#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r9y n LEU 5 N 0.00 3.76 -0.02 0.00 4.77 -1.26 -4.81 117.00 119.44 1r9y n LEU 5 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1r9y n LEU 5 Cb 0.00 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.52 1r9y n LEU 5 CO 0.00 -0.17 -0.66 0.00 -1.33 0.00 0.00 177.39 175.23 1r9y n GLN 6 N 1.96 1.49 -3.72 3.23 6.02 0.82 -4.82 117.38 122.37 1r9y n GLN 6 Ca 0.09 -0.04 -0.14 0.00 -0.01 0.00 0.00 57.00 56.91 1r9y n GLN 6 Cb 0.34 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.34 1r9y n GLN 6 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1r9y s THR 7 N -2.36 0.04 -0.20 5.09 2.01 -1.04 -0.61 115.64 118.56 1r9y s THR 7 Ca -0.03 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1r9y s THR 7 Cb 0.04 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 1r9y s THR 7 CO 0.31 -0.20 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.34 1r9y s ILE 8 N -1.20 3.25 0.32 1.82 -1.09 -0.12 -0.53 121.20 123.67 1r9y s ILE 8 Ca -0.12 -0.54 0.09 0.00 -2.23 0.00 0.00 60.65 57.85 1r9y s ILE 8 Cb -0.04 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 1r9y s ILE 8 CO 0.05 0.45 -0.02 0.27 -1.23 0.00 0.00 174.94 174.46 1r9y s ILE 9 N 1.27 2.72 -1.40 2.92 -4.36 -0.62 -0.47 121.20 121.26 1r9y s ILE 9 Ca 0.03 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1r9y s ILE 9 Cb -0.14 -2.74 0.03 0.00 1.25 0.00 0.00 42.46 40.86 1r9y s ILE 9 CO -0.03 -0.25 0.79 0.59 0.24 0.00 0.00 174.94 176.29 1r9y n ASN 10 N -0.90 -2.55 -4.84 4.36 3.02 -1.17 -1.20 115.26 111.98 1r9y n ASN 10 Ca -0.05 -0.82 -0.37 0.00 -0.03 0.00 0.00 54.58 53.32 1r9y n ASN 10 Cb 0.62 -3.92 -0.06 0.00 -0.61 0.00 0.00 39.78 35.80 1r9y n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r9y s ALA 11 N -3.54 3.78 0.04 5.41 0.00 -0.41 -0.47 121.76 126.57 1r9y s ALA 11 Ca 0.27 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1r9y s ALA 11 Cb -0.13 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1r9y s ALA 11 CO 0.82 0.50 0.23 1.03 0.00 0.00 0.00 175.76 178.34 1r9y s ARG 12 N -0.82 3.48 0.00 0.00 0.52 -0.30 0.35 118.95 122.18 1r9y s ARG 12 Ca 0.18 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 1r9y s ARG 12 Cb -0.14 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1r9y s ARG 12 CO 0.07 0.62 -0.17 -0.51 0.02 0.00 0.00 175.30 175.33 1r9y s LEU 13 N -2.26 2.06 0.34 2.53 1.43 -1.26 -0.74 118.68 120.79 1r9y s LEU 13 Ca 0.33 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1r9y s LEU 13 Cb -0.13 -0.83 -0.12 0.00 0.03 0.00 0.00 46.19 45.15 1r9y s LEU 13 CO 0.23 0.18 1.40 -2.65 0.23 0.00 0.00 176.35 175.74 1r9y n PRO 14 N 2.48 2.38 -0.79 1.29 -0.02 -1.26 -1.84 135.00 137.24 1r9y n PRO 14 Ca -0.15 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1r9y n PRO 14 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1r9y n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r9y n GLY 15 N 0.90 0.43 3.56 -1.23 0.00 -1.26 -4.98 105.19 102.62 1r9y n GLY 15 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1r9y n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r9y s GLU 16 N -0.63 2.05 0.29 1.61 0.41 -0.77 -5.13 118.70 116.53 1r9y s GLU 16 Ca 0.00 -1.19 -0.06 0.00 -0.41 0.00 0.00 54.97 53.31 1r9y s GLU 16 Cb 0.00 -2.20 -0.06 0.00 -1.78 0.00 0.00 34.13 30.10 1r9y s GLU 16 CO 0.00 0.46 0.56 -1.21 -0.49 0.00 0.00 175.26 174.58 1r9y s GLU 17 N -2.58 3.66 2.46 1.61 0.41 -1.26 -4.64 118.70 118.36 1r9y s GLU 17 Ca 0.23 0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 1r9y s GLU 17 Cb -0.10 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1r9y s GLU 17 CO 0.14 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.54 1r9y n GLY 18 N -0.83 -0.23 3.67 -1.39 0.00 -1.26 -4.91 105.19 100.23 1r9y n GLY 18 Ca -0.01 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1r9y n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r9y s LEU 19 N 0.00 3.35 0.07 0.99 1.43 -1.26 -4.56 118.68 118.70 1r9y s LEU 19 Ca 0.00 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1r9y s LEU 19 Cb 0.00 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1r9y s LEU 19 CO 0.00 0.13 -0.08 0.26 0.23 0.00 0.00 176.35 176.89 1r9y s TRP 20 N -1.53 0.84 -0.14 0.29 0.52 0.15 -0.76 118.94 118.32 1r9y s TRP 20 Ca 0.26 -0.67 0.01 0.00 0.02 0.00 0.00 56.10 55.72 1r9y s TRP 20 Cb -0.10 -0.49 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 1r9y s TRP 20 CO 0.18 -0.08 -0.15 -1.14 0.02 0.00 0.00 176.95 175.77 1r9y s GLN 21 N -2.60 3.26 -0.31 4.98 0.74 0.36 -1.29 119.66 124.80 1r9y s GLN 21 Ca 0.01 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 54.63 1r9y s GLN 21 Cb -0.03 -2.59 0.04 0.00 1.10 0.00 0.00 33.01 31.53 1r9y s GLN 21 CO -0.01 0.12 0.06 0.42 -0.55 0.00 0.00 175.29 175.32 1r9y s ILE 22 N 0.56 3.51 0.04 -2.34 1.01 0.38 -1.21 121.20 123.15 1r9y s ILE 22 Ca -0.09 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.20 1r9y s ILE 22 Cb -0.16 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 1r9y s ILE 22 CO 0.04 -0.08 0.72 -1.00 0.00 0.00 0.00 174.94 174.61 1r9y s HIS 23 N 1.37 3.73 -0.01 3.97 3.76 0.39 -0.94 115.29 127.56 1r9y s HIS 23 Ca -0.02 1.40 0.06 0.00 -0.15 0.00 0.00 55.06 56.35 1r9y s HIS 23 Cb -0.19 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 1r9y s HIS 23 CO 0.01 0.31 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.51 1r9y s LEU 24 N -0.14 2.50 -0.24 0.89 1.43 0.22 -0.23 118.68 123.11 1r9y s LEU 24 Ca 0.36 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.99 1r9y s LEU 24 Cb -0.20 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.62 1r9y s LEU 24 CO 0.21 0.31 0.56 -1.58 0.23 0.00 0.00 176.35 176.08 1r9y s GLN 25 N -0.96 0.54 -1.43 1.70 0.74 -0.03 -4.69 119.66 115.54 1r9y s GLN 25 Ca 0.12 1.10 -0.10 0.00 0.05 0.00 0.00 55.36 56.53 1r9y s GLN 25 Cb -0.10 0.21 0.04 0.00 1.10 0.00 0.00 33.01 34.26 1r9y s GLN 25 CO 0.02 -0.17 1.03 -0.25 -0.55 0.00 0.00 175.29 175.37 1r9y n ASP 26 N 4.58 -4.85 0.00 6.67 8.00 -1.26 -1.73 116.55 127.96 1r9y n ASP 26 Ca -0.19 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1r9y n ASP 26 Cb 0.55 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 1r9y n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r9y n GLY 27 