LEU 100 Ca -0.01 0.32 -0.03 0.00 0.02 0.00 0.00 54.13 54.43 1oql s LEU 100 Cb 0.13 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1oql s LEU 100 CO 0.83 0.01 0.66 0.49 0.02 0.00 0.00 176.35 178.36 1oql n PHE 101 N 4.28 -2.69 -2.96 0.29 0.99 -1.26 -4.87 117.46 111.24 1oql n PHE 101 Ca -0.12 1.06 -0.38 0.00 -0.00 0.00 0.00 57.45 58.00 1oql n PHE 101 Cb 0.52 -3.54 -0.06 0.00 -1.00 0.00 0.00 39.48 35.39 1oql n PHE 101 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1oql s THR 102 N -2.89 4.36 0.00 4.37 -4.23 -1.26 -3.87 115.64 112.13 1oql s THR 102 Ca 0.04 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.20 1oql s THR 102 Cb -0.01 -4.07 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1oql s THR 102 CO 0.81 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.88 1oql n GLY 103 N 1.21 0.94 3.24 3.99 0.00 -1.26 -5.07 105.19 108.23 1oql n GLY 103 Ca -0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 1oql n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oql s THR 104 N -2.00 1.12 -0.61 2.61 -4.23 -1.25 -4.99 115.64 106.29 1oql s THR 104 Ca 0.00 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.22 1oql s THR 104 Cb 0.00 -1.82 0.05 0.00 1.34 0.00 0.00 72.50 72.06 1oql s THR 104 CO 0.00 -0.76 1.03 -0.89 -0.54 0.00 0.00 174.62 173.46 1oql s THR 105 N -3.34 4.22 0.64 3.99 2.01 -0.39 -4.86 115.64 117.92 1oql s THR 105 Ca 0.16 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 1oql s THR 105 Cb 0.03 -4.66 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 1oql s THR 105 CO -0.00 -1.34 1.24 -0.13 -0.69 0.00 0.00 174.62 173.70 1oql s ARG 106 N 4.38 2.64 -0.12 4.92 1.81 -1.26 -2.24 118.95 129.08 1oql s ARG 106 Ca 0.31 1.91 -0.23 0.00 -1.72 0.00 0.00 55.73 56.00 1oql s ARG 106 Cb -0.12 -1.88 0.06 0.00 -0.45 0.00 0.00 34.95 32.56 1oql s ARG 106 CO 0.17 -1.49 0.57 -1.12 -0.68 0.00 0.00 175.30 172.76 1oql s SER 107 N -1.59 -0.55 -0.27 0.23 0.01 -0.59 -4.89 113.70 106.05 1oql s SER 107 Ca 0.79 0.81 -0.07 0.00 1.31 0.00 0.00 55.95 58.79 1oql s SER 107 Cb -0.33 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1oql s SER 107 CO 0.38 -0.40 0.06 -0.44 0.41 0.00 0.00 173.24 173.25 1oql s SER 108 N -0.56 5.03 0.55 2.44 0.01 -1.26 -0.00 113.70 119.91 1oql s SER 108 Ca -0.07 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.55 1oql s SER 108 Cb -0.03 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 1oql s SER 108 CO 0.05 -0.10 1.15 -0.76 0.41 0.00 0.00 173.24 173.99 1oql s LEU 109 N 1.55 3.75 0.00 2.44 1.43 -0.31 -4.91 118.68 122.62 1oql s LEU 109 Ca 0.05 2.24 0.19 0.00 -1.03 0.00 0.00 54.13 55.58 1oql s LEU 109 Cb -0.16 -4.56 1.02 0.00 0.03 0.00 0.00 46.19 42.52 1oql s LEU 109 CO 0.02 -1.29 1.57 -2.65 0.23 0.00 0.00 176.35 174.24 1oql n PRO 110 N -1.31 0.38 -4.36 1.29 -0.02 -1.26 -3.80 135.00 125.92 1oql n PRO 110 Ca 0.12 0.07 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 1oql n PRO 110 Cb 0.50 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.35 1oql n PRO 110 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1oql s PHE 111 N -2.38 1.40 0.27 6.00 -0.12 -1.26 -4.92 117.98 116.96 1oql s PHE 111 Ca 0.22 -0.39 -0.07 0.00 -0.05 0.00 0.00 56.93 56.64 1oql s PHE 111 Cb 0.13 -0.81 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 1oql s PHE 111 CO 0.27 0.07 0.55 0.54 -0.05 0.00 0.00 175.22 176.60 1oql s ASN 112 N -1.37 6.51 0.00 1.98 2.20 -1.26 -1.95 114.94 121.06 1oql s ASN 112 Ca 0.02 0.80 0.01 0.00 -0.94 0.00 0.00 52.86 52.75 1oql s ASN 112 Cb -0.09 -2.18 0.05 0.00 -2.00 0.00 0.00 41.25 37.03 1oql s ASN 112 CO 0.02 -0.15 0.30 0.61 -2.94 0.00 0.00 177.10 174.94 1oql n GLY 113 N -0.63 -0.05 3.78 0.45 0.00 -1.26 -4.03 105.19 103.45 1oql n GLY 113 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1oql n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oql s SER 114 N -1.97 6.48 0.31 1.61 1.04 -1.26 -4.85 113.70 115.06 1oql s SER 114 Ca 0.01 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.52 1oql s SER 114 Cb 0.01 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 64.11 1oql s SER 114 CO 0.01 -0.69 1.91 1.88 0.98 0.00 0.00 173.24 177.34 1oql h TYR 115 N 2.09 1.00 -0.61 5.02 0.99 -1.98 0.71 116.97 124.18 1oql h TYR 115 Ca -0.49 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.17 1oql h TYR 115 Cb 1.22 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 38.60 1oql h TYR 115 CO 0.56 0.52 0.02 -1.35 -0.00 0.00 0.00 178.16 177.91 1oql h PRO 116 N 0.98 1.06 -0.13 4.88 0.11 -1.94 0.37 132.00 137.34 1oql h PRO 116 Ca 0.39 -0.32 -0.20 0.00 0.11 0.00 0.00 66.00 65.97 1oql h PRO 116 Cb 0.