#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1r s LEU 11 N 0.00 4.13 0.45 3.41 2.96 -1.26 -5.02 118.68 123.35 1x1r s LEU 11 Ca 0.00 1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 55.25 1x1r s LEU 11 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 1x1r s LEU 11 CO 0.00 -0.73 0.95 -2.16 -1.32 0.00 0.00 176.35 173.09 1x1r s PRO 12 N 3.38 4.11 -0.18 0.98 0.04 -1.26 -4.85 135.00 137.22 1x1r s PRO 12 Ca 0.50 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 1x1r s PRO 12 Cb -0.18 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1x1r s PRO 12 CO 0.11 -0.10 0.11 0.99 0.04 0.00 0.00 177.00 178.14 1x1r s THR 13 N -2.32 5.20 -0.32 1.26 2.01 -1.26 -0.87 115.64 119.34 1x1r s THR 13 Ca 0.60 0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 1x1r s THR 13 Cb -0.09 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.10 1x1r s THR 13 CO 0.20 0.48 0.09 -0.31 -0.69 0.00 0.00 174.62 174.38 1x1r s TYR 14 N 0.13 3.20 -0.38 4.92 2.02 0.54 -4.95 117.35 122.83 1x1r s TYR 14 Ca 0.08 -1.20 -0.21 0.00 -0.37 0.00 0.00 57.07 55.36 1x1r s TYR 14 Cb -0.12 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.19 1x1r s TYR 14 CO -0.00 -0.65 0.66 0.21 -1.57 0.00 0.00 175.55 174.19 1x1r s LYS 15 N 1.45 3.57 -0.08 -0.62 2.20 -1.26 -1.33 119.74 123.67 1x1r s LYS 15 Ca 0.01 -0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1x1r s LYS 15 Cb -0.18 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1x1r s LYS 15 CO 0.02 -0.84 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.51 1x1r s LEU 16 N 2.82 2.69 -0.13 5.43 1.43 0.30 -0.07 118.68 131.15 1x1r s LEU 16 Ca 0.25 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1x1r s LEU 16 Cb -0.14 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1x1r s LEU 16 CO 0.17 0.28 -0.21 -0.69 0.23 0.00 0.00 176.35 176.13 1x1r s VAL 17 N -0.33 1.93 -0.34 -1.59 1.01 -0.46 -1.09 120.40 119.52 1x1r s VAL 17 Ca 0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1x1r s VAL 17 Cb -0.13 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1x1r s VAL 17 CO 0.02 0.53 0.23 -0.69 0.00 0.00 0.00 175.10 175.19 1x1r s VAL 18 N 0.81 5.16 0.26 2.92 1.01 -0.23 -1.34 120.40 128.99 1x1r s VAL 18 Ca -0.08 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1x1r s VAL 18 Cb -0.16 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1x1r s VAL 18 CO -0.01 -0.03 -0.13 0.68 0.00 0.00 0.00 175.10 175.61 1x1r s VAL 19 N 1.70 1.95 0.00 2.92 -7.23 -0.10 -2.49 120.40 117.14 1x1r s VAL 19 Ca 0.06 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1x1r s VAL 19 Cb -0.18 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1x1r s VAL 19 CO 0.10 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1x1r n GLY 20 N -0.54 3.24 3.65 2.32 0.00 -1.26 -0.72 105.19 111.88 1x1r n GLY 20 Ca -0.06 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 1x1r n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x1r n ASP 21 N 0.00 0.43 -4.70 1.61 10.43 -1.26 -4.93 116.55 118.12 1x1r n ASP 21 Ca 0.00 0.52 -0.42 0.00 2.57 0.00 0.00 54.79 57.46 1x1r n ASP 21 Cb 0.00 -1.45 -0.00 0.00 1.84 0.00 0.00 41.12 41.50 1x1r n ASP 21 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x1r n GLY 22 N 0.65 0.61 1.67 0.44 0.00 -1.26 -3.22 105.19 104.09 1x1r n GLY 22 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1x1r n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1r n GLY 23 N 0.76 0.78 0.21 -0.02 0.00 -1.26 -4.93 105.19 100.73 1x1r n GLY 23 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1x1r n GLY 23 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x1r h VAL 24 N 0.00 0.01 0.00 1.61 -1.51 -1.92 -3.48 116.25 110.96 1x1r h VAL 24 Ca 0.00 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 1x1r h VAL 24 Cb 0.00 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1x1r h VAL 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1x1r n GLY 25 N 1.11 1.66 0.14 5.19 0.00 -1.26 -4.45 105.19 107.59 1x1r n GLY 25 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1x1r n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x1r h LYS 26 N 0.00 0.19 -0.16 1.61 1.57 -1.91 0.01 116.57 117.87 1x1r h LYS 26 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1x1r h LYS 26 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1x1r h LYS 26 CO 0.00 0.13 -0.03 0.77 -0.57 0.00 0.00 179.45 179.75 1x1r h SER 27 N 0.20 0.30 -1.01 0.86 0.02 -1.95 -1.42 113.55 110.55 1x1r h SER 27 Ca 0.15 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1x1r h SER 27 Cb 0.15 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1x1r h SER 27 CO -0.18 0.58 0.66 0.00 -1.14 0.00 0.00 176.83 176.75 1x1r h ALA 28 N 0.73 1.36 -0.32 3.77 0.00 -1.79 0.52 119.26 123.52 1x1r h ALA 28 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1x1r h ALA 28 Cb 0.44 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1x1r h ALA 28 CO 0.01 0.53 -0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1x1r h LEU 29 N 1.25 0.59 -0.47 0.00 3.38 -0.90 -1.12 115.31 118.04 1x1r h LEU 29 Ca 0.41 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1x1r h LEU 29 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1x1r h LEU 29 CO -0.14 0.79 -0.05 0.74 0.09 0.00 0.00 178.44 179.87 1x1r h THR 30 N 0.38 1.27 -0.57 0.22 2.02 -0.80 -0.84 112.91 114.59 1x1r h THR 30 Ca 0.09 -1.