N -1.76 0.47 3.48 0.44 0.00 -1.26 -5.00 105.19 101.56 1r9y n GLY 27 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1r9y n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9y s LYS 28 N -0.47 1.68 -0.30 1.61 1.02 -0.70 -0.40 119.74 122.18 1r9y s LYS 28 Ca 0.00 -1.91 -0.22 0.00 0.02 0.00 0.00 55.97 53.86 1r9y s LYS 28 Cb 0.00 -1.10 -0.00 0.00 -0.52 0.00 0.00 37.83 36.20 1r9y s LYS 28 CO 0.00 -0.09 0.72 0.42 -0.92 0.00 0.00 175.35 175.48 1r9y s ILE 29 N -3.10 4.86 -0.04 2.17 1.01 0.08 -0.85 121.20 125.34 1r9y s ILE 29 Ca 0.34 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 62.03 1r9y s ILE 29 Cb 0.07 -4.08 -0.27 0.00 0.01 0.00 0.00 42.46 38.20 1r9y s ILE 29 CO 0.15 -0.18 0.70 0.77 0.00 0.00 0.00 174.94 176.38 1r9y h SER 30 N 8.11 0.39 -4.62 3.58 4.64 -0.90 0.15 113.55 124.90 1r9y h SER 30 Ca -0.25 -0.64 0.06 0.00 -0.47 0.00 0.00 61.79 60.49 1r9y h SER 30 Cb 1.11 -0.13 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 1r9y h SER 30 CO 0.84 1.54 0.42 0.00 -0.87 0.00 0.00 176.83 178.77 1r9y s ALA 31 N -2.60 -1.81 -0.12 5.18 0.00 -1.20 -4.69 121.76 116.53 1r9y s ALA 31 Ca -0.12 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1r9y s ALA 31 Cb 0.07 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1r9y s ALA 31 CO 0.83 -0.56 -0.08 0.42 0.00 0.00 0.00 175.76 176.37 1r9y s ILE 32 N -2.45 1.06 -0.00 0.00 1.01 -1.26 -0.46 121.20 119.10 1r9y s ILE 32 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1r9y s ILE 32 Cb -0.01 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1r9y s ILE 32 CO -0.04 0.35 -0.19 -1.81 0.00 0.00 0.00 174.94 173.24 1r9y s ASP 33 N 1.69 2.28 0.52 3.58 1.01 -0.35 -4.98 116.67 120.42 1r9y s ASP 33 Ca 0.05 -0.39 -0.19 0.00 0.71 0.00 0.00 52.55 52.73 1r9y s ASP 33 Cb -0.13 -0.24 -0.07 0.00 1.01 0.00 0.00 42.92 43.50 1r9y s ASP 33 CO -0.08 0.21 1.05 0.00 0.21 0.00 0.00 175.17 176.56 1r9y s ALA 34 N -0.54 2.82 0.13 5.23 0.00 -1.26 -0.49 121.76 127.65 1r9y s ALA 34 Ca 0.07 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1r9y s ALA 34 Cb -0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1r9y s ALA 34 CO -0.00 -0.48 -0.05 -0.65 0.00 0.00 0.00 175.76 174.58 1r9y s GLN 35 N -3.46 2.29 0.00 0.00 -0.21 0.06 -4.81 119.66 113.53 1r9y s GLN 35 Ca 0.67 -1.03 0.23 0.00 0.02 0.00 0.00 55.36 55.25 1r9y s GLN 35 Cb -0.17 -2.36 0.09 0.00 1.00 0.00 0.00 33.01 31.57 1r9y s GLN 35 CO 0.25 0.49 1.16 -1.13 -2.12 0.00 0.00 175.29 173.94 1r9y n SER 36 N 0.37 2.16 -1.34 5.90 3.41 -1.26 -4.37 113.62 118.49 1r9y n SER 36 Ca -0.11 -1.58 -0.01 0.00 -0.26 0.00 0.00 58.87 56.91 1r9y n SER 36 Cb 0.53 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1r9y n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r9y n GLY 37 N 1.40 1.30 3.71 5.00 0.00 -1.26 -5.07 105.19 110.27 1r9y n GLY 37 Ca 0.10 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1r9y n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r9y s VAL 38 N -2.55 4.82 0.22 1.61 1.01 -1.26 -4.94 120.40 119.30 1r9y s VAL 38 Ca 0.03 2.04 -0.14 0.00 0.00 0.00 0.00 61.98 63.91 1r9y s VAL 38 Cb -0.00 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 1r9y s VAL 38 CO 0.01 0.17 0.61 -0.04 0.00 0.00 0.00 175.10 175.85 1r9y s MET 39 N 0.96 3.96 0.44 2.72 -1.94 -1.26 -5.07 119.30 119.11 1r9y s MET 39 Ca 0.52 0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 54.79 1r9y s MET 39 Cb -0.21 -2.73 -0.10 0.00 2.01 0.00 0.00 34.83 33.80 1r9y s MET 39 CO 0.28 0.35 0.99 -1.25 -0.01 0.00 0.00 175.02 175.38 1r9y s PRO 40 N -2.46 4.11 0.78 2.03 0.04 -1.26 -4.90 135.00 133.34 1r9y s PRO 40 Ca 0.45 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1r9y s PRO 40 Cb -0.13 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1r9y s PRO 40 CO 0.20 -0.15 1.09 -1.50 0.04 0.00 0.00 177.00 176.68 1r9y s ILE 41 N -2.00 3.22 0.07 0.56 1.10 -1.26 -5.06 121.20 117.82 1r9y s ILE 41 Ca 0.62 0.40 -0.27 0.00 -0.51 0.00 0.00 60.65 60.89 1r9y s ILE 41 Cb -0.14 -3.15 0.09 0.00 0.15 0.00 0.00 42.46 39.42 1r9y s ILE 41 CO 0.18 -0.52 1.15 0.28 -2.11 0.00 0.00 174.94 173.92 1r9y s THR 42 N -3.15 0.00 0.32 4.00 -1.32 -1.26 -5.08 115.64 109.15 1r9y s THR 42 Ca 0.60 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 60.38 1r9y s THR 42 Cb -0.14 -2.21 -0.12 0.00 -1.51 0.00 0.00 72.50 68.52 1r9y s THR 42 CO 0.54 0.00 1.48 -0.62 -2.21 0.00 0.00 174.62 173.82 1r9y n GLU 43 N -0.55 2.51 -1.00 7.08 4.71 -1.26 -1.86 120.64 130.27 1r9y n GLU 43 Ca -0.06 0.89 0.00 0.00 -0.01 0.00 0.00 57.16 57.98 1r9y n GLU 43 Cb 0.61 -2.60 0.00 0.00 -1.01 0.00 0.00 31.44 28.44 1r9y n GLU 43 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1r9y n ASN 44 N 1.36 -3.79 -4.39 1.62 3.02 -1.26 -4.94 115.26 106.87 1r9y n ASN 44 Ca 0.06 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 1r9y n ASN 44 Cb 0.37 -1.34 -0.14 0.00 -0.61 0.00 0.00 39.78 38.06 1r9y n ASN 44 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1r9y s SER 45 N -2.01 4.15 -0.29 6.41 0.01 -0.78 -0.13 113.70 121.07 1r9y s SER 45 Ca 0.00 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1r9y s SER 45 Cb 0.00 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 1r9y s SER 45 CO 0.00 0.16 0.18 -0.22 0.41 0.00 0.00 173.24 173.78 1r9y s LEU 46 N 0.36 4.05 -0.37 2.44 2.96 0.31 -4.65 118.68 123.78 1r9y s LEU 46 Ca -0.10 -0.16 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 1r9y s LEU 46 Cb -0.16 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1r9y s LEU 46 CO 0.05 -0.10 0.81 -0.62 -1.32 0.00 0.00 176.35 175.18 1r9y s ASP 47 N 1.72 6.57 0.07 3.68 -1.08 -1.26 -1.59 116.67 124.78 1r9y s ASP 47 Ca 0.07 0.36 0.23 0.00 -0.52 0.00 0.00 52.55 52.69 1r9y s ASP 47 Cb -0.16 -2.41 0.92 0.00 -1.46 0.00 0.00 42.92 39.81 1r9y s ASP 47 CO 0.10 -0.77 1.71 0.00 0.52 0.00 0.00 175.17 176.73 1r9y n ALA 48 N 6.52 1.99 -3.96 3.66 0.00 -0.34 -4.91 120.51 123.47 1r9y n ALA 48 Ca 0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1r9y n ALA 48 Cb 0.48 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1r9y n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r9y n GLU 49 N -1.73 -4.54 -1.70 0.00 1.02 -1.25 -0.57 120.64 111.88 1r9y n GLU 49 Ca 0.05 0.52 -0.16 0.00 -0.02 0.00 0.00 57.16 57.54 1r9y n GLU 49 Cb 0.28 -5.20 -0.05 0.00 -0.02 0.00 0.00 31.44 26.45 1r9y n GLU 49 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r9y n GLN 50 N -4.51 -1.18 -2.31 3.49 6.02 0.38 -4.99 117.38 114.28 1r9y n GLN 50 Ca -0.06 1.00 -0.26 0.00 -0.01 0.00 0.00 57.00 57.67 1r9y n GLN 50 Cb 0.57 -5.25 0.11 0.00 1.02 0.00 0.00 30.24 26.69 1r9y n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1r9y s GLY 51 N -2.68 1.75 -0.12 1.08 0.00 0.27 -4.65 107.32 102.97 1r9y s GLY 51 Ca 0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 44.72 43.19 1r9y s GLY 51 CO 0.00 -0.79 0.49 -2.27 0.00 0.00 0.00 173.10 170.53 1r9y s LEU 52 N -5.34 4.27 -0.17 0.66 2.96 -0.19 -1.15 118.68 119.71 1r9y s LEU 52 Ca 0.66 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 55.35 1r9y s LEU 52 Cb -0.07 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.88 1r9y s LEU 52 CO 0.46 -0.02 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.75 1r9y s VAL 53 N 0.73 3.86 0.09 1.68 1.01 0.08 -0.84 120.40 127.02 1r9y s VAL 53 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1r9y s VAL 53 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1r9y s VAL 53 CO 0.11 0.47 0.01 0.27 0.00 0.00 0.00 175.10 175.95 1r9y s ILE 54 N 0.66 0.19 0.96 2.22 -4.36 -0.82 -4.58 121.20 115.47 1r9y s ILE 54 Ca -0.02 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 1r9y s ILE 54 Cb -0.14 -1.79 0.16 0.00 1.25 0.00 0.00 42.46 41.94 1r9y s ILE 54 CO 0.02 -0.73 1.09 -2.16 0.24 0.00 0.00 174.94 173.40 1r9y s PRO 55 N -3.98 0.76 0.62 0.37 0.04 -1.26 -0.80 135.00 130.75 1r9y s PRO 55 Ca 0.16 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 1r9y s PRO 55 Cb 0.08 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1r9y s PRO 55 CO -0.04 -2.60 0.96 -2.30 0.04 0.00 0.00 177.00 173.06 1r9y n PRO 56 N -4.14 0.83 -1.49 0.56 -0.02 -1.26 -4.55 135.00 124.93 1r9y n PRO 56 Ca 0.07 0.33 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1r9y n PRO 56 Cb 0.55 -2.18 0.08 0.00 -0.02 0.00 0.00 33.50 31.93 1r9y n PRO 56 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1r9y s PHE 57 N -1.55 2.39 0.01 6.00 2.99 -0.34 -4.76 117.98 122.72 1r9y s PHE 57 Ca 0.77 1.59 0.05 0.00 0.00 0.00 0.00 56.93 59.33 1r9y s PHE 57 Cb -0.40 -3.23 -0.02 0.00 0.00 0.00 0.00 43.02 39.37 1r9y s PHE 57 CO 0.47 -2.02 -0.16 0.08 -0.00 0.00 0.00 175.22 173.58 1r9y s VAL 58 N -2.39 1.30 -0.49 -0.44 1.01 -0.86 -2.58 120.40 115.95 1r9y s VAL 58 Ca 0.68 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1r9y s VAL 58 Cb -0.22 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.17 1r9y s VAL 58 CO 0.46 0.23 0.29 -0.70 0.00 0.00 0.00 175.10 175.39 1r9y s GLU 59 N -0.73 2.21 0.09 2.72 2.56 0.18 -4.84 118.70 120.90 1r9y s GLU 59 Ca 0.05 -2.07 0.24 0.00 0.00 0.00 0.00 54.97 53.20 1r9y s GLU 59 Cb -0.07 -3.65 0.96 0.00 2.00 0.00 0.00 34.13 33.37 1r9y s GLU 59 CO 0.00 -1.11 1.76 -0.35 -0.56 0.00 0.00 175.26 175.00 1r9y n PRO 60 N 4.22 0.10 -3.24 4.30 -0.04 -1.26 -0.51 135.00 138.56 1r9y n PRO 60 Ca 0.01 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 1r9y n PRO 60 Cb 0.40 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 1r9y n PRO 60 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1r9y s HIS 61 N -3.07 -1.34 0.06 0.54 5.65 -1.24 -4.52 115.29 111.36 1r9y s HIS 61 Ca 0.10 0.83 -0.06 0.00 0.25 0.00 0.00 55.06 56.19 1r9y s HIS 61 Cb 0.14 0.12 -0.01 0.00 -1.18 0.00 0.00 32.58 31.64 1r9y s HIS 61 CO 0.47 -0.97 0.10 -1.50 -0.65 0.00 0.00 174.74 172.19 1r9y s ILE 62 N 2.68 0.16 -0.63 0.89 2.07 -0.84 0.11 121.20 125.64 1r9y s ILE 62 Ca 0.12 -1.29 -0.02 0.00 -1.41 0.00 0.00 60.65 58.05 1r9y s ILE 62 Cb -0.12 -1.19 0.16 0.00 0.13 0.00 0.00 42.46 41.43 1r9y s ILE 62 CO -0.26 -0.71 0.43 -1.00 -1.91 0.00 0.00 174.94 171.50 1r9y s HIS 63 N -3.34 3.38 -0.67 3.50 3.76 -0.01 -0.97 115.29 120.94 1r9y s HIS 63 Ca 0.01 -2.81 0.24 0.00 -0.15 0.00 0.00 55.06 52.35 1r9y s HIS 63 Cb 0.03 -3.14 0.91 0.00 1.11 0.00 0.00 32.58 31.49 1r9y s HIS 63 CO -0.08 -0.82 1.72 1.28 -0.85 0.00 0.00 174.74 175.99 1r9y n LEU 64 N 3.34 0.57 0.22 0.89 4.77 -1.26 -2.64 117.00 122.88 1r9y n LEU 64 Ca 0.08 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 1r9y n LEU 64 Cb 0.37 -0.48 0.32 0.00 -2.33 0.00 0.00 43.42 41.30 1r9y n LEU 64 CO 0.34 -0.35 0.77 -2.24 -1.33 0.00 0.00 177.39 174.58 1r9y h ASP 65 N 0.00 0.00 -0.00 -1.43 -0.00 -1.91 -3.29 116.42 109.78 1r9y h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1r9y h ASP 65 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 1r9y h ASP 65 CO 0.00 0.16 -0.33 0.35 -0.00 0.00 0.00 179.24 179.43 1r9y n THR 66 N -3.20 0.00 -1.73 1.15 -2.24 -1.17 -4.94 114.28 102.15 1r9y n THR 66 Ca 0.02 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.08 1r9y n THR 66 Cb 0.50 1.07 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 1r9y n THR 66 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1r9y n THR 67 N -0.69 4.38 -1.14 4.28 5.66 -1.08 -3.36 114.28 122.32 1r9y n THR 67 Ca 0.03 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.48 1r9y n THR 67 Cb 0.19 -1.56 -0.02 0.00 -1.55 0.00 0.00 70.33 67.38 1r9y n THR 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r9y n GLN 68 N -1.44 -0.78 -0.02 1.09 1.13 -0.76 -4.77 117.38 111.82 1r9y n GLN 68 Ca 0.13 0.54 0.10 0.00 -1.94 0.00 0.00 57.00 55.83 1r9y n GLN 68 Cb 0.46 -4.34 0.10 0.00 0.11 0.00 0.00 30.24 26.58 1r9y n GLN 68 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1r9y n THR 69 N -2.64 0.07 -1.72 5.09 -2.24 -0.63 -4.97 114.28 107.24 1r9y n THR 69 Ca -0.05 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 1r9y n THR 69 Cb 0.27 1.