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1oql h PRO 116 CO -0.15 1.02 -0.74 0.22 -0.21 0.00 0.00 178.00 178.15 1oql h ASP 117 N 0.98 0.75 -0.04 -2.05 -0.00 -1.68 -1.41 116.42 112.97 1oql h ASP 117 Ca 0.18 -0.48 -0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1oql h ASP 117 Cb 0.53 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.33 39.64 1oql h ASP 117 CO 0.03 1.26 0.01 0.25 -0.00 0.00 0.00 179.24 180.78 1oql h LEU 118 N 0.44 0.06 -2.21 2.28 5.85 -0.70 -2.15 115.31 118.87 1oql h LEU 118 Ca -0.04 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1oql h LEU 118 Cb 1.34 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1oql h LEU 118 CO 0.14 0.27 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.12 1oql h GLU 119 N -0.15 0.00 -0.39 1.25 5.08 -0.23 0.72 114.58 120.85 1oql h GLU 119 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1oql h GLU 119 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1oql h GLU 119 CO 0.00 0.06 0.26 -0.09 -1.00 0.00 0.00 179.01 178.24 1oql h ARG 120 N 0.00 0.52 0.00 2.33 2.43 -0.57 0.89 114.38 119.98 1oql h ARG 120 Ca -0.00 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.87 1oql h ARG 120 Cb 0.16 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1oql h ARG 120 CO 0.01 0.34 -1.56 1.88 -1.51 0.00 0.00 179.97 179.13 1oql h TYR 121 N 0.53 0.00 0.00 2.20 -1.99 -1.29 -3.39 116.97 113.03 1oql h TYR 121 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1oql h TYR 121 Cb -0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.67 1oql h TYR 121 CO -0.05 0.98 -1.15 0.00 -0.00 0.00 0.00 178.16 177.94 1oql n ALA 122 N -2.51 3.55 0.00 3.88 0.00 0.18 -4.22 120.51 121.39 1oql n ALA 122 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1oql n ALA 122 Cb 1.02 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1oql n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oql n GLY 123 N 1.45 -0.82 3.73 0.00 0.00 0.31 -4.85 105.19 105.00 1oql n GLY 123 Ca 0.01 -1.62 -0.66 0.00 0.00 0.00 0.00 46.02 43.74 1oql n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oql n HIS 124 N -0.54 1.78 0.34 1.61 8.25 -1.26 -4.60 115.22 120.80 1oql n HIS 124 Ca 0.00 1.06 0.04 0.00 -0.26 0.00 0.00 57.72 58.56 1oql n HIS 124 Cb 0.00 -2.26 0.19 0.00 1.12 0.00 0.00 29.99 29.04 1oql n HIS 124 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1oql n ARG 125 N 4.26 0.07 -0.16 -0.41 1.85 -1.26 -1.73 116.66 119.28 1oql n ARG 125 Ca 0.31 0.27 0.05 0.00 -1.00 0.00 0.00 57.85 57.49 1oql n ARG 125 Cb -0.04 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.02 1oql n ARG 125 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1oql n ASP 126 N -1.38 1.67 0.00 2.89 3.85 -1.26 -3.10 116.55 119.22 1oql n ASP 126 Ca 0.03 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 1oql n ASP 126 Cb 0.08 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 1oql n ASP 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1oql n GLN 127 N 0.41 0.63 -3.58 0.11 6.02 -0.71 -4.82 117.38 115.45 1oql n GLN 127 Ca 0.11 -0.68 -0.41 0.00 -0.01 0.00 0.00 57.00 56.01 1oql n GLN 127 Cb 0.27 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 30.66 1oql n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1oql s ILE 128 N -0.29 4.46 0.73 5.09 1.01 -1.18 -5.08 121.20 125.94 1oql s ILE 128 Ca 0.00 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 1oql s ILE 128 Cb 0.00 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1oql s ILE 128 CO 0.00 -0.42 1.24 -2.65 0.00 0.00 0.00 174.94 173.11 1oql n PRO 129 N 4.98 0.65 -4.46 2.79 -0.02 -1.26 -4.70 135.00 132.98 1oql n PRO 129 Ca -0.11 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.43 1oql n PRO 129 Cb 0.44 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 1oql n PRO 129 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oql s LEU 130 N -4.90 2.60 0.00 2.45 1.02 0.22 -4.91 118.68 115.15 1oql s LEU 130 Ca 0.78 -1.11 0.00 0.00 0.02 0.00 0.00 54.13 53.82 1oql s LEU 130 Cb -0.34 -0.88 0.00 0.00 0.02 0.00 0.00 46.19 44.99 1oql s LEU 130 CO 0.46 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.28 1oql n GLY 131 N -0.61 0.10 0.20 -3.19 0.00 -1.26 -0.66 105.19 99.77 1oql n GLY 131 Ca -0.06 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 1oql n GLY 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1oql h ILE 132 N 0.00 1.33 -0.50 -0.61 6.09 -1.88 -1.94 117.51 120.00 1oql h ILE 132 Ca 0.00 -1.80 -0.02 0.00 -1.37 0.00 0.00 64.86 61.66 1oql h ILE 132 Cb 0.00 1.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1oql h ILE 132 CO 0.00 0.55 0.22 0.44 -3.07 0.00 0.00 178.15 176.29 1oql h ASP 133 N 0.38 0.68 -0.41 2.19 3.45 -1.90 -0.81 116.42 119.99 1oql h ASP 133 Ca 0.01 -0.15 -0.12 0.00 0.43 0.00 0.00 57.03 57.20 1oql h ASP 133 Cb 1.07 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 1oql h ASP 133 CO 0.10 0.65 -0.19 1.56 -1.57 0.00 0.00 179.24 179.78 1oql h GLN 134 N 0.67 0.90 -0.37 3.56 7.50 -1.87 0.89 115.11 126.38 1oql h GLN 134 Ca 0.17 -0.36 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 1oql h GLN 134 Cb 0.17 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1oql h GLN 134 CO -0.02 1.01 0.20 1.25 -1.50 0.00 0.00 178.83 179.77 1oql h LEU 135 N 0.79 0.47 0.34 1.46 5.85 -1.08 -0.22 115.31 122.93 1oql h LEU 135 Ca 0.11 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1oql h LEU 135 Cb 0.73 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1oql h LEU 135 CO 0.06 0.44 -0.16 0.40 -0.34 0.00 0.00 178.44 178.83 1oql h ILE 136 N 0.47 0.68 -0.22 4.05 2.04 -0.90 -2.47 117.51 121.16 1oql h ILE 136 Ca 0.13 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1oql h ILE 136 Cb 0.08 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1oql h ILE 136 CO -0.02 0.04 0.17 1.56 0.00 0.00 0.00 178.15 179.90 1oql h GLN 137 N -0.56 0.00 -0.34 2.37 1.08 -0.65 -1.35 115.11 115.67 1oql h GLN 137 Ca -0.05 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.02 1oql h GLN 137 Cb 0.