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1x1r h THR 30 Cb 0.51 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1x1r h THR 30 CO 0.02 0.39 0.04 0.40 0.37 0.00 0.00 175.52 176.75 1x1r h ILE 31 N 0.71 1.26 -0.60 3.11 2.04 -0.91 -1.38 117.51 121.74 1x1r h ILE 31 Ca 0.13 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.96 1x1r h ILE 31 Cb 0.57 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1x1r h ILE 31 CO 0.03 0.39 0.35 -0.61 0.00 0.00 0.00 178.15 178.31 1x1r h GLN 32 N 0.88 0.65 -0.22 2.37 5.75 -1.02 0.57 115.11 124.09 1x1r h GLN 32 Ca 0.17 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1x1r h GLN 32 Cb 0.49 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1x1r h GLN 32 CO 0.02 0.43 0.14 0.35 -2.65 0.00 0.00 178.83 177.12 1x1r h PHE 33 N 0.67 0.29 0.07 3.99 3.04 -0.75 0.24 116.94 124.49 1x1r h PHE 33 Ca 0.25 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.91 1x1r h PHE 33 Cb 0.09 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1x1r h PHE 33 CO -0.07 0.21 -1.59 0.74 -2.02 0.00 0.00 178.31 175.58 1x1r h PHE 34 N 0.27 0.27 -0.00 0.41 0.04 -1.03 -3.39 116.94 113.51 1x1r h PHE 34 Ca 0.08 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1x1r h PHE 34 Cb 0.01 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1x1r h PHE 34 CO -0.05 1.28 -0.32 1.04 -0.60 0.00 0.00 178.31 179.66 1x1r n GLN 35 N -3.33 4.02 -2.93 1.51 1.13 0.20 -5.01 117.38 112.96 1x1r n GLN 35 Ca -0.17 -0.11 -0.22 0.00 -1.94 0.00 0.00 57.00 54.57 1x1r n GLN 35 Cb 1.03 -0.89 0.02 0.00 0.11 0.00 0.00 30.24 30.51 1x1r n GLN 35 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x1r n LYS 36 N -1.01 -3.98 -4.06 -1.09 5.02 0.07 -4.97 118.16 108.15 1x1r n LYS 36 Ca 0.02 0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 57.04 1x1r n LYS 36 Cb 0.13 -5.64 -0.11 0.00 -0.02 0.00 0.00 35.03 29.39 1x1r n LYS 36 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1x1r s ILE 37 N -3.08 0.43 -0.23 -0.18 -4.36 -1.26 -5.02 121.20 107.50 1x1r s ILE 37 Ca 0.25 -1.19 -0.21 0.00 -0.26 0.00 0.00 60.65 59.24 1x1r s ILE 37 Cb -0.11 -0.71 -0.02 0.00 1.25 0.00 0.00 42.46 42.87 1x1r s ILE 37 CO 0.31 -0.51 0.67 0.12 0.24 0.00 0.00 174.94 175.76 1x1r s PHE 38 N -1.83 3.32 -0.38 1.37 5.36 -1.26 -3.44 117.98 121.12 1x1r s PHE 38 Ca -0.08 0.91 -0.05 0.00 -0.96 0.00 0.00 56.93 56.75 1x1r s PHE 38 Cb -0.07 -2.87 0.08 0.00 -0.34 0.00 0.00 43.02 39.82 1x1r s PHE 38 CO -0.01 -0.29 0.17 0.08 -1.46 0.00 0.00 175.22 173.70 1x1r s VAL 39 N 2.39 3.64 0.52 3.12 1.01 -1.26 -5.03 120.40 124.78 1x1r s VAL 39 Ca 0.28 -1.55 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1x1r s VAL 39 Cb -0.16 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1x1r s VAL 39 CO 0.09 -0.43 1.04 -2.16 0.00 0.00 0.00 175.10 173.64 1x1r s PRO 40 N 1.30 3.66 -1.56 2.72 0.04 -1.26 -4.12 135.00 135.79 1x1r s PRO 40 Ca 0.02 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1x1r s PRO 40 Cb -0.22 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1x1r s PRO 40 CO -0.00 -0.54 0.74 -0.25 0.04 0.00 0.00 177.00 176.99 1x1r n ASP 41 N -1.32 -2.82 -4.77 6.66 8.00 -1.26 -4.91 116.55 116.13 1x1r n ASP 41 Ca 0.09 -0.93 -0.40 0.00 0.71 0.00 0.00 54.79 54.25 1x1r n ASP 41 Cb 0.53 -3.23 0.01 0.00 -0.02 0.00 0.00 41.12 38.40 1x1r n ASP 41 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1x1r s TYR 42 N -3.49 2.56 -0.44 1.24 5.04 -1.26 -4.77 117.35 116.24 1x1r s TYR 42 Ca 0.48 1.24 -0.44 0.00 -2.44 0.00 0.00 57.07 55.91 1x1r s TYR 42 Cb -0.26 -3.94 -0.18 0.00 0.35 0.00 0.00 41.96 37.93 1x1r s TYR 42 CO 0.88 -2.86 1.77 -3.47 -1.34 0.00 0.00 175.55 170.53 1x1r n ASP 43 N 0.16 1.49 0.30 4.32 -0.08 -1.26 -4.78 116.55 116.69 1x1r n ASP 43 Ca 0.03 1.03 0.16 0.00 -1.51 0.00 0.00 54.79 54.49 1x1r n ASP 43 Cb 0.41 -0.97 0.93 0.00 2.34 0.00 0.00 41.12 43.83 1x1r n ASP 43 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1x1r h PRO 44 N 6.69 0.00 -0.02 -0.67 0.11 -2.03 -2.99 132.00 133.10 1x1r h PRO 44 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1x1r h PRO 44 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1x1r h PRO 44 CO 1.00 0.01 -0.19 0.25 -0.21 0.00 0.00 178.00 178.86 1x1r n THR 45 N -3.74 0.00 -2.80 -1.15 -2.24 -1.26 -4.12 114.28 98.96 1x1r n THR 45 Ca -0.03 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 1x1r n THR 45 Cb 0.10 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 1x1r n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1x1r s ILE 46 N -1.66 4.83 -0.29 2.28 1.01 -1.13 -4.35 121.20 121.90 1x1r s ILE 46 Ca 0.16 1.80 -0.07 0.00 0.00 0.00 0.00 60.65 62.54 1x1r s ILE 46 Cb 0.13 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1x1r s ILE 46 CO 0.32 0.01 0.09 -0.70 0.00 0.00 0.00 174.94 174.65 1x1r s GLU 47 N 2.17 3.25 0.02 2.79 2.12 -1.26 -4.63 118.70 123.15 1x1r s GLU 47 Ca 0.42 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 55.04 1x1r s GLU 47 Cb -0.17 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1x1r s GLU 47 CO 0.14 -0.38 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.86 1x1r s ASP 48 N 1.54 4.36 0.21 -1.70 -0.00 -1.22 -5.00 116.67 114.86 1x1r s ASP 48 Ca 0.04 -0.23 0.08 0.00 -0.00 0.00 0.00 52.55 52.44 1x1r s ASP 48 Cb -0.17 -0.93 -0.04 0.00 -0.00 0.00 0.00 42.92 41.78 1x1r s ASP 48 CO 0.03 0.27 0.00 -0.94 -0.00 0.00 0.00 175.17 174.54 1x1r s SER 49 N -1.42 4.70 -0.01 0.27 1.04 -1.26 -1.15 113.70 115.86 1x1r s SER 49 Ca 0.16 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.11 1x1r s SER 49 Cb -0.11 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1x1r s SER 49 CO 0.07 0.05 -0.04 -0.31 0.98 0.00 0.00 173.24 173.99 1x1r s TYR 50 N -1.97 0.41 -0.04 5.02 1.51 -0.15 -4.98 117.35 117.14 1x1r s TYR 50 Ca 0.29 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1x1r s TYR 50 Cb -0.08 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1x1r s TYR 50 CO 0.19 -0.05 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.38 1x1r s LEU 51 N 0.19 1.30 -0.07 -1.29 1.98 -1.26 -0.40 118.68 119.14 1x1r s LEU 51 Ca -0.02 -0.11 -0.23 0.00 -2.89 0.00 0.00 54.13 50.88 1x1r s LEU 51 Cb -0.05 -0.41 0.05 0.00 0.66 0.00 0.00 46.19 46.43 1x1r s LEU 51 CO -0.00 -0.06 0.52 -1.59 -1.89 0.00 0.00 176.35 173.32 1x1r s LYS 52 N 0.94 0.83 0.19 1.98 -2.85 -0.67 -4.99 119.74 115.17 1x1r s LYS 52 Ca -0.11 0.19 -0.30 0.00 -1.00 0.00 0.00 55.97 54.75 1x1r s LYS 52 Cb -0.14 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 35.94 1x1r s LYS 52 CO -0.00 -0.23 1.05 -1.01 0.10 0.00 0.00 175.35 175.26 1x1r s HIS 53 N -0.95 3.70 0.11 1.78 3.76 -1.26 -0.43 115.29 122.00 1x1r s HIS 53 Ca -0.10 1.70 -0.18 0.00 -0.15 0.00 0.00 55.06 