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 1r9y n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9y n ALA 70 N 1.17 1.86 -0.98 6.98 0.00 -0.63 -1.97 120.51 126.94 1r9y n ALA 70 Ca 0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1r9y n ALA 70 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1r9y n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9y n GLY 71 N 1.45 0.82 3.16 0.00 0.00 -1.21 -4.97 105.19 104.45 1r9y n GLY 71 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1r9y n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r9y s GLN 72 N -0.02 2.51 0.16 1.61 -0.21 -0.83 -2.80 119.66 120.08 1r9y s GLN 72 Ca 0.00 -1.20 0.25 0.00 0.02 0.00 0.00 55.36 54.43 1r9y s GLN 72 Cb 0.00 -3.07 0.54 0.00 1.00 0.00 0.00 33.01 31.47 1r9y s GLN 72 CO 0.00 -0.55 1.51 -0.35 -2.12 0.00 0.00 175.29 173.78 1r9y n PRO 73 N 4.60 0.28 -4.34 2.91 -0.04 -1.26 -4.43 135.00 132.72 1r9y n PRO 73 Ca -0.14 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1r9y n PRO 73 Cb 0.44 -1.74 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1r9y n PRO 73 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1r9y s ASN 74 N -4.37 2.48 0.25 3.54 0.01 -1.12 -5.15 114.94 110.58 1r9y s ASN 74 Ca 0.08 -1.04 -0.10 0.00 -0.71 0.00 0.00 52.86 51.09 1r9y s ASN 74 Cb 0.13 -0.12 -0.07 0.00 0.41 0.00 0.00 41.25 41.59 1r9y s ASN 74 CO 0.67 -0.21 0.58 0.26 -1.51 0.00 0.00 177.10 176.90 1r9y s TRP 75 N -3.02 3.42 -0.52 2.20 0.52 -1.26 -3.29 118.94 116.98 1r9y s TRP 75 Ca 0.22 0.93 -0.28 0.00 0.02 0.00 0.00 56.10 56.99 1r9y s TRP 75 Cb 0.00 -2.31 0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1r9y s TRP 75 CO 0.06 0.23 1.13 1.21 0.02 0.00 0.00 176.95 179.61 1r9y s ASN 76 N -2.36 6.53 0.01 2.95 3.84 -1.26 -4.88 114.94 119.77 1r9y s ASN 76 Ca 0.49 0.24 0.10 0.00 0.21 0.00 0.00 52.86 53.89 1r9y s ASN 76 Cb -0.11 -2.54 -0.22 0.00 -0.55 0.00 0.00 41.25 37.83 1r9y s ASN 76 CO 0.21 -1.33 0.88 1.56 -2.79 0.00 0.00 177.10 175.63 1r9y h GLN 77 N 9.35 0.01 0.00 0.43 1.08 -1.95 -3.34 115.11 120.69 1r9y h GLN 77 Ca -0.24 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 56.78 1r9y h GLN 77 Cb 1.06 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 1r9y h GLN 77 CO 1.14 0.69 -0.94 0.66 -0.95 0.00 0.00 178.83 179.43 1r9y h SER 78 N 0.00 0.00 0.00 1.46 4.64 -1.99 -3.47 113.55 114.19 1r9y h SER 78 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1r9y h SER 78 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1r9y h SER 78 CO 0.10 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 1r9y n GLY 79 N 1.33 0.87 3.86 -0.77 0.00 -1.25 -5.03 105.19 104.20 1r9y n GLY 79 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1r9y n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r9y s THR 80 N -3.44 4.10 0.10 2.61 -4.23 -1.26 -4.94 115.64 108.58 1r9y s THR 80 Ca 0.00 0.68 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 1r9y s THR 80 Cb 0.00 -3.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.14 1r9y s THR 80 CO 0.00 -0.89 1.66 0.25 -0.54 0.00 0.00 174.62 175.10 1r9y h LEU 81 N -0.53 0.30 -0.23 4.79 5.85 -1.95 -1.70 115.31 121.83 1r9y h LEU 81 Ca -0.44 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.19 1r9y h LEU 81 Cb 1.22 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1r9y h LEU 81 CO 0.62 0.36 -0.20 0.15 -0.34 0.00 0.00 178.44 179.03 1r9y h PHE 82 N 0.22 -0.52 -0.14 1.25 3.57 -1.98 -0.98 116.94 118.35 1r9y h PHE 82 Ca 0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1r9y h PHE 82 Cb 0.15 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1r9y h PHE 82 CO -0.02 -0.28 -0.23 1.49 -2.23 0.00 0.00 178.31 177.05 1r9y h GLU 83 N -0.20 0.24 -0.95 1.11 4.81 -1.94 -2.54 114.58 115.12 1r9y h GLU 83 Ca 0.13 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1r9y h GLU 83 Cb 0.41 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1r9y h GLU 83 CO -0.35 0.47 0.61 0.78 -0.73 0.00 0.00 179.01 179.78 1r9y h GLY 84 N 0.92 1.35 1.00 1.92 0.00 -0.25 0.78 103.07 108.79 1r9y h GLY 84 Ca 0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1r9y h GLY 84 CO 0.04 0.51 0.25 -2.22 0.00 0.00 0.00 176.54 175.12 1r9y h ILE 85 N 1.29 1.23 -0.54 2.60 2.04 -0.87 -1.62 117.51 121.64 1r9y h ILE 85 Ca 0.35 -0.71 -0.12 0.00 1.00 0.00 0.00 64.86 65.38 1r9y h ILE 85 Cb -0.12 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1r9y h ILE 85 CO -0.07 0.28 -0.13 -0.33 0.00 0.00 0.00 178.15 177.90 1r9y h GLU 86 N 0.84 1.04 -0.49 2.37 5.08 -1.13 -2.08 114.58 120.20 1r9y h GLU 86 Ca 0.20 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1r9y h GLU 86 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1r9y h GLU 86 CO -0.02 1.09 -0.02 0.00 -1.00 0.00 0.00 179.01 179.06 1r9y h ARG 87 N 0.92 0.83 -0.49 2.33 2.47 -0.67 -2.52 114.38 117.25 1r9y h ARG 87 Ca 0.14 -0.24 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 1r9y h ARG 87 Cb 0.70 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 1r9y h ARG 87 CO 0.05 0.85 -0.01 2.35 0.56 0.00 0.00 179.97 183.77 1r9y h TRP 88 N 0.77 0.95 -0.10 3.04 2.91 -1.17 -2.84 115.95 119.51 1r9y h TRP 88 Ca 0.14 -0.17 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1r9y h TRP 88 Cb 0.49 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1r9y h TRP 88 CO 0.03 0.90 0.03 0.00 -1.03 0.00 0.00 178.44 178.36 1r9y h ALA 89 N 0.93 1.86 0.00 2.65 0.00 -1.09 -1.22 119.26 122.38 1r9y h ALA 89 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r9y h ALA 89 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1r9y h ALA 89 CO 0.03 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.79 1r9y n GLU 90 N -4.48 0.16 0.00 0.00 1.02 -0.97 -2.62 120.64 113.75 1r9y n GLU 90 Ca -0.01 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1r9y n GLU 90 Cb 0.12 -1.77 0.07 0.00 -0.02 0.00 0.00 31.44 29.83 1r9y n GLU 90 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1r9y n ARG 91 N -2.07 1.84 -0.36 3.49 0.63 -0.46 -4.63 116.66 115.10 1r9y n ARG 91 Ca 0.03 -1.52 0.28 0.00 -0.92 0.00 0.00 57.85 55.73 1r9y n ARG 91 Cb 0.26 -1.47 0.54 0.00 0.45 0.00 0.00 32.46 32.25 1r9y n ARG 91 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1r9y h LYS 92 N 3.70 0.20 0.00 -0.14 3.64 -1.48 0.25 116.57 122.75 1r9y h LYS 92 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1r9y h LYS 92 Cb 0.89 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1r9y h LYS 92 CO 0.00 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 1r9y h ALA 93 N 1.80 1.00 -0.01 5.00 0.00 -1.85 -2.17 119.26 123.03 1r9y h ALA 93 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1r9y h ALA 93 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1r9y h ALA 93 CO -0.57 0.00 -0.70 1.28 0.00 0.00 0.00 179.25 179.25 1r9y n LEU 94 N -2.64 1.33 -4.56 0.00 4.77 0.86 -4.84 117.00 111.93 1r9y n LEU 94 Ca -0.01 -0.53 -0.37 0.00 -0.03 0.00 0.00 56.01 55.08 1r9y n LEU 94 Cb 0.14 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1r9y n LEU 94 CO 0.18 0.28 1.40 -0.22 -1.33 0.00 0.00 177.39 177.71 1r9y s LEU 95 N -2.77 3.33 0.35 2.23 2.96 -0.82 -4.73 118.68 119.23 1r9y s LEU 95 Ca 0.13 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1r9y s LEU 95 Cb 0.17 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.23 1r9y s LEU 95 CO 0.72 -2.01 0.05 0.42 -1.32 0.00 0.00 176.35 174.21 1r9y s THR 96 N 7.00 1.36 0.12 3.68 -4.23 -1.26 -5.03 115.64 117.28 1r9y s THR 96 Ca 0.53 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 1r9y s THR 96 Cb -0.04 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 1r9y s THR 96 CO -0.00 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 174.93 1r9y h HIS 97 N 2.02 -1.10 -0.57 3.99 2.76 -1.92 -1.30 115.15 119.03 1r9y h HIS 97 Ca -0.41 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1r9y h HIS 97 Cb 1.24 0.47 -0.03 0.00 1.55 0.00 0.00 27.41 30.65 1r9y h HIS 97 CO 0.64 -0.49 0.33 -0.44 -1.30 0.00 0.00 177.93 176.67 1r9y h ASP 98 N -0.60 0.69 -0.36 3.26 3.45 -1.97 -2.12 116.42 118.77 1r9y h ASP 98 Ca 0.03 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1r9y h ASP 98 Cb 0.65 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 1r9y h ASP 98 CO -0.26 0.54 0.08 -0.78 -1.57 0.00 0.00 179.24 177.26 1r9y h ASP 99 N 0.79 0.56 -0.43 6.45 3.58 -1.72 -0.67 116.42 124.97 1r9y h ASP 99 Ca 0.21 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1r9y h ASP 99 Cb -0.00 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 1r9y h ASP 99 CO -0.04 0.65 0.19 0.58 -2.88 0.00 0.00 179.24 177.75 1r9y h VAL 100 N 0.44 1.19 -0.63 2.25 2.07 -0.95 -1.81 116.25 118.81 1r9y h VAL 100 Ca 0.11 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1r9y h VAL 100 Cb 0.31 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1r9y h VAL 100 CO 0.00 0.21 0.32 0.11 0.02 0.00 0.00 177.57 178.23 1r9y h LYS 101 N 0.55 0.89 -0.23 1.57 1.57 -1.24 -0.75 116.57 118.93 1r9y h LYS 101 Ca 0.15 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1r9y h LYS 101 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1r9y h LYS 101 CO -0.02 0.70 0.13 0.37 -0.57 0.00 0.00 179.45 180.06 1r9y h GLN 102 N 0.86 0.32 -0.35 3.15 -0.00 -0.94 -0.77 115.11 117.38 1r9y h GLN 102 Ca 0.22 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.66 1r9y h GLN 102 Cb 0.08 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.50 1r9y h GLN 102 CO -0.03 0.30 -0.44 0.00 0.00 0.00 0.00 178.83 178.65 1r9y h ARG 103 N 0.26 0.93 -0.48 1.69 3.08 -1.24 -2.02 114.38 116.60 1r9y h ARG 103 Ca 0.08 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1r9y h ARG 103 Cb 0.07 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1r9y h ARG 103 CO -0.01 1.17 0.28 0.00 -1.07 0.00 0.00 179.97 180.34 1r9y h ALA 104 N 0.74 0.61 -0.34 0.04 0.00 -1.06 -2.32 119.26 116.93 1r9y h ALA 104 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1r9y h ALA 104 Cb 1.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1r9y h ALA 104 CO 0.11 0.10 0.05 -1.49 0.00 0.00 0.00 179.25 178.02 1r9y h TRP 105 N 0.64 0.51 -0.26 0.00 4.06 -1.04 -0.43 115.95 119.43 1r9y h TRP 105 Ca 0.17 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 1r9y h TRP 105 Cb 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 1r9y h TRP 105 CO -0.03 0.47 0.12 0.37 -3.56 0.00 0.00 178.44 175.82 1r9y h GLN 106 N 0.49 0.37 -0.29 0.49 5.75 -0.84 -0.51 115.11 120.57 1r9y h GLN 106 Ca 0.11 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.41 1r9y h GLN 106 Cb 0.25 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1r9y h GLN 106 CO 0.00 0.37 -0.41 1.15 -2.65 0.00 0.00 178.83 177.29 1r9y h THR 107 N 0.28 1.29 -0.55 2.39 2.02 -1.23 -2.83 112.91 114.29 1r9y h THR 107 Ca 0.09 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.67 1r9y h THR 107 Cb 0.12 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1r9y h THR 107 CO -0.01 0.51 0.31 -0.07 0.37 0.00 0.00 175.52 176.63 1r9y h LEU 108 N 0.58 0.66 -0.79 2.58 3.38 -0.81 -0.31 115.31 120.59 1r9y h LEU 108 Ca 0.05 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1r9y h LEU 108 Cb 0.95 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1r9y h LEU 108 CO 0.09 0.52 -0.09 0.11 0.09 0.00 0.00 178.44 179.16 1r9y h LYS 109 N 0.76 0.81 -0.70 1.13 1.57 -0.90 0.13 116.57 119.37 1r9y h LYS 109 Ca 0.20 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1r9y h LYS 109 Cb -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1r9y h LYS 109 CO -0.03 0.88 0.20 -1.49 -0.57 0.00 0.00 179.45 178.43 1r9y h TRP 110 N 0.74 1.13 -0.50 -1.35 4.06 -1.05 -1.44 115.95 117.53 1r9y h TRP 110 Ca 0.13 -0.12 -0.07 0.00 2.06 0.00 0.00 58.89 60.89 1r9y h TRP 110 Cb 0.58 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1r9y h TRP 110 CO 0.03 0.91 0.06 1.96 -3.56 0.00 0.00 178.44 177.84 1r9y h GLN 111 N 1.04 0.85 -0.51 0.49 4.20 -0.49 -1.15 115.11 119.54 1r9y h GLN 111 Ca 0.22 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1r9y h GLN 111 Cb 0.32 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1r9y h GLN 111 CO -0.00 0.85 0.34 0.82 -0.67 0.00 0.00 178.83 180.17 1r9y h ILE 112 N 0.72 1.13 0.00 2.54 2.04 -0.76 -0.64 117.51 122.54 1r9y h ILE 112 Ca 0.15 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1r9y h ILE 112 Cb 0.43 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1r9y h ILE 112 CO 0.01 0.13 -0.08 0.00 0.00 0.00 0.00 178.15 178.21 1r9y h ALA 113 N 1.19 1.70 -0.49 1.87 0.00 -1.02 -2.12 119.26 120.39 1r9y h ALA 113 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1r9y h ALA 113 Cb -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1r9y h ALA 113 CO -0.04 0.10 0.06 0.09 0.00 0.00 0.00 179.25 179.46 1r9y n ASN 114 N -4.20 4.56 -1.35 0.00 3.02 -0.46 -4.60 115.26 112.23 1r9y n ASN 114 Ca -0.03 -2.79 -0.15 0.00 -0.03 0.00 0.00 54.58 51.58 1r9y n ASN 114 Cb 0.16 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 1r9y n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r9y n GLY 115 N 0.33 0.88 3.56 7.41 0.00 -0.80 -4.82 105.19 111.76 1r9y n GLY 115 Ca 0.25 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1r9y n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9y