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1oql h GLN 137 CO 0.08 0.00 -0.32 0.77 -0.95 0.00 0.00 178.83 178.41 1oql h SER 138 N 0.00 0.77 0.24 1.46 0.02 -0.60 0.10 113.55 115.54 1oql h SER 138 Ca 0.10 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1oql h SER 138 Cb 0.45 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1oql h SER 138 CO -0.00 1.03 -0.11 0.58 -1.14 0.00 0.00 176.83 177.18 1oql h VAL 139 N 0.62 0.82 -0.71 2.27 2.07 -0.87 -1.89 116.25 118.56 1oql h VAL 139 Ca 0.07 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1oql h VAL 139 Cb 0.85 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1oql h VAL 139 CO 0.07 0.08 0.44 0.74 0.02 0.00 0.00 177.57 178.92 1oql h THR 140 N -0.51 1.07 -0.51 2.57 2.02 -1.18 -1.09 112.91 115.29 1oql h THR 140 Ca -0.03 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1oql h THR 140 Cb 0.38 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1oql h THR 140 CO 0.05 0.15 -0.11 0.00 0.37 0.00 0.00 175.52 175.98 1oql h ALA 141 N 1.32 0.84 0.00 6.16 0.00 -0.73 -3.11 119.26 123.74 1oql h ALA 141 Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1oql h ALA 141 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1oql h ALA 141 CO -0.13 0.65 -0.67 -0.07 0.00 0.00 0.00 179.25 179.04 1oql h LEU 142 N 0.85 0.00 -0.35 0.00 3.38 -1.10 -3.35 115.31 114.74 1oql h LEU 142 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1oql h LEU 142 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1oql h LEU 142 CO 0.05 0.67 -0.03 -0.09 0.09 0.00 0.00 178.44 179.12 1oql h ARG 143 N 0.00 0.65 -5.03 1.13 9.65 -1.14 -3.44 114.38 116.19 1oql h ARG 143 Ca -0.01 -0.22 -0.63 0.00 -1.10 0.00 0.00 59.98 58.02 1oql h ARG 143 Cb 1.42 -0.05 -0.17 0.00 -1.39 0.00 0.00 29.97 29.78 1oql h ARG 143 CO 0.09 0.78 -0.54 -0.06 2.80 0.00 0.00 179.97 183.04 1oql s PHE 144 N -4.91 3.23 0.13 2.20 0.40 -1.19 -4.65 117.98 113.20 1oql s PHE 144 Ca -0.13 0.05 -0.32 0.00 -0.60 0.00 0.00 56.93 55.93 1oql s PHE 144 Cb 0.09 -2.27 -0.12 0.00 0.51 0.00 0.00 43.02 41.24 1oql s PHE 144 CO 0.79 -0.07 1.77 -2.30 0.70 0.00 0.00 175.22 176.11 1oql n PRO 145 N 4.53 2.61 0.00 0.24 -0.02 -1.26 -4.12 135.00 136.97 1oql n PRO 145 Ca -0.15 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1oql n PRO 145 Cb 0.52 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1oql n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oql n GLY 146 N 4.03 -0.79 5.49 -1.23 0.00 -1.26 -5.15 105.19 106.28 1oql n GLY 146 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1oql n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oql n GLY 147 N 0.00 0.30 3.44 -0.02 0.00 -1.26 -4.97 105.19 102.68 1oql n GLY 147 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 1oql n GLY 147 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oql s SER 148 N -3.14 -0.46 0.19 1.61 1.04 -1.26 -5.01 113.70 106.66 1oql s SER 148 Ca 0.00 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1oql s SER 148 Cb 0.00 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.82 1oql s SER 148 CO 0.00 -0.98 1.84 0.74 0.98 0.00 0.00 173.24 175.82 1oql h THR 149 N 2.08 1.11 -0.88 2.02 2.02 -1.96 -1.55 112.91 115.76 1oql h THR 149 Ca -0.32 -0.27 0.14 0.00 0.77 0.00 0.00 66.41 66.73 1oql h THR 149 Cb 1.29 0.27 -0.09 0.00 -1.74 0.00 0.00 68.15 67.88 1oql h THR 149 CO 0.39 0.14 0.49 -0.09 0.37 0.00 0.00 175.52 176.81 1oql h ARG 150 N 0.77 0.68 -0.22 6.66 2.43 -1.97 -0.44 114.38 122.30 1oql h ARG 150 Ca 0.23 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1oql h ARG 150 Cb -0.04 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1oql h ARG 150 CO -0.07 0.45 -0.46 1.15 -1.51 0.00 0.00 179.97 179.52 1oql h THR 151 N 0.70 1.31 -0.20 0.20 2.02 -1.63 -1.41 112.91 113.90 1oql h THR 151 Ca 0.47 -1.67 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 1oql h THR 151 Cb 0.63 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1oql h THR 151 CO -0.34 0.52 -0.04 1.56 0.37 0.00 0.00 175.52 177.59 1oql h GLN 152 N 0.45 0.38 -0.55 6.66 4.20 -0.47 -0.64 115.11 125.13 1oql h GLN 152 Ca 0.03 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1oql h GLN 152 Cb 0.98 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 1oql h GLN 152 CO 0.09 0.62 0.29 0.00 -0.67 0.00 0.00 178.83 179.16 1oql h ALA 153 N 0.75 0.71 -0.55 3.87 0.00 -1.20 0.17 119.26 123.00 1oql h ALA 153 Ca 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1oql h ALA 153 Cb 0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1oql h ALA 153 CO 0.02 0.25 0.20 -0.09 0.00 0.00 0.00 179.25 179.62 1oql h ARG 154 N 0.74 0.80 -0.20 0.00 2.43 -1.16 0.16 114.38 117.15 1oql h ARG 154 Ca 0.19 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1oql h ARG 154 Cb 0.08 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1oql h ARG 154 CO -0.03 0.67 -0.69 0.77 -1.51 0.00 0.00 179.97 179.19 1oql h SER 155 N 0.78 0.91 -0.64 -3.80 0.02 -0.36 -2.69 113.55 107.77 1oql h SER 155 Ca 0.18 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 1oql h SER 155 Cb 0.