56.34 1x1r s HIS 53 Cb -0.03 -3.19 0.04 0.00 1.11 0.00 0.00 32.58 30.52 1x1r s HIS 53 CO 0.06 -0.28 0.44 -0.08 -0.85 0.00 0.00 174.74 174.03 1x1r s THR 54 N -0.51 0.05 -0.20 1.30 -1.32 0.02 -4.96 115.64 110.02 1x1r s THR 54 Ca 0.47 -0.45 -0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1x1r s THR 54 Cb -0.28 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1x1r s THR 54 CO 0.35 -0.25 0.02 -0.70 -2.21 0.00 0.00 174.62 171.83 1x1r s GLU 55 N -3.53 3.71 -0.12 7.08 2.12 -1.26 -1.16 118.70 125.55 1x1r s GLU 55 Ca 0.01 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.88 1x1r s GLU 55 Cb 0.01 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.29 1x1r s GLU 55 CO -0.10 0.07 -0.13 0.42 -0.54 0.00 0.00 175.26 174.98 1x1r s ILE 56 N 0.86 1.40 -1.47 -3.70 1.01 -0.45 -4.73 121.20 114.12 1x1r s ILE 56 Ca 0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1x1r s ILE 56 Cb -0.14 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.06 1x1r s ILE 56 CO 0.02 0.42 0.58 0.47 0.00 0.00 0.00 174.94 176.43 1x1r n ASP 57 N 4.47 -1.45 -2.05 3.58 8.00 -1.26 -1.97 116.55 125.88 1x1r n ASP 57 Ca -0.18 -0.96 -0.20 0.00 0.71 0.00 0.00 54.79 54.17 1x1r n ASP 57 Cb 0.51 -3.19 -0.03 0.00 -0.02 0.00 0.00 41.12 38.39 1x1r n ASP 57 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x1r n ASN 58 N -2.91 -5.55 -3.86 -2.24 3.02 -1.26 -4.98 115.26 97.49 1x1r n ASN 58 Ca -0.20 0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.24 1x1r n ASN 58 Cb 0.63 -4.63 -0.17 0.00 -0.61 0.00 0.00 39.78 35.00 1x1r n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x1r s GLN 59 N -4.65 0.85 0.34 3.52 -0.21 -0.83 -5.14 119.66 113.54 1x1r s GLN 59 Ca 0.00 -0.05 -0.25 0.00 0.02 0.00 0.00 55.36 55.07 1x1r s GLN 59 Cb 0.00 -0.98 -0.10 0.00 1.00 0.00 0.00 33.01 32.94 1x1r s GLN 59 CO 0.00 -0.17 0.97 -1.58 -2.12 0.00 0.00 175.29 172.39 1x1r s TRP 60 N 1.36 3.58 0.16 0.91 0.52 -1.26 -1.34 118.94 122.87 1x1r s TRP 60 Ca -0.04 1.74 -0.12 0.00 0.02 0.00 0.00 56.10 57.70 1x1r s TRP 60 Cb -0.13 -2.97 0.01 0.00 -1.15 0.00 0.00 33.47 29.22 1x1r s TRP 60 CO -0.03 -0.00 0.36 0.00 0.02 0.00 0.00 176.95 177.30 1x1r s ALA 61 N -1.64 -0.44 -0.21 0.98 0.00 -0.31 -4.50 121.76 115.64 1x1r s ALA 61 Ca 0.52 -0.54 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 1x1r s ALA 61 Cb -0.19 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1x1r s ALA 61 CO 0.24 -0.68 0.10 0.42 0.00 0.00 0.00 175.76 175.85 1x1r s ILE 62 N -3.90 5.03 -0.20 0.00 1.01 -0.05 -0.80 121.20 122.29 1x1r s ILE 62 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1x1r s ILE 62 Cb 0.02 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1x1r s ILE 62 CO -0.04 0.42 0.10 -0.76 0.00 0.00 0.00 174.94 174.66 1x1r s LEU 63 N 0.65 3.94 -0.30 2.97 1.43 0.42 -0.34 118.68 127.46 1x1r s LEU 63 Ca 0.05 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1x1r s LEU 63 Cb -0.13 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.16 1x1r s LEU 63 CO 0.01 0.14 -0.02 -0.62 0.23 0.00 0.00 176.35 176.09 1x1r s ASP 64 N 0.60 4.61 -0.14 2.29 -1.08 -0.44 -1.67 116.67 120.84 1x1r s ASP 64 Ca 0.05 -1.82 0.01 0.00 -0.52 0.00 0.00 52.55 50.27 1x1r s ASP 64 Cb -0.12 -1.58 -0.01 0.00 -1.46 0.00 0.00 42.92 39.75 1x1r s ASP 64 CO 0.01 -0.30 -0.16 -0.69 0.52 0.00 0.00 175.17 174.55 1x1r s VAL 65 N 1.00 2.71 -0.25 1.11 1.01 0.47 -0.54 120.40 125.91 1x1r s VAL 65 Ca 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x1r s VAL 65 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1x1r s VAL 65 CO -0.07 0.53 0.13 -0.22 0.00 0.00 0.00 175.10 175.46 1x1r s LEU 66 N 0.55 3.77 -0.71 3.92 2.96 -0.25 -0.98 118.68 127.93 1x1r s LEU 66 Ca -0.10 -0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 1x1r s LEU 66 Cb -0.16 -2.02 0.11 0.00 0.50 0.00 0.00 46.19 44.61 1x1r s LEU 66 CO 0.04 -0.01 0.90 -0.62 -1.32 0.00 0.00 176.35 175.33 1x1r s ASP 67 N 1.51 6.32 0.46 3.68 2.15 -0.30 -1.07 116.67 129.42 1x1r s ASP 67 Ca 0.06 -1.51 -0.23 0.00 0.43 0.00 0.00 52.55 51.30 1x1r s ASP 67 Cb -0.15 -2.36 -0.07 0.00 -0.30 0.00 0.00 42.92 40.04 1x1r s ASP 67 CO 0.06 -1.18 1.21 0.42 -0.17 0.00 0.00 175.17 175.51 1x1r s THR 68 N 3.00 2.91 -0.09 1.71 -4.23 -1.04 -3.40 115.64 114.50 1x1r s THR 68 Ca 0.21 0.70 -0.26 0.00 -1.18 0.00 0.00 61.69 61.16 1x1r s THR 68 Cb -0.16 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.37 1x1r s THR 68 CO 0.03 0.01 0.60 0.00 -0.54 0.00 0.00 174.62 174.72 1x1r s ALA 69 N -1.47 -1.55 0.00 3.99 0.00 -1.26 -4.90 121.76 116.57 1x1r s ALA 69 Ca 0.64 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1x1r s ALA 69 Cb -0.31 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1x1r s ALA 69 CO 0.38 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1x1r n GLY 70 N 1.44 -0.46 3.75 0.00 0.00 -1.26 -4.65 105.19 104.01 1x1r n GLY 70 Ca -0.18 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 1x1r n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1r s GLN 71 N 0.00 4.66 0.42 1.61 1.11 -1.26 -4.95 119.66 121.25 1x1r s GLN 71 Ca 0.00 1.31 0.11 0.00 0.01 0.00 0.00 55.36 56.79 1x1r s GLN 71 Cb 0.00 -3.33 0.97 0.00 -1.01 0.00 0.00 33.01 29.64 1x1r s GLN 71 CO 0.00 0.36 2.01 1.05 0.01 0.00 0.00 175.29 178.72 1x1r h GLU 72 N 5.07 0.45 0.00 2.91 4.11 -1.96 -1.70 114.58 123.46 1x1r h GLU 72 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1x1r h GLU 72 Cb 1.