s ILE 116 N -2.63 5.15 -1.19 -0.61 1.01 -0.37 -1.20 121.20 121.36 1r9y s ILE 116 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 60.65 60.99 1r9y s ILE 116 Cb 0.00 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.72 1r9y s ILE 116 CO 0.00 -0.04 0.77 0.00 0.00 0.00 0.00 174.94 175.67 1r9y n GLN 117 N 5.42 1.06 -3.94 2.79 6.02 -1.07 -4.16 117.38 123.50 1r9y n GLN 117 Ca -0.08 -0.95 -0.20 0.00 -0.01 0.00 0.00 57.00 55.76 1r9y n GLN 117 Cb 0.50 -1.16 -0.17 0.00 1.02 0.00 0.00 30.24 30.43 1r9y n GLN 117 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1r9y s HIS 118 N -1.06 0.55 -0.01 1.08 3.76 -1.25 -1.22 115.29 117.13 1r9y s HIS 118 Ca 0.11 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1r9y s HIS 118 Cb 0.09 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 33.18 1r9y s HIS 118 CO 0.18 -0.21 0.00 0.08 -0.85 0.00 0.00 174.74 173.94 1r9y s VAL 119 N 1.33 0.08 -0.25 -0.90 1.01 -0.93 -0.64 120.40 120.10 1r9y s VAL 119 Ca -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1r9y s VAL 119 Cb -0.13 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1r9y s VAL 119 CO -0.02 0.08 -0.05 -0.60 0.00 0.00 0.00 175.10 174.50 1r9y s ARG 120 N 0.54 2.82 -0.09 2.72 3.52 0.34 -0.37 118.95 128.43 1r9y s ARG 120 Ca -0.05 -0.99 -0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1r9y s ARG 120 Cb -0.07 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1r9y s ARG 120 CO -0.01 -0.41 -0.06 -0.08 -0.81 0.00 0.00 175.30 173.93 1r9y s THR 121 N 1.32 3.78 0.07 4.11 -1.32 -0.22 -1.99 115.64 121.39 1r9y s THR 121 Ca -0.00 -0.44 -0.15 0.00 -1.21 0.00 0.00 61.69 59.89 1r9y s THR 121 Cb -0.17 -2.57 -0.06 0.00 -1.51 0.00 0.00 72.50 68.19 1r9y s THR 121 CO -0.04 0.58 0.48 -1.00 -2.21 0.00 0.00 174.62 172.43 1r9y s HIS 122 N -0.58 3.69 -0.07 9.09 3.76 -0.14 -0.44 115.29 130.61 1r9y s HIS 122 Ca 0.09 1.04 0.02 0.00 -0.15 0.00 0.00 55.06 56.05 1r9y s HIS 122 Cb -0.12 -2.33 0.02 0.00 1.11 0.00 0.00 32.58 31.26 1r9y s HIS 122 CO 0.02 0.56 -0.10 0.08 -0.85 0.00 0.00 174.74 174.45 1r9y s VAL 123 N -1.24 0.98 -0.02 -0.90 1.01 -0.07 -4.24 120.40 115.92 1r9y s VAL 123 Ca 0.30 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1r9y s VAL 123 Cb -0.16 -0.92 -0.07 0.00 0.00 0.00 0.00 36.38 35.22 1r9y s VAL 123 CO 0.17 0.33 1.87 -0.62 0.00 0.00 0.00 175.10 176.85 1r9y s ASP 124 N 0.86 6.46 -0.18 3.32 3.68 -1.26 -0.88 116.67 128.67 1r9y s ASP 124 Ca -0.11 2.46 0.16 0.00 2.13 0.00 0.00 52.55 57.19 1r9y s ASP 124 Cb -0.15 -2.53 0.46 0.00 -1.45 0.00 0.00 42.92 39.25 1r9y s ASP 124 CO 0.01 -1.08 1.35 1.33 0.13 0.00 0.00 175.17 176.92 1r9y n VAL 125 N 5.69 2.21 -2.24 1.11 0.24 0.13 -4.65 118.33 120.82 1r9y n VAL 125 Ca 0.20 -2.11 -0.39 0.00 -2.04 0.00 0.00 64.34 59.99 1r9y n VAL 125 Cb 0.42 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 1r9y n VAL 125 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1r9y n SER 126 N -0.85 7.48 -3.44 -1.34 7.64 -1.26 -4.63 113.62 117.21 1r9y n SER 126 Ca 0.21 -3.54 -0.09 0.00 1.01 0.00 0.00 58.87 56.46 1r9y n SER 126 Cb 0.84 -1.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.75 1r9y n SER 126 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1r9y s ASP 127 N -0.71 0.09 0.56 6.43 3.68 -1.26 -4.92 116.67 120.53 1r9y s ASP 127 Ca 0.47 0.46 0.26 0.00 2.13 0.00 0.00 52.55 55.87 1r9y s ASP 127 Cb 0.25 1.18 1.48 0.00 -1.45 0.00 0.00 42.92 44.38 1r9y s ASP 127 CO -0.18 -0.28 2.02 0.00 0.13 0.00 0.00 175.17 176.86 1r9y h ALA 128 N 8.18 2.23 0.00 3.66 0.00 -1.96 0.24 119.26 131.61 1r9y h ALA 128 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r9y h ALA 128 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r9y h ALA 128 CO 0.23 -0.52 -0.31 0.25 0.00 0.00 0.00 179.25 178.89 1r9y n THR 129 N -4.12 0.31 -4.23 0.00 -2.24 -1.26 -4.94 114.28 97.81 1r9y n THR 129 Ca 0.06 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1r9y n THR 129 Cb 0.51 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1r9y n THR 129 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r9y n LEU 130 N -1.96 -1.64 0.14 3.22 4.77 0.07 -4.87 117.00 116.73 1r9y n LEU 130 Ca 0.05 -1.05 -0.14 0.00 -0.03 0.00 0.00 56.01 54.84 1r9y n LEU 130 Cb 0.40 -2.02 -0.08 0.00 -2.33 0.00 0.00 43.42 39.39 1r9y n LEU 130 CO 0.33 0.30 0.79 0.74 -1.33 0.00 0.00 177.39 178.22 1r9y h THR 131 N -1.50 0.81 -0.61 -5.08 2.02 -1.92 -1.94 112.91 104.70 1r9y h THR 131 Ca -0.60 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1r9y h THR 131 Cb 1.38 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1r9y h THR 131 CO 0.77 0.01 0.22 0.00 0.37 0.00 0.00 175.52 176.89 1r9y h ALA 132 N 0.50 1.25 -0.26 6.16 0.00 -1.89 -2.43 119.26 122.58 1r9y h ALA 132 Ca -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1r9y h ALA 132 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1r9y h ALA 132 CO 0.05 0.55 0.09 1.25 0.00 0.00 0.00 179.25 181.18 1r9y h LEU 133 N 0.88 0.38 -1.01 0.00 5.85 -1.78 0.63 115.31 120.26 1r9y h LEU 133 Ca 0.21 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1r9y h LEU 133 Cb 0.20 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1r9y h LEU 133 CO -0.02 0.47 0.58 0.11 -0.34 0.00 0.00 178.44 179.25 1r9y h LYS 134 N 0.27 1.26 -0.23 1.25 1.57 -1.19 -0.65 116.57 118.84 1r9y h LYS 134 Ca 0.09 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1r9y h LYS 134 Cb 0.22 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1r9y h LYS 134 CO -0.00 0.87 0.01 0.00 -0.57 0.00 0.00 179.45 179.75 1r9y h ALA 135 N 1.36 0.31 -0.20 3.86 0.00 -1.20 -3.08 119.26 120.30 1r9y h ALA 135 Ca 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1r9y h ALA 135 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1r9y h ALA 135 CO -0.07 0.03 -0.05 1.98 0.00 0.00 0.00 179.25 181.14 1r9y h MET 136 N 0.18 0.31 -0.16 0.00 1.85 -0.32 -1.62 114.93 115.17 1r9y h MET 136 Ca 0.07 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.03 1r9y h MET 136 Cb 0.39 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 1r9y h MET 136 CO 0.01 0.38 -0.19 -0.07 -0.40 0.00 0.00 176.91 176.65 1r9y h LEU 137 N 0.30 0.25 -0.08 3.39 3.38 -1.05 0.35 115.31 121.85 1r9y h LEU 137 Ca 0.07 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1r9y