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1oql h SER 155 CO -0.01 1.34 0.15 0.40 -1.14 0.00 0.00 176.83 177.57 1oql h ILE 156 N 0.56 1.26 -0.76 3.27 1.08 -0.14 -0.80 117.51 121.98 1oql h ILE 156 Ca -0.03 -0.94 0.06 0.00 -0.39 0.00 0.00 64.86 63.57 1oql h ILE 156 Cb 1.30 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 35.64 1oql h ILE 156 CO 0.14 0.36 0.50 -0.07 -0.69 0.00 0.00 178.15 178.38 1oql h LEU 157 N 0.95 0.71 -0.04 1.44 3.38 -0.62 0.32 115.31 121.46 1oql h LEU 157 Ca 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1oql h LEU 157 Cb 0.37 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1oql h LEU 157 CO 0.00 0.46 -0.37 0.40 0.09 0.00 0.00 178.44 179.02 1oql h ILE 158 N 0.81 1.45 -0.39 1.22 2.04 -1.13 -2.64 117.51 118.88 1oql h ILE 158 Ca 0.33 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 64.35 1oql h ILE 158 Cb 0.24 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1oql h ILE 158 CO -0.11 0.53 0.21 -0.07 0.00 0.00 0.00 178.15 178.71 1oql h LEU 159 N -0.22 0.34 0.16 1.44 3.38 -0.54 -1.08 115.31 118.79 1oql h LEU 159 Ca -0.04 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1oql h LEU 159 Cb 1.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1oql h LEU 159 CO 0.07 0.24 -0.11 0.40 0.09 0.00 0.00 178.44 179.14 1oql h ILE 160 N 0.44 0.76 -0.07 1.22 2.04 -0.46 -0.54 117.51 120.89 1oql h ILE 160 Ca 0.16 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 1oql h ILE 160 Cb 0.03 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1oql h ILE 160 CO -0.09 0.00 -0.38 1.56 0.00 0.00 0.00 178.15 179.24 1oql h GLN 161 N -0.27 0.15 0.00 2.37 4.20 -1.27 -0.67 115.11 119.62 1oql h GLN 161 Ca -0.01 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1oql h GLN 161 Cb 0.23 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1oql h GLN 161 CO 0.01 0.51 -0.69 -1.33 -0.67 0.00 0.00 178.83 176.65 1oql n MET 162 N -4.06 0.19 0.00 1.46 2.81 -0.43 -3.55 117.12 113.54 1oql n MET 162 Ca -0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1oql n MET 162 Cb 0.44 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1oql n MET 162 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1oql n ILE 163 N -1.87 0.00 0.00 2.02 5.41 -0.22 -4.50 119.36 120.21 1oql n ILE 163 Ca 0.04 0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.76 1oql n ILE 163 Cb 0.40 -0.87 -0.03 0.00 -0.71 0.00 0.00 39.64 38.43 1oql n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1oql h SER 164 N 0.00 -0.75 0.12 4.38 0.02 -1.30 -1.75 113.55 114.27 1oql h SER 164 Ca 0.00 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1oql h SER 164 Cb 0.00 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1oql h SER 164 CO 0.00 -0.29 -0.17 -0.33 -1.14 0.00 0.00 176.83 174.90 1oql h GLU 165 N -0.31 0.11 -0.04 3.45 4.39 -1.39 -1.39 114.58 119.40 1oql h GLU 165 Ca 0.10 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1oql h GLU 165 Cb 0.46 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1oql h GLU 165 CO -0.30 0.28 -0.51 0.00 -1.16 0.00 0.00 179.01 177.31 1oql h ALA 166 N 1.73 1.07 -0.45 3.43 0.00 -1.48 -1.14 119.26 122.43 1oql h ALA 166 Ca 0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1oql h ALA 166 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1oql h ALA 166 CO 0.02 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.66 1oql h ALA 167 N 1.39 0.63 0.03 0.00 0.00 -0.41 -3.28 119.26 117.63 1oql h ALA 167 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 1oql h ALA 167 Cb 0.93 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1oql h ALA 167 CO 0.07 0.66 -1.09 0.00 0.00 0.00 0.00 179.25 178.89 1oql h ARG 168 N 0.81 0.66 -6.08 0.00 3.08 -1.09 -3.39 114.38 108.38 1oql h ARG 168 Ca 0.09 -0.75 -0.65 0.00 0.07 0.00 0.00 59.98 58.74 1oql h ARG 168 Cb 0.85 0.22 -0.30 0.00 0.08 0.00 0.00 29.97 30.82 1oql h ARG 168 CO 0.08 1.33 -0.87 -0.06 -1.07 0.00 0.00 179.97 179.37 1oql s PHE 169 N -3.23 2.13 0.18 3.04 0.40 -0.45 -0.14 117.98 119.91 1oql s PHE 169 Ca -0.09 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 1oql s PHE 169 Cb 0.07 -1.39 0.05 0.00 0.51 0.00 0.00 43.02 42.26 1oql s PHE 169 CO 0.92 -0.11 1.41 -0.91 0.70 0.00 0.00 175.22 177.24 1oql h ASN 170 N 5.80 0.30 0.28 1.36 -0.26 -1.21 -2.06 115.58 119.80 1oql h ASN 170 Ca -0.37 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.14 1oql h ASN 170 Cb 1.15 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.32 1oql h ASN 170 CO 0.47 0.99 -0.03 -0.65 -1.06 0.00 0.00 177.43 177.16 1oql h PRO 171 N 0.15 0.00 0.05 0.81 0.11 -1.93 0.83 132.00 132.02 1oql h PRO 171 Ca -0.04 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.80 1oql h PRO 171 Cb 1.41 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.49 1oql h PRO 171 CO 0.13 0.03 -1.49 0.82 -0.21 0.00 0.00 178.00 177.27 1oql h ILE 172 N 0.00 0.84 -0.17 4.15 2.04 -1.83 -3.13 117.51 119.41 1oql h ILE 172 Ca -0.00 -2.25 0.02 0.00 1.00 0.00 0.00 64.86 63.64 1oql h ILE 172 Cb 0.17 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1oql h ILE 172 CO 0.00 0.53 0.02 0.25 0.00 0.00 0.00 178.15 178.95 1oql h LEU 173 N -0.61 -0.02 -1.56 1.44 5.85 -1.21 -0.40 115.31 118.80 1oql h LEU 173 Ca -0.37 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1oql h LEU 173 Cb 1.57 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1oql h LEU 173 CO -0.10 0.01 0.23 -0.50 -0.34 0.00 0.00 178.44 177.75 1oql h TRP 174 N 0.08 0.51 -0.04 1.25 4.06 -1.01 -1.04 115.95 119.75 1oql h TRP 174 Ca 0.08 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 1oql h TRP 174 Cb 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1oql h TRP 174 CO -0.15 0.35 -0.13 -0.09 -3.56 0.00 0.00 178.44 174.86 1oql h ARG 175 N 0.54 0.17 -0.99 0.49 2.43 -1.29 -2.15 114.38 113.57 1oql h ARG 175 Ca 0.14 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1oql h ARG 175 Cb -0.01 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 1oql h ARG 175 CO -0.03 0.74 0.66 0.00 -1.51 0.00 0.00 179.97 179.83 1oql h ALA 176 N 0.43 1.29 -0.40 2.80 0.00 -0.96 -0.92 119.26 121.50 1oql h ALA 176 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1oql h ALA 176 Cb 0.75 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1oql h ALA 176 CO 0.03 0.66 0.25 -0.09 0.00 0.00 0.00 179.25 180.10 1oql h ARG 177 N 1.35 0.54 0.30 0.00 2.43 -1.19 0.11 114.38 117.92 1oql h ARG 177 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1oql h ARG 177 Cb -0.16 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1oql h ARG 177 CO -0.08 0.39 -0.18 0.37 -1.51 0.00 0.00 179.97 178.96 1oql h GLN 178 N 0.54 -0.44 -0.54 0.20 4.15 -0.65 -2.34 115.11 116.03 1oql h GLN 178 Ca 0.15 0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.51 1oql h GLN 178 Cb -0.02 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 1oql h GLN 178 CO -0.03 -0.29 -0.01 1.88 -1.93 0.00 0.00 178.83 178.45 1oql h TYR 179 N -0.46 1.01 -0.12 3.99 -1.99 -1.10 -2.16 116.97 116.14 1oql h TYR 179 Ca -0.03 -0.16 0.02 0.00 2.00 0.00 0.00 58.73 60.55 1oql h TYR 179 Cb 0.37 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 1oql h TYR 179 CO -0.08 0.91 0.08 0.82 -0.00 0.00 0.00 178.16 179.90 1oql h ILE 180 N 0.86 0.98 0.34 -2.88 2.04 -0.64 0.54 117.51 118.75 1oql h ILE 180 Ca 0.16 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1oql h ILE 180 Cb 0.52 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1oql h ILE 180 CO 0.03 0.01 -0.16 0.78 0.00 0.00 0.00 178.15 178.81 1oql h ASN 181 N 0.08 -0.39 0.19 1.72 2.35 -0.85 -3.13 115.58 115.56 1oql h ASN 181 Ca 0.05 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1oql h ASN 181 Cb 0.11 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1oql h ASN 181 CO -0.01 0.07 0.00 -1.54 -1.65 0.00 0.00 177.43 174.30 1oql n SER 182 N -5.09 0.00 -0.17 5.81 3.41 -0.89 -4.84 113.62 111.85 1oql n SER 182 Ca -0.08 -0.07 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 1oql n SER 182 Cb 0.25 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1oql n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oql n GLY 183 N -0.10 0.31 3.92 5.00 0.00 0.15 -4.97 105.19 109.51 1oql n GLY 183 Ca 0.08 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1oql n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oql s ALA 184 N -1.40 3.22 0.23 4.61 0.00 -1.04 -4.87 121.76 122.50 1oql s ALA 184 Ca 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1oql s ALA 184 Cb 0.00 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1oql s ALA 184 CO 0.00 -1.06 0.06 -1.12 0.00 0.00 0.00 175.76 173.63 1oql s SER 185 N -4.41 4.91 0.01 0.00 0.01 -1.26 -4.50 113.70 108.46 1oql s SER 185 Ca 0.57 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 57.22 1oql s SER 185 Cb -0.11 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.08 1oql s SER 185 CO 0.45 0.02 0.35 0.72 0.41 0.00 0.00 173.24 175.19 1oql s PHE 186 N -2.08 -0.20 -0.04 2.43 -0.12 0.16 -4.94 117.98 113.19 1oql s PHE 186 Ca 0.31 0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 57.40 1oql s PHE 186 Cb -0.08 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 1oql s PHE 186 CO 0.21 -0.47 0.05 -0.51 -0.05 0.00 0.00 175.22 174.46 1oql s LEU 187 N -1.65 3.81 -0.01 -1.99 1.43 -1.26 0.69 118.68 119.70 1oql s LEU 187 Ca -0.09 0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 1oql s LEU 187 Cb -0.03 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 1oql s LEU 187 CO 0.01 0.32 1.46 -2.16 0.23 0.00 0.00 176.35 176.22 1oql s PRO 188 N -1.37 4.25 1.02 1.29 0.04 -1.26 -5.00 135.00 133.97 1oql s PRO 188 Ca 0.19 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 1oql s PRO 188 Cb -0.12 -3.65 0.25 0.00 0.04 0.00 0.00 34.50 31.01 1oql s PRO 188 CO 0.09 -0.65 1.07 -0.40 0.04 0.00 0.00 177.00 177.15 1oql n ASP 189 N 5.77 -1.15 -0.21 6.66 5.75 -1.26 -4.77 116.55 127.34 1oql n ASP 189 Ca 0.14 -1.24 -0.01 0.00 -0.01 0.00 0.00 54.79 53.67 1oql n ASP 189 Cb 0.43 -0.91 0.10 0.00 -1.03 0.00 0.00 41.12 39.71 1oql n ASP 189 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1oql h VAL 190 N -2.24 0.89 0.45 2.12 2.07 -1.95 -2.22 116.25 115.38 1oql h VAL 190 Ca -0.38 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1oql h VAL 190 Cb 1.11 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1oql h VAL 190 CO 0.26 0.10 -0.27 0.22 0.02 0.00 0.00 177.57 177.89 1oql h TYR 191 N 0.55 -0.71 -0.83 1.57 3.20 -1.93 -0.49 116.97 118.33 1oql h TYR 191 Ca 0.29 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.29 1oql h TYR 191 Cb 0.26 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 38.69 1oql h TYR 191 CO -0.11 -0.42 0.42 1.98 -1.64 0.00 0.00 178.16 178.39 1oql h MET 192 N -0.69 0.60 -0.45 1.82 4.05 -1.87 0.11 114.93 