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1x1r h GLU 72 CO 0.70 0.30 0.00 -0.85 0.07 0.00 0.00 179.01 179.22 1x1r n GLU 73 N -4.47 0.07 -0.12 1.06 0.00 -1.26 -1.99 120.64 113.92 1x1r n GLU 73 Ca 0.08 0.15 0.06 0.00 0.00 0.00 0.00 57.16 57.44 1x1r n GLU 73 Cb 0.27 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.32 1x1r n GLU 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x1r n PHE 74 N -1.45 0.31 -3.78 -1.84 3.72 -0.65 -4.99 117.46 108.78 1x1r n PHE 74 Ca 0.06 -0.33 -0.35 0.00 -0.05 0.00 0.00 57.45 56.78 1x1r n PHE 74 Cb 0.21 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.65 1x1r n PHE 74 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x1r s SER 75 N -0.98 5.98 0.26 4.37 0.15 -0.84 -4.97 113.70 117.66 1x1r s SER 75 Ca 0.20 0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1x1r s SER 75 Cb 0.11 -2.05 0.34 0.00 -1.71 0.00 0.00 66.02 62.71 1x1r s SER 75 CO 0.15 0.13 1.66 0.00 1.20 0.00 0.00 173.24 176.38 1x1r h ALA 76 N 7.01 0.99 0.00 5.45 0.00 -1.94 -3.36 119.26 127.41 1x1r h ALA 76 Ca -0.39 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1x1r h ALA 76 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x1r h ALA 76 CO 0.70 0.61 -1.09 -1.33 0.00 0.00 0.00 179.25 178.15 1x1r n MET 77 N -4.05 1.46 -0.14 0.00 2.81 -1.26 -4.64 117.12 111.30 1x1r n MET 77 Ca -0.01 -0.05 -0.04 0.00 -1.81 0.00 0.00 57.70 55.78 1x1r n MET 77 Cb 0.48 -1.27 0.05 0.00 -0.71 0.00 0.00 33.22 31.77 1x1r n MET 77 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1x1r h ARG 78 N 0.00 0.31 -0.21 0.03 9.65 -1.90 -2.57 114.38 119.70 1x1r h ARG 78 Ca 0.00 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1x1r h ARG 78 Cb 0.49 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1x1r h ARG 78 CO 0.00 0.20 0.11 1.49 2.80 0.00 0.00 179.97 184.57 1x1r h GLU 79 N 0.32 0.22 -0.36 0.20 4.22 -1.84 -0.29 114.58 117.05 1x1r h GLU 79 Ca 0.22 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.49 1x1r h GLU 79 Cb 0.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1x1r h GLU 79 CO -0.23 0.15 -0.36 -0.56 -2.18 0.00 0.00 179.01 175.83 1x1r h GLN 80 N 0.23 0.84 -0.59 1.92 -0.00 -1.84 -1.46 115.11 114.21 1x1r h GLN 80 Ca 0.08 -0.42 -0.06 0.00 -0.00 0.00 0.00 58.65 58.25 1x1r h GLN 80 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.47 1x1r h GLN 80 CO -0.05 1.06 0.13 1.88 -0.00 0.00 0.00 178.83 181.85 1x1r h TYR 81 N 0.70 1.00 -0.55 0.06 -1.99 -1.20 0.25 116.97 115.24 1x1r h TYR 81 Ca 0.06 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.61 1x1r h TYR 81 Cb 0.93 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 1x1r h TYR 81 CO 0.05 0.86 0.14 0.52 -0.00 0.00 0.00 178.16 179.73 1x1r h MET 82 N 0.86 0.88 -0.19 4.88 2.86 -0.91 0.13 114.93 123.44 1x1r h MET 82 Ca 0.18 -0.21 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 1x1r h MET 82 Cb 0.37 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1x1r h MET 82 CO 0.01 0.82 -0.63 -0.09 1.06 0.00 0.00 176.91 178.07 1x1r h ARG 83 N 0.78 0.76 -0.14 1.72 2.43 -1.10 -3.34 114.38 115.49 1x1r h ARG 83 Ca 0.17 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1x1r h ARG 83 Cb 0.34 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1x1r h ARG 83 CO 0.00 1.19 0.00 0.25 -1.51 0.00 0.00 179.97 179.90 1x1r n THR 84 N -4.04 0.27 -1.73 0.20 -2.24 0.06 -4.87 114.28 101.93 1x1r n THR 84 Ca -0.07 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.70 1x1r n THR 84 Cb 0.67 1.11 0.05 0.00 -2.10 0.00 0.00 70.33 70.06 1x1r n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x1r n GLY 85 N 0.90 0.67 0.08 3.38 0.00 0.45 -4.87 105.19 105.81 1x1r n GLY 85 Ca 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1x1r n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x1r n ASP 86 N -1.10 0.58 -3.52 1.61 8.00 0.90 -4.98 116.55 118.04 1x1r n ASP 86 Ca 0.11 0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 1x1r n ASP 86 Cb 0.45 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.46 1x1r n ASP 86 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1x1r s GLY 87 N -4.41 -0.44 -0.01 0.44 0.00 -1.07 -4.54 107.32 97.29 1x1r s GLY 87 Ca -0.03 1.20 0.05 0.00 0.00 0.00 0.00 44.72 45.94 1x1r s GLY 87 CO 0.83 0.48 -0.15 -1.36 0.00 0.00 0.00 173.10 172.89 1x1r s PHE 88 N -2.71 1.36 -0.26 1.90 0.40 -0.55 -1.36 117.98 116.77 1x1r s PHE 88 Ca 0.03 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1x1r s PHE 88 Cb -0.01 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 1x1r s PHE 88 CO -0.07 -0.03 0.21 -0.51 0.70 0.00 0.00 175.22 175.52 1x1r s LEU 89 N -0.31 4.07 -0.38 -0.37 1.43 -0.45 -1.64 118.68 121.02 1x1r s LEU 89 Ca 0.05 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1x1r s LEU 89 Cb -0.06 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1x1r s LEU 89 CO -0.00 -0.02 0.23 -0.63 0.23 0.00 0.00 176.35 176.16 1x1r s ILE 90 N 1.50 4.83 -0.13 -0.59 1.01 -0.43 -0.92 121.20 126.46 1x1r s ILE 90 Ca 0.09 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1x1r s ILE 90 Cb -0.15 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1x1r s ILE 90 CO 0.08 -0.21 0.04 -0.69 0.00 0.00 0.00 174.94 174.16 1x1r s VAL 91 N 1.61 4.66 0.25 2.92 1.01 0.10 -0.84 120.40 130.11 1x1r s VAL 91 Ca 0.03 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1x1r s VAL 91 Cb -0.19 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1x1r s VAL 91 CO 0.08 0.55 -0.05 -0.72 0.00 0.00 0.00 175.10 174.96 1x1r s TYR 92 N -0.34 1.76 -0.18 5.22 1.13 -0.34 -4.17 117.35 120.43 1x1r s TYR 92 Ca 0.08 -0.77 -0.09 0.00 -1.41 0.00 0.00 57.07 54.88 1x1r s TYR 92 Cb -0.12 -1.00 -0.05 0.00 -1.10 0.00 0.00 41.96 39.70 1x1r s TYR 92 CO 0.02 0.16 0.11 0.45 -2.51 0.00 0.00 175.55 173.78 1x1r s SER 93 N -3.37 6.06 0.05 -0.18 0.15 -1.26 -0.71 113.70 114.43 1x1r s SER 93 Ca 0.28 0.23 0.12 0.00 0.70 0.00 0.00 55.95 57.27 1x1r s SER 93 Cb 0.04 -2.04 0.51 0.00 -1.71 0.00 0.00 66.02 62.83 1x1r s SER 93 CO 0.10 0.22 1.37 1.33 1.20 0.00 0.00 173.24 177.46 1x1r n VAL 94 N 3.25 1.27 1.14 4.45 0.24 -0.40 -1.39 118.33 126.88 1x1r n VAL 94 Ca -0.17 0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.60 1x1r n VAL 94 Cb 0.53 -1.20 0.25 0.00 -1.47 0.00 0.00 33.84 31.95 1x1r n VAL 94 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x1r n THR 95 N -1.62 0.02 -3.79 3.34 -2.24 -1.26 0.05 114.28 108.78 1x1r n THR 95 Ca 0.02 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1x1r n THR 95 Cb 0.12 1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 69.34 1x1r n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x1r s ASP 96 N -1.97 4.08 0.28 3.42 -1.08 -0.49 -4.69 116.67 116.23 1x1r s ASP 96 Ca 0.32 -2.08 -0.03 0.00 -0.52 0.00 0.00 52.55 50.24 1x1r s ASP 96 Cb 0.20 -1.10 0.39 0.00 -1.46 0.00 0.00 42.92 40.96 1x1r s ASP 96 CO 0.31 -0.36 1.95 0.50 0.52 0.00 0.00 175.17 178.09 1x1r h LYS 97 N 7.54 1.17 -0.97 4.34 1.63 -1.86 -1.76 116.57 126.66 1x1r h LYS 97 Ca -0.08 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 59.69 1x1r h LYS 97 Cb 0.99 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 32.29 1x1r h LYS 97 CO 0.49 0.77 0.63 0.00 -3.45 0.00 0.00 179.45 177.89 1x1r h ALA 98 N 1.45 1.28 -0.27 5.00 0.00 -1.94 -0.81 119.26 123.97 1x1r h ALA 98 Ca 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1x1r h ALA 98 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1x1r h ALA 98 CO -0.08 0.50 0.01 0.66 0.00 0.00 0.00 179.25 180.34 1x1r h SER 99 N 1.21 0.37 -0.03 0.00 4.64 -1.65 -0.32 113.55 117.77 1x1r h SER 99 Ca 0.39 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 1x1r h SER 99 Cb 0.02 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1x1r h SER 99 CO -0.13 0.42 -0.01 0.15 -0.87 0.00 0.00 176.83 176.39 1x1r h PHE 100 N 0.39 0.07 -0.96 4.77 3.57 -1.16 -3.05 116.94 120.57 1x1r h PHE 100 Ca 0.09 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1x1r h PHE 100 Cb 0.24 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 1x1r h PHE 100 CO 0.01 0.47 0.59 0.93 -2.23 0.00 0.00 178.31 178.08 1x1r h GLU 101 N -0.35 0.93 0.00 1.11 5.08 -0.73 -1.65 114.58 118.96 1x1r h GLU 101 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1x1r h GLU 101 Cb 0.45 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1x1r h GLU 101 CO 0.00 0.61 0.00 0.72 -1.00 0.00 0.00 179.01 179.35 1x1r n HIS 102 N -4.64 0.00 -0.33 4.33 8.25 -0.17 -2.56 115.22 120.10 1x1r n HIS 102 Ca 0.17 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.79 1x1r n HIS 102 Cb 0.32 -0.42 0.38 0.00 1.12 0.00 0.00 29.99 31.40 1x1r n HIS 102 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1x1r h VAL 103 N 0.00 0.68 -0.60 1.59 2.07 -1.19 -0.79 116.25 118.01 1x1r h VAL 103 Ca 0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1x1r h VAL 103 Cb 0.30 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1x1r h VAL 103 CO 0.00 0.12 0.30 -0.78 0.02 0.00 0.00 177.57 177.23 1x1r h ASP 104 N 0.65 0.75 -0.40 0.57 3.58 -1.70 0.11 116.42 119.98 1x1r h ASP 104 Ca 0.56 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 1x1r h ASP 104 Cb 1.02 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1x1r h ASP 104 CO -0.33 0.62 0.21 0.03 -2.88 0.00 0.00 179.24 176.90 1x1r h ARG 105 N 0.84 0.56 -0.48 0.28 3.08 -1.36 -1.00 114.38 116.29 1x1r h ARG 105 Ca 0.21 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 1x1r h ARG 105 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1x1r h ARG 105 CO -0.03 0.47 -0.19 0.74 -1.07 0.00 0.00 179.97 179.89 1x1r h PHE 106 N 0.51 1.10 -0.26 3.04 -1.00 -1.08 -0.37 116.94 118.87 1x1r h PHE 106 Ca 0.14 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 1x1r h PHE 106 Cb 0.07 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 1x1r h PHE 106 CO -0.02 1.06 0.16 1.25 -1.61 0.00 0.00 178.31 179.15 1x1r h HIS 107 N 0.84 0.35 -0.64 -0.55 2.76 -0.63 -0.91 115.15 116.36 1x1r h HIS 107 Ca 0.12 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1x1r h HIS 107 Cb 0.75 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 1x1r h HIS 107 CO 0.05 0.26 0.28 1.96 -1.30 0.00 0.00 177.93 179.17 1x1r h GLN 108 N 0.33 0.94 -0.46 5.26 4.20 -1.06 -2.36 115.11 121.97 1x1r h GLN 108 Ca 0.09 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1x1r h GLN 108 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1x1r h GLN 108 CO -0.02 0.78 0.29 1.25 -0.67 0.00 0.00 178.83 180.46 1x1r h LEU 109 N 0.89 0.54 -0.36 1.46 5.85 -0.74 -0.89 115.31 122.07 1x1r h LEU 109 Ca 0.22 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1x1r h LEU 109 Cb 0.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1x1r h LEU 109 CO -0.02 0.42 0.17 0.40 -0.34 0.00 0.00 178.44 179.06 1x1r h ILE 110 N 0.61 1.17 -0.15 4.05 2.04 -1.04 -0.24 117.51 123.95 1x1r h ILE 110 Ca 0.17 -0.49 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1x1r h ILE 110 Cb -0.03 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1x1r h ILE 110 CO -0.03 0.18 -0.32 -0.07 0.00 0.00 0.00 178.15 177.90 1x1r h LEU 111 N 0.44 0.30 -0.08 1.44 3.38 -1.25 0.15 115.31 119.68 1x1r h LEU 111 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1x1r h LEU 111 Cb 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x1r h LEU 111 CO -0.01 0.61 -0.00 -0.09 0.09 0.00 0.00 178.44 179.03 1x1r h ARG 112 N 0.25 0.14 -0.41 1.13 2.43 -0.86 0.15 114.38 117.23 1x1r h ARG 112 Ca 0.03 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1x1r h ARG 112 Cb 0.70 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1x1r h ARG 112 CO 0.05 0.42 -0.16 0.28 -1.51 0.00 0.00 179.97 179.05 1x1r h VAL 113 N -0.15 1.28 0.00 0.20 2.07 -0.87 -2.72 116.25 116.06 1x1r h VAL 113 Ca 0.02 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1x1r h VAL 113 Cb 0.36 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1x1r h VAL 113 CO 0.00 0.43 0.00 0.11 0.02 0.00 0.00 177.57 178.14 1x1r h LYS 114 N 0.65 0.00 -5.80 1.57 1.79 -1.03 -3.48 116.57 110.27 1x1r h LYS 114 Ca 0.10 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.20 1x1r h LYS 114 Cb 0.71 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 31.49 1x1r h LYS 114 CO 0.05 0.00 -0.76 -3.47 -1.08 0.00 0.00 179.45 174.19 1x1r n ASP 115 N -2.49 -3.03 -4.11 0.86 2.03 0.51 -5.00 116.55 105.32 1x1r n ASP 115 Ca 0.05 -0.64 -0.08 0.00 0.52 0.00 0.00 54.79 54.64 1x1r n ASP 115 Cb 0.43 -4.88 -0.10 0.00 -0.72 0.00 0.00 41.12 35.85 1x1r n ASP 115 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x1r s ARG 116 N -5.74 0.66 0.33 -0.67 1.81 -1.04 -5.05 118.95 109.25 1x1r s ARG 116 Ca 0.17 -1.25 0.18 0.00 -1.72 0.00 0.00 55.73 53.11 1x1r s ARG 116 Cb -0.08 0.15 0.16 0.00 -0.45 0.00 0.00 