h LEU 137 Cb 0.29 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1r9y h LEU 137 CO 0.01 0.46 -0.64 -0.33 0.09 0.00 0.00 178.44 178.03 1r9y h GLU 138 N 0.24 0.57 -0.81 1.13 5.08 -1.29 -3.10 114.58 116.41 1r9y h GLU 138 Ca 0.04 -0.51 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1r9y h GLU 138 Cb 0.48 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1r9y h GLU 138 CO 0.03 1.14 0.50 0.28 -1.00 0.00 0.00 179.01 179.95 1r9y h VAL 139 N 0.18 1.05 -0.68 3.13 2.07 -0.86 -0.94 116.25 120.19 1r9y h VAL 139 Ca -0.06 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1r9y h VAL 139 Cb 1.30 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1r9y h VAL 139 CO 0.13 0.17 0.33 0.50 0.02 0.00 0.00 177.57 178.72 1r9y h LYS 140 N 0.92 0.56 -0.38 1.57 3.64 -0.93 0.25 116.57 122.20 1r9y h LYS 140 Ca 0.35 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1r9y h LYS 140 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1r9y h LYS 140 CO -0.16 0.37 -0.21 1.96 -2.27 0.00 0.00 179.45 179.14 1r9y h GLN 141 N 0.57 0.81 -0.48 1.90 4.20 -1.28 -2.86 115.11 117.97 1r9y h GLN 141 Ca 0.34 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1r9y h GLN 141 Cb 0.35 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1r9y h GLN 141 CO -0.27 1.00 -0.02 0.93 -0.67 0.00 0.00 178.83 179.81 1r9y h GLU 142 N 0.61 0.81 -0.01 1.46 5.08 -0.44 -3.08 114.58 119.02 1r9y h GLU 142 Ca 0.08 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1r9y h GLU 142 Cb 0.77 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r9y h GLU 142 CO 0.06 0.82 -0.26 1.55 -1.00 0.00 0.00 179.01 180.19 1r9y n VAL 143 N -4.20 0.00 -0.36 3.13 3.14 0.00 -4.48 118.33 115.55 1r9y n VAL 143 Ca 0.02 -0.10 0.30 0.00 -2.96 0.00 0.00 64.34 61.60 1r9y n VAL 143 Cb 0.31 0.29 0.62 0.00 -1.06 0.00 0.00 33.84 34.00 1r9y n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1r9y h ALA 144 N 3.59 2.64 0.00 1.55 0.00 -1.41 0.65 119.26 126.28 1r9y h ALA 144 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1r9y h ALA 144 Cb 0.48 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1r9y h ALA 144 CO 0.00 -1.09 -0.07 -1.35 0.00 0.00 0.00 179.25 176.74 1r9y h PRO 145 N 0.21 0.00 0.00 0.00 0.11 -1.84 -3.32 132.00 127.16 1r9y h PRO 145 Ca 0.65 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.65 1r9y h PRO 145 Cb 2.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.12 1r9y h PRO 145 CO -0.24 0.07 -1.42 0.91 -0.21 0.00 0.00 178.00 177.11 1r9y n TRP 146 N -3.38 0.00 -3.97 0.65 8.01 0.05 -5.02 117.44 113.78 1r9y n TRP 146 Ca -0.01 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 56.02 1r9y n TRP 146 Cb 0.23 -0.29 -0.15 0.00 -2.01 0.00 0.00 31.31 29.08 1r9y n TRP 146 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1r9y s ILE 147 N -2.15 0.19 -0.50 -0.99 1.01 -0.22 -4.65 121.20 113.89 1r9y s ILE 147 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 1r9y s ILE 147 Cb 0.02 -0.22 0.04 0.00 0.01 0.00 0.00 42.46 42.32 1r9y s ILE 147 CO 0.22 0.10 0.73 -0.62 0.00 0.00 0.00 174.94 175.37 1r9y s ASP 148 N 0.45 6.29 -0.23 3.58 3.68 -0.36 -3.60 116.67 126.48 1r9y s ASP 148 Ca -0.04 -0.59 -0.12 0.00 2.13 0.00 0.00 52.55 53.94 1r9y s ASP 148 Cb -0.07 -2.34 -0.05 0.00 -1.45 0.00 0.00 42.92 39.01 1r9y s ASP 148 CO -0.01 -0.97 0.21 -0.22 0.13 0.00 0.00 175.17 174.31 1r9y s LEU 149 N 3.09 4.13 -0.11 -1.34 2.96 -1.26 -2.18 118.68 123.97 1r9y s LEU 149 Ca 0.22 0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1r9y s LEU 149 Cb -0.16 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1r9y s LEU 149 CO 0.16 0.04 0.12 -1.10 -1.32 0.00 0.00 176.35 174.26 1r9y s GLN 150 N 1.06 3.37 -0.17 1.98 -0.21 0.51 -4.98 119.66 121.23 1r9y s GLN 150 Ca 0.10 -0.18 -0.02 0.00 0.02 0.00 0.00 55.36 55.28 1r9y s GLN 150 Cb -0.14 -3.13 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 1r9y s GLN 150 CO 0.05 0.76 -0.10 0.42 -2.12 0.00 0.00 175.29 174.30 1r9y s ILE 151 N -1.03 3.14 -0.22 1.08 1.01 -1.26 -1.05 121.20 122.86 1r9y s ILE 151 Ca 0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 1r9y s ILE 151 Cb -0.12 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1r9y s ILE 151 CO 0.05 0.49 0.14 -0.69 0.00 0.00 0.00 174.94 174.92 1r9y s VAL 152 N 0.82 5.25 -0.69 2.92 1.01 0.42 -0.95 120.40 129.17 1r9y s VAL 152 Ca -0.03 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1r9y s VAL 152 Cb -0.15 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1r9y s VAL 152 CO 0.01 0.38 1.32 0.00 0.00 0.00 0.00 175.10 176.81 1r9y s ALA 153 N 0.83 2.76 -0.44 5.51 0.00 -0.07 -0.89 121.76 129.46 1r9y s ALA 153 Ca 0.07 -1.15 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1r9y s ALA 153 Cb -0.13 -4.21 0.05 0.00 0.00 0.00 0.00 23.12 18.84 1r9y s ALA 153 CO 0.02 -3.19 0.33 0.12 0.00 0.00 0.00 175.76 173.05 1r9y s PHE 154 N 5.87 3.26 -1.34 0.00 5.36 -0.05 -0.98 117.98 130.09 1r9y s PHE 154 Ca 0.40 -0.92 -0.16 0.00 -0.96 0.00 0.00 56.93 55.29 1r9y s PHE 154 Cb -0.08 -2.90 0.07 0.00 -0.34 0.00 0.00 43.02 39.77 1r9y s PHE 154 CO 0.18 -0.73 1.88 -0.35 -1.46 0.00 0.00 175.22 174.74 1r9y n PRO 155 N 5.13 3.12 -0.26 10.12 -0.04 -1.26 -0.69 135.00 151.11 1r9y n PRO 155 Ca -0.12 -3.12 0.25 0.00 -0.04 0.00 0.00 63.50 60.48 1r9y n PRO 155 Cb 0.45 -3.37 0.60 0.00 -0.04 0.00 0.00 33.50 31.14 1r9y n PRO 155 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1r9y h GLN 156 N 6.95 0.23 -0.56 0.54 5.75 -1.91 0.19 115.11 126.29 1r9y h GLN 156 Ca 0.48 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.96 1r9y h GLN 156 Cb 0.78 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1r9y h GLN 156 CO 1.59 0.15 0.00 0.39 -2.65 0.00 0.00 178.83 178.31 1r9y n GLU 157 N -4.44 2.39 0.00 1.69 -0.58 -1.26 -5.02 120.64 113.42 1r9y n GLU 157 Ca 0.22 -2.15 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1r9y n GLU 157 Cb 0.90 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.30 1r9y n GLU 157 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r9y n GLY 158 N 1.46 2.30 0.10 0.62 0.00 0.05 -4.10 105.19 105.63 1r9y n GLY 158 Ca 0.20 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1r9y n GLY 158 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1r9y h ILE 159 N 0.00 0.93 0.00 -0.61 2.04 -1.90 -3.36 117.51 114.61 1r9y h ILE 159 Ca 0.00 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1r9y h ILE 159 Cb 0.00 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1r9y h ILE 159 CO 0.00 0.32 -0.99 0.18 0.00 0.00 0.00 178.15 177.66 1r9y n LEU 160 N -4.43 0.64 -1.16 1.44 4.77 -1.26 -3.02 117.00 113.98 1r9y n LEU 160 Ca -0.32 0.