118.51 1oql h MET 192 Ca -0.05 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1oql h MET 192 Cb 0.56 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1oql h MET 192 CO 0.06 0.40 0.04 -0.07 0.23 0.00 0.00 176.91 177.57 1oql h LEU 193 N 0.62 0.66 0.00 3.39 3.38 -0.92 -1.34 115.31 121.10 1oql h LEU 193 Ca 0.44 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 1oql h LEU 193 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1oql h LEU 193 CO -0.35 0.71 -0.71 -0.33 0.09 0.00 0.00 178.44 177.85 1oql h GLU 194 N 0.67 0.00 -0.32 1.13 5.08 0.31 -2.96 114.58 118.48 1oql h GLU 194 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1oql h GLU 194 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1oql h GLU 194 CO 0.01 0.62 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.50 1oql h LEU 195 N 0.00 0.62 -0.72 1.33 3.38 -0.38 -1.82 115.31 117.72 1oql h LEU 195 Ca -0.02 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1oql h LEU 195 Cb 1.51 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 1oql h LEU 195 CO 0.08 0.83 0.38 -0.33 0.09 0.00 0.00 178.44 179.49 1oql h GLU 196 N 0.40 0.63 -0.00 1.13 5.08 -1.26 -2.27 114.58 118.29 1oql h GLU 196 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1oql h GLU 196 Cb 0.56 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1oql h GLU 196 CO 0.03 0.42 -0.28 0.25 -1.00 0.00 0.00 179.01 178.43 1oql n THR 197 N -4.83 0.00 0.40 1.13 -2.24 -1.12 -3.79 114.28 103.83 1oql n THR 197 Ca 0.11 -0.08 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1oql n THR 197 Cb 0.25 0.22 0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1oql n THR 197 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1oql n SER 198 N -0.97 2.90 -0.29 3.42 3.41 -0.69 -4.55 113.62 116.86 1oql n SER 198 Ca 0.11 -1.85 0.04 0.00 -0.26 0.00 0.00 58.87 56.91 1oql n SER 198 Cb 0.33 -0.14 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 1oql n SER 198 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1oql h TRP 199 N 3.56 0.82 -0.61 7.33 7.01 -1.58 0.19 115.95 132.66 1oql h TRP 199 Ca 0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 1oql h TRP 199 Cb 0.82 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1oql h TRP 199 CO 0.14 0.28 0.22 0.78 -2.79 0.00 0.00 178.44 177.07 1oql h GLY 200 N 0.72 0.99 0.50 2.65 0.00 -1.87 -1.43 103.07 104.64 1oql h GLY 200 Ca 0.42 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1oql h GLY 200 CO -0.29 0.53 -0.02 1.46 0.00 0.00 0.00 176.54 178.21 1oql h GLN 201 N 0.86 0.04 -0.68 4.80 4.20 -1.67 -1.44 115.11 121.22 1oql h GLN 201 Ca 0.20 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.03 1oql h GLN 201 Cb 0.23 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.90 1oql h GLN 201 CO -0.01 0.56 0.02 0.37 -0.67 0.00 0.00 178.83 179.10 1oql h GLN 202 N -0.47 0.13 -0.24 1.46 4.15 -0.62 0.49 115.11 120.01 1oql h GLN 202 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1oql h GLN 202 Cb 0.55 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1oql h GLN 202 CO 0.00 0.08 0.14 0.77 -1.93 0.00 0.00 178.83 177.90 1oql h SER 203 N 0.13 0.28 -0.41 -0.69 0.02 -1.21 -1.48 113.55 110.20 1oql h SER 203 Ca 0.36 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1oql h SER 203 Cb 0.61 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1oql h SER 203 CO -0.57 0.25 0.01 0.74 -1.14 0.00 0.00 176.83 176.12 1oql h THR 204 N 0.29 1.26 -0.52 -2.27 2.02 -0.04 -2.52 112.91 111.13 1oql h THR 204 Ca 0.08 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 1oql h THR 204 Cb 0.02 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1oql h THR 204 CO -0.02 0.34 0.13 1.56 0.37 0.00 0.00 175.52 177.90 1oql h GLN 205 N 0.55 0.82 -0.14 6.66 1.08 0.04 0.22 115.11 124.33 1oql h GLN 205 Ca 0.12 -0.19 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1oql h GLN 205 Cb 0.46 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1oql h GLN 205 CO 0.02 0.78 -0.02 0.28 -0.95 0.00 0.00 178.83 178.94 1oql h VAL 206 N 0.72 0.88 -0.30 -0.54 2.07 -1.23 0.25 116.25 118.10 1oql h VAL 206 Ca 0.16 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.54 1oql h VAL 206 Cb 0.32 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1oql h VAL 206 CO 0.00 0.00 -0.36 1.56 0.02 0.00 0.00 177.57 178.79 1oql h GLN 207 N 0.02 0.68 0.00 1.57 4.20 -1.30 -2.99 115.11 117.29 1oql h GLN 207 Ca 0.07 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1oql h GLN 207 Cb 0.09 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1oql h GLN 207 CO -0.13 0.93 -0.08 0.72 -0.67 0.00 0.00 178.83 179.61 1oql n HIS 208 N -4.05 0.26 -1.65 2.96 8.25 0.75 -4.91 115.22 116.82 1oql n HIS 208 Ca -0.01 0.07 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 1oql n HIS 208 Cb 0.51 -0.59 0.06 0.00 1.12 0.00 0.00 29.99 31.08 1oql n HIS 208 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1oql n SER 209 N -1.72 1.19 -4.25 0.41 3.41 0.86 -4.81 113.62 108.71 1oql n SER 209 Ca 0.06 0.81 -0.36 0.00 -0.26 0.00 0.00 58.87 59.12 1oql n SER 209 Cb 0.37 -1.45 -0.13 0.00 -0.26 0.00 0.00 64.21 62.74 1oql n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1oql s THR 210 N -1.48 3.43 -1.74 6.66 2.01 -1.00 -4.50 115.64 119.01 1oql s THR 210 Ca 0.79 