34.95 34.73 1x1r s ARG 116 CO 0.75 -0.11 1.48 0.93 -0.68 0.00 0.00 175.30 177.67 1x1r h GLU 117 N 3.11 0.00 -3.66 3.54 4.39 -1.95 -3.44 114.58 116.57 1x1r h GLU 117 Ca -0.34 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.28 1x1r h GLU 117 Cb 1.15 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.67 1x1r h GLU 117 CO 0.65 0.31 -0.24 -1.54 -1.16 0.00 0.00 179.01 177.03 1x1r s SER 118 N -6.34 -0.03 -0.17 1.42 1.04 -1.26 -5.07 113.70 103.30 1x1r s SER 118 Ca 0.05 -0.57 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 1x1r s SER 118 Cb 0.07 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1x1r s SER 118 CO 0.72 -0.81 0.72 0.12 0.98 0.00 0.00 173.24 174.97 1x1r s PHE 119 N -3.86 -0.71 -0.16 5.02 2.19 -1.26 -5.07 117.98 114.14 1x1r s PHE 119 Ca 0.06 1.50 -0.37 0.00 0.33 0.00 0.00 56.93 58.46 1x1r s PHE 119 Cb 0.03 0.34 -0.14 0.00 -1.31 0.00 0.00 43.02 41.95 1x1r s PHE 119 CO -0.09 -0.48 1.79 -2.30 1.83 0.00 0.00 175.22 175.98 1x1r n PRO 120 N 1.81 1.69 -3.52 10.12 -0.02 -1.26 -4.94 135.00 138.88 1x1r n PRO 120 Ca -0.16 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 1x1r n PRO 120 Cb 0.56 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1x1r n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x1r s MET 121 N 3.62 1.10 -0.02 -0.52 0.23 -1.26 -1.48 119.30 120.97 1x1r s MET 121 Ca 0.95 -0.07 0.04 0.00 -1.03 0.00 0.00 55.69 55.58 1x1r s MET 121 Cb -0.87 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 32.93 1x1r s MET 121 CO 0.57 -0.39 -0.15 0.42 -2.03 0.00 0.00 175.02 173.44 1x1r s ILE 122 N -2.17 1.20 -0.25 3.16 1.01 -0.65 -4.26 121.20 119.23 1x1r s ILE 122 Ca -0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 1x1r s ILE 122 Cb -0.01 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1x1r s ILE 122 CO 0.01 0.34 0.65 -0.22 0.00 0.00 0.00 174.94 175.72 1x1r s LEU 123 N -0.24 4.07 -0.25 2.97 2.96 -0.45 -1.31 118.68 126.42 1x1r s LEU 123 Ca 0.03 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1x1r s LEU 123 Cb -0.07 -2.89 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1x1r s LEU 123 CO -0.00 -0.38 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.91 1x1r s VAL 124 N 2.50 2.94 -0.54 1.68 1.01 -0.02 -1.31 120.40 126.66 1x1r s VAL 124 Ca 0.27 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1x1r s VAL 124 Cb -0.15 -2.49 0.10 0.00 0.00 0.00 0.00 36.38 33.84 1x1r s VAL 124 CO 0.08 0.20 0.57 0.00 0.00 0.00 0.00 175.10 175.95 1x1r s ALA 125 N 1.34 3.52 0.37 5.51 0.00 -0.06 -1.20 121.76 131.25 1x1r s ALA 125 Ca 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 51.96 49.71 1x1r s ALA 125 Cb -0.17 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1x1r s ALA 125 CO -0.04 -2.08 0.56 1.21 0.00 0.00 0.00 175.76 175.41 1x1r s ASN 126 N 3.34 6.07 -0.32 0.00 2.47 0.11 -0.79 114.94 125.82 1x1r s ASN 126 Ca 0.07 0.23 -0.00 0.00 0.42 0.00 0.00 52.86 53.59 1x1r s ASN 126 Cb -0.26 -1.68 0.00 0.00 -1.45 0.00 0.00 41.25 37.86 1x1r s ASN 126 CO 0.06 -0.45 0.02 0.29 -3.72 0.00 0.00 177.10 173.30 1x1r n LYS 127 N -1.83 -0.39 0.00 0.43 5.02 -0.59 -1.28 118.16 119.52 1x1r n LYS 127 Ca -0.02 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1x1r n LYS 127 Cb 0.57 -3.83 0.54 0.00 -0.02 0.00 0.00 35.03 32.30 1x1r n LYS 127 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1x1r n VAL 128 N -3.92 0.29 0.30 -0.18 0.24 -0.91 -1.55 118.33 112.60 1x1r n VAL 128 Ca -0.04 0.07 0.17 0.00 -2.04 0.00 0.00 64.34 62.50 1x1r n VAL 128 Cb 0.53 -0.73 0.78 0.00 -1.47 0.00 0.00 33.84 32.95 1x1r n VAL 128 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1x1r h ASP 129 N 0.00 0.00 -3.39 -1.34 2.03 -1.93 -3.42 116.42 108.37 1x1r h ASP 129 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 1x1r h ASP 129 Cb 0.15 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.57 1x1r h ASP 129 CO 0.00 0.00 0.02 -0.76 -1.03 0.00 0.00 179.24 177.47 1x1r s LEU 130 N -5.74 4.22 -0.09 0.15 1.43 -0.59 -4.97 118.68 113.09 1x1r s LEU 130 Ca -0.00 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1x1r s LEU 130 Cb 0.10 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1x1r s LEU 130 CO 0.46 -0.15 -0.21 0.23 0.23 0.00 0.00 176.35 176.90 1x1r n MET 131 N 4.37 0.32 -0.35 1.70 2.81 -1.26 -4.29 117.12 120.43 1x1r n MET 131 Ca -0.03 0.13 0.07 0.00 -1.81 0.00 0.00 57.70 56.05 1x1r n MET 131 Cb 0.51 -1.04 0.25 0.00 -0.71 0.00 0.00 33.22 32.22 1x1r n MET 131 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1x1r h HIS 132 N -0.61 1.11 -0.01 2.03 -0.00 -2.00 -2.03 115.15 113.64 1x1r h HIS 132 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1x1r h HIS 132 Cb 0.61 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1x1r h HIS 132 CO -0.26 0.47 -0.13 1.28 -0.00 0.00 0.00 177.93 179.29 1x1r n LEU 133 N -4.58 0.65 -4.70 0.26 4.77 -1.26 -4.89 117.00 107.24 1x1r n LEU 133 Ca 0.18 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1x1r n LEU 133 Cb 0.33 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1x1r n LEU 133 CO 0.29 0.12 1.18 -0.60 -1.33 0.00 0.00 177.39 177.05 1x1r s ARG 134 N -2.42 4.26 -0.00 3.23 3.52 -0.77 -4.37 118.95 122.39 1x1r s ARG 134 Ca 0.29 2.19 0.03 0.00 -0.13 0.00 0.00 55.73 58.12 1x1r s ARG 134 Cb 0.20 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1x1r s ARG 134 CO 0.47 -0.58 0.09 1.63 -0.81 0.00 0.00 175.30 176.10 1x1r n LYS 135 N 4.63 2.85 -4.14 5.12 4.76 0.11 -4.96 118.16 126.53 1x1r n LYS 135 Ca 0.13 -0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.22 1x1r n LYS 135 Cb 0.41 -0.87 -0.15 0.00 -1.84 0.00 0.00 35.03 32.58 1x1r n LYS 135 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1x1r s VAL 136 N -1.77 2.75 0.71 -0.18 1.01 -0.76 -4.93 120.40 117.23 1x1r s VAL 136 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1x1r s VAL 136 Cb 0.02 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1x1r s VAL 136 CO 0.12 0.49 1.09 0.42 0.00 0.00 0.00 175.10 177.22 1x1r s THR 137 N 1.23 3.55 0.20 3.92 -4.23 -1.26 -4.90 115.64 114.16 1x1r s THR 137 Ca 0.03 0.50 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 1x1r s THR 137 Cb -0.14 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.37 1x1r s THR 137 CO -0.06 -0.66 1.79 -0.09 -0.54 0.00 0.00 174.62 175.07 1x1r h ARG 138 N -0.70 0.57 -0.37 3.99 1.12 -1.99 -2.11 114.38 114.88 1x1r h ARG 138 Ca -0.45 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.32 1x1r h ARG 138 Cb 1.25 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 31.06 1x1r h ARG 138 CO 0.63 0.38 -0.02 -0.44 -3.11 0.00 0.00 179.97 177.40 1x1r h ASP 139 N 0.59 0.57 -0.63 -3.80 3.45 -1.99 0.12 116.42 114.74 1x1r h ASP 139 Ca 0.27 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 1x1r h ASP 139 Cb 0.18 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.77 1x1r h ASP 139 CO -0.18 0.66 0.28 1.56 -1.57 0.00 0.00 179.24 179.99 1x1r h GLN 140 N 0.57 0.92 -0.19 3.56 4.20 -1.80 -0.63 115.11 121.74 1x1r h GLN 140 Ca 0.12 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1x1r h GLN 140 Cb 0.40 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1x1r h GLN 140 CO 0.02 0.75 0.08 0.78 -0.67 0.00 0.00 178.83 179.79 1x1r h GLY 141 N 0.87 0.31 1.40 3.46 0.00 -0.79 -2.32 103.07 106.00 1x1r h GLY 141 Ca 0.21 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1x1r h GLY 141 CO -0.02 0.16 -0.17 1.70 0.00 0.00 0.00 176.54 178.20 1x1r h LYS 142 N 0.16 0.71 -0.63 4.80 1.63 -0.82 -1.45 116.57 120.97 1x1r h LYS 142 Ca 0.06 -0.26 -0.09 0.00 -0.85 0.00 0.00 60.65 59.52 1x1r h LYS 142 Cb 0.18 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1x1r h LYS 142 CO -0.01 0.84 0.03 1.49 -3.45 0.00 0.00 179.45 178.35 1x1r h GLU 143 N 0.63 1.09 -0.43 1.90 4.81 -1.09 -0.10 114.58 121.40 1x1r h GLU 143 Ca 0.10 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1x1r h GLU 143 Cb 0.65 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1x1r h GLU 143 CO 0.05 1.04 0.27 1.98 -0.73 0.00 0.00 179.01 181.62 1x1r h MET 144 N 1.00 0.57 -0.90 1.92 4.05 -1.11 -0.06 114.93 120.38 1x1r h MET 144 Ca 0.18 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 1x1r h MET 144 Cb 0.53 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 1x1r h MET 144 CO 0.03 0.41 0.54 0.00 0.23 0.00 0.00 176.91 178.11 1x1r h ALA 145 N 1.13 1.15 -0.52 0.39 0.00 -1.02 -1.90 119.26 118.49 1x1r h ALA 145 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1x1r h ALA 145 Cb -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1x1r h ALA 145 CO -0.03 0.62 0.25 1.15 0.00 0.00 0.00 179.25 181.23 1x1r h THR 146 N 1.25 1.20 -0.54 0.00 2.02 -0.62 0.11 112.91 116.33 1x1r h THR 146 Ca 0.32 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 67.00 1x1r h THR 146 Cb -0.04 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1x1r h THR 146 CO -0.06 0.22 0.24 0.50 0.37 0.00 0.00 175.52 176.79 1x1r h LYS 147 N 0.70 0.43 -0.00 6.66 3.64 -0.56 -1.42 116.57 126.03 1x1r h LYS 147 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1x1r h LYS 147 Cb 0.13 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1x1r h LYS 147 CO -0.02 0.29 -0.03 0.66 -2.27 0.00 0.00 179.45 178.07 1x1r n TYR 148 N -4.94 0.00 -3.52 1.91 4.01 -0.75 -4.93 117.16 108.93 1x1r n TYR 148 Ca 0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 1x1r n TYR 148 Cb 0.19 -0.37 0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1x1r n TYR 148 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1x1r n ASN 149 N -1.36 -4.32 -4.28 7.72 5.15 0.26 -5.03 115.26 113.41 1x1r n ASN 149 Ca 0.11 -0.58 -0.16 0.00 -0.60 0.00 0.00 54.58 53.34 1x1r n ASN 149 Cb 0.29 -5.07 -0.10 0.00 -0.53 0.00 0.00 39.78 34.37 1x1r n ASN 149 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1x1r s ILE 150 N -3.34 1.40 0.66 -1.44 -4.36 -0.48 -5.03 121.20 108.61 1x1r s ILE 150 Ca 0.31 -2.04 -0.16 0.00 -0.26 0.00 0.00 60.65 58.49 1x1r s ILE 150 Cb -0.14 -1.85 0.00 0.00 1.25 0.00 0.00 42.46 41.72 1x1r s ILE 150 CO 0.73 -0.63 1.17 -2.84 0.24 0.00 0.00 174.94 173.61 1x1r s PRO 151 N -3.49 2.64 -0.09 0.37 0.02 -1.26 -4.37 135.00 128.82 1x1r s PRO 151 Ca 0.17 1.63 0.05 0.00 0.02 0.00 0.00 61.00 62.87 1x1r s PRO 151 Cb -0.00 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.61 1x1r s PRO 151 CO 0.03 -1.42 -0.24 -0.47 -0.33 0.00 0.00 177.00 174.57 1x1r s TYR 152 N -2.01 2.49 -0.02 6.54 5.04 -1.26 -1.34 117.35 126.79 1x1r s TYR 152 Ca 0.72 -0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 54.40 1x1r s TYR 152 Cb -0.26 -1.66 0.00 0.00 0.35 0.00 0.00 41.96 40.40 1x1r s TYR 152 CO 0.40 -0.35 0.04 -1.50 -1.34 0.00 0.00 175.55 172.80 1x1r s ILE 153 N 0.19 0.00 -0.14 3.14 2.07 -0.43 -4.99 121.20 121.05 1x1r s ILE 153 Ca -0.14 -0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 58.98 1x1r s ILE 153 Cb -0.17 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1x1r s ILE 153 CO 0.07 -0.02 0.14 -1.61 -1.91 0.00 0.00 174.94 171.61 1x1r s GLU 154 N -0.04 3.61 0.14 3.50 2.02 -1.26 -0.88 118.70 125.78 1x1r s GLU 154 Ca -0.01 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.85 1x1r s GLU 154 Cb -0.01 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1x1r s GLU 154 CO 0.00 0.67 -0.04 0.95 0.02 0.00 0.00 175.26 176.86 1x1r s THR 155 N -0.72 0.79 -0.07 3.63 -4.23 0.02 -4.58 115.64 110.49 1x1r s THR 155 Ca 0.13 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1x1r s THR 155 Cb -0.12 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.84 1x1r s THR 155 CO 0.03 -0.66 0.15 -0.55 -0.54 0.00 0.00 174.62 173.04 1x1r s SER 156 N -3.13 -0.02 0.27 3.99 0.15 -0.91 -1.55 113.70 112.50 1x1r s SER 156 Ca 0.18 0.31 0.24 0.00 0.70 0.00 0.00 55.95 57.38 1x1r s SER 156 Cb 0.05 0.20 0.34 0.00 -1.71 0.00 0.00 66.02 64.90 1x1r s SER 156 CO 0.00 -0.16 1.44 0.00 1.20 0.00 0.00 173.24 175.72 1x1r h ALA 157 N 7.36 0.79 -2.75 5.45 0.00 -1.90 0.10 119.26 128.30 1x1r h ALA 157 Ca -0.40 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.99 1x1r h ALA 157 Cb 1.14 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.01 