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1oql s THR 210 Cb -0.40 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1oql s THR 210 CO 0.44 0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.85 1oql n ASP 211 N 4.75 -5.23 0.00 3.53 9.92 -1.26 -0.76 116.55 127.50 1oql n ASP 211 Ca -0.14 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1oql n ASP 211 Cb 0.46 -4.48 0.00 0.00 -0.64 0.00 0.00 41.12 36.46 1oql n ASP 211 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oql n GLY 212 N -0.73 1.07 3.64 0.44 0.00 -1.26 -4.99 105.19 103.35 1oql n GLY 212 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1oql n GLY 212 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oql s VAL 213 N -2.87 4.99 0.22 1.61 1.01 0.06 -1.20 120.40 124.21 1oql s VAL 213 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 1oql s VAL 213 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1oql s VAL 213 CO 0.00 0.05 1.45 -0.36 0.00 0.00 0.00 175.10 176.24 1oql s PHE 214 N 2.33 3.06 -0.14 5.22 0.40 -0.07 -2.38 117.98 126.40 1oql s PHE 214 Ca 0.28 0.97 0.22 0.00 -0.60 0.00 0.00 56.93 57.79 1oql s PHE 214 Cb -0.16 -3.81 0.52 0.00 0.51 0.00 0.00 43.02 40.08 1oql s PHE 214 CO 0.09 -2.72 1.66 -0.91 0.70 0.00 0.00 175.22 174.03 1oql h ASN 215 N 5.49 0.00 -2.52 1.36 2.35 -1.87 -3.39 115.58 117.00 1oql h ASN 215 Ca -0.45 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.73 1oql h ASN 215 Cb 1.21 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 39.20 1oql h ASN 215 CO 0.81 0.21 -0.85 0.20 -1.65 0.00 0.00 177.43 176.15 1oql s ASN 216 N -6.22 2.72 0.24 5.81 0.01 -1.26 -5.12 114.94 111.12 1oql s ASN 216 Ca 0.04 -2.20 -0.29 0.00 -0.71 0.00 0.00 52.86 49.70 1oql s ASN 216 Cb 0.08 -0.32 -0.15 0.00 0.41 0.00 0.00 41.25 41.26 1oql s ASN 216 CO 0.67 -0.30 0.88 -2.65 -1.51 0.00 0.00 177.10 174.19 1oql n PRO 217 N 3.97 0.88 -3.91 -0.60 -0.02 -1.26 -4.96 135.00 129.10 1oql n PRO 217 Ca 0.13 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.57 1oql n PRO 217 Cb 0.38 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 1oql n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1oql s ILE 218 N -0.91 5.11 -0.25 4.25 1.01 -0.99 -4.94 121.20 124.47 1oql s ILE 218 Ca 0.63 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 1oql s ILE 218 Cb -0.80 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1oql s ILE 218 CO 0.58 0.49 -0.02 -0.60 0.00 0.00 0.00 174.94 175.39 1oql s ARG 219 N 0.02 3.10 -0.13 2.79 3.52 -1.26 -0.11 118.95 126.89 1oql s ARG 219 Ca 0.08 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1oql s ARG 219 Cb -0.12 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1oql s ARG 219 CO 0.00 -0.34 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.55 1oql s LEU 220 N 1.43 2.94 -0.05 -0.88 1.43 0.69 -4.95 118.68 119.29 1oql s LEU 220 Ca 0.03 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1oql s LEU 220 Cb -0.16 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1oql s LEU 220 CO -0.02 0.20 0.94 0.00 0.23 0.00 0.00 176.35 177.69 1oql s ALA 221 N 0.18 3.27 0.14 4.21 0.00 -1.26 0.33 121.76 128.64 1oql s ALA 221 Ca -0.05 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 1oql s ALA 221 Cb -0.15 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1oql s ALA 221 CO 0.04 -0.34 0.56 0.42 0.00 0.00 0.00 175.76 176.44 1oql s ILE 222 N 1.32 4.84 0.27 0.00 -1.09 0.59 -4.23 121.20 122.91 1oql s ILE 222 Ca 0.48 0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 59.71 1oql s ILE 222 Cb -0.20 -3.75 0.44 0.00 -1.58 0.00 0.00 42.46 37.37 1oql s ILE 222 CO 0.23 0.27 1.51 -2.65 -1.23 0.00 0.00 174.94 173.07 1oql n PRO 223 N 0.89 -0.09 0.00 2.79 -0.02 -1.26 -2.12 135.00 135.19 1oql n PRO 223 Ca -0.06 1.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.92 1oql n PRO 223 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1oql n PRO 223 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1oql n PRO 224 N -5.56 0.25 -2.23 0.52 -0.02 -1.26 -4.65 135.00 122.05 1oql n PRO 224 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.55 1oql n PRO 224 Cb 0.51 -1.26 -0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1oql n PRO 224 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oql n GLY 225 N 0.65 0.03 0.49 -1.23 0.00 -0.90 -5.04 105.19 99.20 1oql n GLY 225 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1oql n GLY 225 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oql n ASN 226 N 0.27 2.10 -4.18 1.61 3.02 -1.02 -4.98 115.26 112.08 1oql n ASN 226 Ca -0.10 -1.30 -0.11 0.00 -0.03 0.00 0.00 54.58 53.05 1oql n ASN 226 Cb 0.58 0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 1oql n ASN 226 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1oql s PHE 227 N -1.16 1.02 -0.05 3.10 0.40 -1.26 -0.30 117.98 119.74 1oql s PHE 227 Ca 0.00 -1.25 -0.02 0.00 -0.60 0.00 0.00 56.93 55.06 1oql s PHE 227 Cb -0.00 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 43.02 1oql s PHE 227 CO 0.00 -0.51 0.09 0.54 0.70 0.00 0.00 175.22 176.04 1oql s VAL 228 N -4.03 -0.10 -0.19 -0.44 0.11 0.15 -4.72 120.40 111.19 1oql s VAL 228 Ca 0.29 0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1oql s VAL 228 Cb 0.07 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1oql s VAL 228 CO 0.06 0.11 0.03 -0.89 -3.33 0.00 0.00 175.10 171.08 1oql s THR 229 N 1.52 4.41 -0.53 5.04 2.01 -1.26 -0.22 115.64 126.61 1oql s THR 229 Ca -0.04 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.62 1oql s THR 229 Cb -0.12 -2.98 0.09 0.00 0.01 0.00 0.00 72.50 69.50 1oql s THR 229 CO -0.04 0.45 0.54 -0.76 -0.69 0.00 0.00 174.62 174.12 1oql s LEU 230 N 0.58 5.60 -0.02 4.42 1.43 0.84 -4.91 118.68 126.63 1oql s LEU 230 Ca 0.01 -1.40 0.12 0.00 -1.03 0.00 0.00 54.13 51.83 1oql s LEU 230 Cb -0.13 -2.27 -0.19 0.00 0.03 0.00 0.00 46.19 43.63 1oql s LEU 230 CO 0.02 -0.87 0.30 0.35 0.23 0.00 0.00 176.35 176.38 1oql n THR 231 N 5.38 0.00 -4.21 5.49 -2.24 -1.26 -2.36 114.28 115.09 1oql n THR 231 Ca -0.11 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1oql n THR 231 Cb 0.43 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 1oql n THR 231 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1oql s ASN 232 N -3.30 0.98 0.53 3.42 3.84 -1.26 -0.89 114.94 118.26 1oql s ASN 232 Ca -0.04 -1.16 0.22 0.00 0.21 0.00 0.00 52.86 52.10 1oql s ASN 232 Cb 0.08 0.16 1.43 0.00 -0.55 0.00 0.00 41.25 42.37 1oql s ASN 232 CO 0.52 -0.60 2.14 0.58 -2.79 0.00 0.00 177.10 176.95 1oql h VAL 233 N 2.78 0.80 0.00 -5.21 2.07 -1.54 -1.59 116.25 113.55 1oql h VAL 233 Ca -0.36 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1oql h VAL 233 Cb 1.20 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1oql h VAL 233 CO 0.62 0.06 -0.14 0.03 0.02 0.00 0.00 177.57 178.16 1oql h ARG 234 N 0.00 0.00 0.00 1.57 3.08 -1.96 0.32 114.38 117.39 1oql h ARG 234 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1oql h ARG 234 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1oql h ARG 234 CO 0.01 0.14 0.00 -0.25 -1.07 0.00 0.00 179.97 178.80 1oql n ASP 235 N -3.68 0.68 0.00 7.04 8.00 -0.60 -3.64 116.55 124.34 1oql n ASP 235 Ca -0.02 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1oql n ASP 235 Cb 0.26 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1oql n ASP 235 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1oql n VAL 236 N -2.19 0.00 -0.03 2.53 0.24 -0.69 -4.82 118.33 113.38 1oql n VAL 236 Ca 0.04 -0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.12 1oql n VAL 236 Cb 0.31 1.01 0.54 0.00 -1.47 0.00 0.00 33.84 34.23 1oql n VAL 236 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1oql h ILE 237 N 0.01 0.89 -0.07 1.34 2.10 -0.47 -0.79 117.51 120.52 1oql h ILE 237 Ca 0.00 -0.10 -0.24 0.00 1.08 0.00 0.00 64.86 65.60 1oql h ILE 237 Cb 0.00 0.56 0.01 0.00 -1.09 0.00 0.00 36.82 36.31 1oql h ILE 237 CO 0.00 0.06 -0.89 0.00 -1.08 0.00 0.00 178.15 176.24 1oql h ALA 238 N 1.74 0.29 0.10 0.18 0.00 -1.85 -3.39 119.26 116.32 1oql h ALA 238 Ca 0.23 -0.65 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 1oql h ALA 238 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1oql h ALA 238 CO -0.05 0.71 -1.84 -1.13 0.00 0.00 0.00 179.25 176.94 1oql n SER 239 N -3.87 2.07 -4.58 0.00 3.41 -0.90 -4.79 113.62 104.96 1oql n SER 239 Ca -0.08 0.26 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 1oql n SER 239 Cb 0.80 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1oql n SER 239 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oql s LEU 240 N -7.24 3.42 0.08 1.04 2.96 -0.35 -0.80 118.68 117.79 1oql s LEU 240 Ca -0.24 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1oql s LEU 240 Cb 0.06 -3.06 -0.23 0.00 0.50 0.00 0.00 46.19 43.46 1oql s LEU 240 CO 0.73 -1.96 1.17 0.00 -1.32 0.00 0.00 176.35 174.98 1oql h ALA 241 N 13.34 0.13 -2.11 5.97 0.00 -0.80 -3.46 119.26 132.33 1oql h ALA 241 Ca -0.29 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 53.76 1oql h ALA 241 Cb 1.15 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1oql h ALA 241 CO 1.13 0.82 0.09 -1.50 0.00 0.00 0.00 179.25 179.79 1oql s ILE 242 N -2.94 0.00 0.28 0.00 2.07 -1.24 -4.33 121.20 115.05 1oql s ILE 242 Ca -0.06 -0.04 0.11 0.00 -1.41 0.00 0.00 60.65 59.25 1oql s ILE 242 Cb 0.07 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.68 1oql s ILE 242 CO 0.90 -0.02 -0.12 -0.04 -1.91 0.00 0.00 174.94 173.75 1oql s MET 243 N -0.45 1.91 0.25 3.50 -1.94 0.37 -4.81 119.30 118.14 1oql s MET 243 Ca -0.06 -1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 51.96 1oql s MET 243 Cb -0.03 -1.90 -0.09 0.00 2.01 0.00 0.00 34.83 34.82 1oql s MET 243 CO 0.05 0.32 1.07 -1.17 -0.01 0.00 0.00 175.02 175.28 1oql s LEU 244 N -3.58 4.56 -0.24 -0.03 2.96 -1.26 -0.99 118.68 120.09 1oql s LEU 244 Ca 0.31 2.18 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 1oql s LEU 244 Cb -0.05 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 1oql s LEU 244 CO 0.17 -0.10 1.35 0.12 -1.32 0.00 0.00 176.35 176.57 1oql s PHE 245 N -1.00 2.61 -0.87 5.38 5.36 -1.26 -4.83 117.98 123.37 1oql s PHE 245 Ca 0.45 0.83 0.07 0.00 -0.96 0.00 0.00 56.93 57.32 1oql s PHE 245 Cb -0.30 -3.81 0.06 0.00 -0.34 0.00 0.00 43.02 38.63 1oql s PHE 245 CO 0.38 -1.98 0.75 0.28 -1.46 0.00 0.00 175.22 173.19 1oql n VAL 246 N 5.99 0.05 -1.76 3.12 0.31 -1.26 -4.79 118.33 119.99 1oql n VAL 246 Ca 0.15 -0.53 -0.31 0.00 -0.01 0.00 0.00 64.34 63.65 1oql n VAL 246 Cb 0.46 1.12 0.03 0.00 -0.91 0.00 0.00 33.84 34.53 1oql n VAL 246 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51