1x1r h ALA 157 CO 0.39 0.00 0.50 0.21 0.00 0.00 0.00 179.25 180.35 1x1r s LYS 158 N -3.22 3.48 0.25 0.00 2.20 -1.26 -4.50 119.74 116.68 1x1r s LYS 158 Ca 0.06 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.21 1x1r s LYS 158 Cb 0.09 -2.25 -0.09 0.00 -1.51 0.00 0.00 37.83 34.07 1x1r s LYS 158 CO 0.70 -0.80 1.15 -0.51 -0.36 0.00 0.00 175.35 175.53 1x1r s ASP 159 N -1.39 7.16 0.15 1.43 1.01 -1.26 -2.14 116.67 121.64 1x1r s ASP 159 Ca 0.68 2.29 -0.30 0.00 0.71 0.00 0.00 52.55 55.93 1x1r s ASP 159 Cb -0.30 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 40.94 1x1r s ASP 159 CO 0.35 -0.26 0.95 -2.16 0.21 0.00 0.00 175.17 174.27 1x1r s PRO 160 N -1.04 4.75 0.51 8.23 0.04 -1.26 -5.10 135.00 141.13 1x1r s PRO 160 Ca 0.48 1.46 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 1x1r s PRO 160 Cb -0.33 -3.34 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 1x1r s PRO 160 CO 0.40 0.32 1.21 -1.25 0.04 0.00 0.00 177.00 177.73 1x1r s PRO 161 N -0.42 3.47 -0.21 0.56 0.04 -0.91 -4.96 135.00 132.57 1x1r s PRO 161 Ca 0.45 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 1x1r s PRO 161 Cb -0.24 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.03 1x1r s PRO 161 CO 0.30 -0.81 -0.07 -1.17 0.04 0.00 0.00 177.00 175.29 1x1r s LEU 162 N -3.36 2.77 -1.92 -3.56 2.96 0.02 -4.76 118.68 110.83 1x1r s LEU 162 Ca 0.68 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1x1r s LEU 162 Cb -0.31 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.69 1x1r s LEU 162 CO 0.36 -0.00 0.00 0.59 -1.32 0.00 0.00 176.35 175.98 1x1r n ASN 163 N 4.68 -5.35 0.12 3.68 5.03 -1.26 -2.13 115.26 120.01 1x1r n ASN 163 Ca -0.19 0.34 -0.11 0.00 0.87 0.00 0.00 54.58 55.49 1x1r n ASN 163 Cb 0.51 -4.50 -0.07 0.00 -1.02 0.00 0.00 39.78 34.70 1x1r n ASN 163 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1x1r h VAL 164 N 0.00 0.63 -0.84 2.41 2.07 -1.85 -0.85 116.25 117.82 1x1r h VAL 164 Ca -0.41 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.28 1x1r h VAL 164 Cb 1.27 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1x1r h VAL 164 CO 0.56 0.15 0.54 0.44 0.02 0.00 0.00 177.57 179.28 1x1r h ASP 165 N -0.89 0.91 -0.81 0.57 3.45 -1.95 -2.65 116.42 115.06 1x1r h ASP 165 Ca -0.04 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.41 1x1r h ASP 165 Cb 0.51 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 1x1r h ASP 165 CO 0.06 0.63 0.50 0.50 -1.57 0.00 0.00 179.24 179.36 1x1r h LYS 166 N 1.07 1.09 0.12 3.56 3.64 -1.94 -0.66 116.57 123.44 1x1r h LYS 166 Ca 0.33 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1x1r h LYS 166 Cb -0.02 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1x1r h LYS 166 CO -0.10 0.76 -0.06 1.15 -2.27 0.00 0.00 179.45 178.93 1x1r h THR 167 N 1.12 0.92 -0.46 1.00 2.02 -0.79 0.37 112.91 117.10 1x1r h THR 167 Ca 0.29 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1x1r h THR 167 Cb -0.06 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1x1r h THR 167 CO -0.06 0.03 -0.02 -0.26 0.37 0.00 0.00 175.52 175.58 1x1r h PHE 168 N -0.22 0.90 -0.83 3.16 -1.00 -1.36 -1.81 116.94 115.79 1x1r h PHE 168 Ca -0.02 -0.17 -0.04 0.00 2.81 0.00 0.00 57.97 60.56 1x1r h PHE 168 Cb 0.18 -0.23 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 1x1r h PHE 168 CO -0.05 0.88 0.37 0.45 -1.61 0.00 0.00 178.31 178.35 1x1r h HIS 169 N 0.66 1.22 -0.44 -0.55 3.86 -1.05 -2.43 115.15 116.43 1x1r h HIS 169 Ca 0.13 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1x1r h HIS 169 Cb 0.54 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1x1r h HIS 169 CO 0.04 0.90 0.04 -0.44 0.86 0.00 0.00 177.93 179.33 1x1r h ASP 170 N 1.19 0.64 -0.47 2.45 3.45 0.04 -0.21 116.42 123.51 1x1r h ASP 170 Ca 0.28 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.58 1x1r h ASP 170 Cb 0.16 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1x1r h ASP 170 CO -0.03 0.68 0.16 0.25 -1.57 0.00 0.00 179.24 178.73 1x1r h LEU 171 N 0.65 0.67 -0.76 1.55 5.85 -1.00 -0.16 115.31 122.11 1x1r h LEU 171 Ca 0.14 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1x1r h LEU 171 Cb 0.34 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1x1r h LEU 171 CO 0.01 0.68 0.47 0.58 -0.34 0.00 0.00 178.44 179.84 1x1r h VAL 172 N 0.62 1.05 -0.69 1.05 2.07 -1.03 -1.32 116.25 118.01 1x1r h VAL 172 Ca 0.15 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1x1r h VAL 172 Cb 0.24 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1x1r h VAL 172 CO -0.01 0.16 0.45 0.03 0.02 0.00 0.00 177.57 178.23 1x1r h ARG 173 N 0.88 0.90 -0.46 1.57 3.08 -0.61 0.12 114.38 119.85 1x1r h ARG 173 Ca 0.32 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.33 1x1r h ARG 173 Cb 0.11 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1x1r h ARG 173 CO -0.15 0.60 0.29 0.28 -1.07 0.00 0.00 179.97 179.92 1x1r h VAL 174 N 0.93 1.08 -0.57 2.04 2.07 -0.57 -0.44 116.25 120.79 1x1r h VAL 174 Ca 0.25 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1x1r h VAL 174 Cb -0.10 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1x1r h VAL 174 CO -0.06 0.11 0.35 0.40 0.02 0.00 0.00 177.57 178.39 1x1r h ILE 175 N 0.59 1.16 0.00 4.57 2.04 -0.70 -1.76 117.51 123.41 1x1r h ILE 175 Ca 0.18 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1x1r h ILE 175 Cb -0.03 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1x1r h ILE 175 CO -0.06 0.17 -0.26 0.03 0.00 0.00 0.00 178.15 178.03 1x1r h ARG 176 N 0.76 0.00 0.00 2.37 3.08 -0.63 -3.19 114.38 116.77 1x1r h ARG 176 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1x1r h ARG 176 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1x1r h ARG 176 CO -0.04 0.26 -0.89 1.96 -1.07 0.00 0.00 179.97 180.19 1x1r h GLN 177 N 0.00 0.00 0.00 0.04 4.20 -0.46 -3.51 115.11 115.39 1x1r h GLN 177 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x1r h GLN 177 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1x1r h GLN 177 CO 0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.19