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1r9y n LEU 160 Cb 0.68 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.95 1r9y n LEU 160 CO 0.19 -0.03 0.74 -1.20 -1.33 0.00 0.00 177.39 175.76 1r9y n SER 161 N -2.15 3.38 -4.05 -1.43 7.64 -1.26 -4.89 113.62 110.86 1r9y n SER 161 Ca 0.01 -1.98 -0.19 0.00 1.01 0.00 0.00 58.87 57.72 1r9y n SER 161 Cb 0.47 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1r9y n SER 161 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1r9y s TYR 162 N -1.23 0.89 0.02 1.43 6.14 -1.26 -4.89 117.35 118.44 1r9y s TYR 162 Ca 0.42 -0.21 -0.34 0.00 0.64 0.00 0.00 57.07 57.58 1r9y s TYR 162 Cb 0.22 -0.56 -0.13 0.00 0.42 0.00 0.00 41.96 41.91 1r9y s TYR 162 CO 0.30 -0.01 1.74 -2.30 0.64 0.00 0.00 175.55 175.91 1r9y n PRO 163 N 2.63 2.11 -1.89 4.97 -0.02 -1.26 -1.21 135.00 140.33 1r9y n PRO 163 Ca -0.15 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 1r9y n PRO 163 Cb 0.56 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1r9y n PRO 163 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r9y n ASN 164 N 5.16 -5.59 -0.19 2.55 5.03 -1.26 -4.88 115.26 116.07 1r9y n ASN 164 Ca 0.20 0.32 -0.01 0.00 0.87 0.00 0.00 54.58 55.96 1r9y n ASN 164 Cb 0.28 -4.83 0.09 0.00 -1.02 0.00 0.00 39.78 34.30 1r9y n ASN 164 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1r9y h GLY 165 N 0.00 0.79 1.07 7.41 0.00 -1.24 0.27 103.07 111.36 1r9y h GLY 165 Ca -0.45 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1r9y h GLY 165 CO 0.60 -0.00 -0.17 -2.09 0.00 0.00 0.00 176.54 174.88 1r9y h GLU 166 N 0.40 0.93 -0.73 4.80 4.81 -1.81 -1.44 114.58 121.55 1r9y h GLU 166 Ca 0.28 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1r9y h GLU 166 Cb 0.32 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1r9y h GLU 166 CO -0.28 1.05 0.36 0.00 -0.73 0.00 0.00 179.01 179.40 1r9y h ALA 167 N 0.86 0.94 -0.34 2.92 0.00 -1.81 -1.43 119.26 120.40 1r9y h ALA 167 Ca 0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1r9y h ALA 167 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r9y h ALA 167 CO 0.06 0.49 -0.26 -0.07 0.00 0.00 0.00 179.25 179.47 1r9y h LEU 168 N 1.02 0.72 -0.46 0.00 3.38 -0.81 -0.27 115.31 118.88 1r9y h LEU 168 Ca 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1r9y h LEU 168 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1r9y h LEU 168 CO -0.03 0.95 0.21 0.25 0.09 0.00 0.00 178.44 179.91 1r9y h LEU 169 N 0.61 0.61 -0.69 1.67 5.85 -0.92 -0.81 115.31 121.62 1r9y h LEU 169 Ca 0.08 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1r9y h LEU 169 Cb 0.76 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1r9y h LEU 169 CO 0.06 0.59 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.44 1r9y h GLU 170 N 0.60 0.76 -0.94 1.25 4.81 -1.09 -2.50 114.58 117.47 1r9y h GLU 170 Ca 0.16 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1r9y h GLU 170 Cb 0.15 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1r9y h GLU 170 CO -0.02 0.92 0.58 1.49 -0.73 0.00 0.00 179.01 181.25 1r9y h GLU 171 N 0.66 1.27 -0.84 1.92 4.81 -0.72 -0.24 114.58 121.46 1r9y h GLU 171 Ca 0.09 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1r9y h GLU 171 Cb 0.74 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1r9y h GLU 171 CO 0.06 0.88 0.52 0.00 -0.73 0.00 0.00 179.01 179.74 1r9y h ALA 172 N 1.32 1.34 -0.40 2.92 0.00 -0.77 -1.03 119.26 122.64 1r9y h ALA 172 Ca 0.34 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1r9y h ALA 172 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1r9y h ALA 172 CO -0.07 0.58 -0.32 -0.07 0.00 0.00 0.00 179.25 179.38 1r9y h LEU 173 N 1.15 0.98 -2.01 0.00 3.38 -0.93 -1.95 115.31 115.93 1r9y h LEU 173 Ca 0.30 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1r9y h LEU 173 Cb -0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1r9y h LEU 173 CO -0.06 1.22 -0.09 0.03 0.09 0.00 0.00 178.44 179.63 1r9y h ARG 174 N 0.76 0.00 -0.00 1.13 3.08 -0.39 -0.93 114.38 118.03 1r9y h ARG 174 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1r9y h ARG 174 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1r9y h ARG 174 CO 0.08 0.09 -0.22 1.28 -1.07 0.00 0.00 179.97 180.14 1r9y n LEU 175 N -3.59 0.36 0.00 3.04 4.77 -0.45 -4.93 117.00 116.19 1r9y n LEU 175 Ca -0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1r9y n LEU 175 Cb 0.22 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1r9y n LEU 175 CO 0.29 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1r9y n GLY 176 N 1.43 1.22 3.76 -0.72 0.00 -0.35 -5.09 105.19 105.44 1r9y n GLY 176 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1r9y n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r9y n ALA 177 N -0.13 2.45 0.13 4.61 0.00 -0.76 -4.90 120.51 121.92 1r9y n ALA 177 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.82 1r9y n ALA 177 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 19.45 17.02 1r9y n ALA 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1r9y h ASP 178 N 3.71 0.00 -4.16 0.00 3.32 -1.40 -3.44 116.42 114.45 1r9y h ASP 178 Ca -0.49 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.18 1r9y h ASP 178 Cb 1.23 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.52 1r9y h ASP 178 CO 0.70 0.50 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.26 1r9y s VAL 179 N -2.96 0.70 -0.18 -1.35 1.01 -0.64 -2.47 120.40 114.51 1r9y s VAL 179 Ca 0.03 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1r9y s VAL 179 Cb 0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1r9y s VAL 179 CO 0.75 0.08 0.47 -0.69 0.00 0.00 0.00 175.10 175.71 1r9y s VAL 180 N -0.46 5.16 0.47 2.92 1.01 0.17 -0.89 120.40 128.77 1r9y s VAL 180 Ca 0.01 0.87 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1r9y s VAL 180 Cb -0.05 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1r9y s VAL 180 CO 0.00 0.24 0.45 -0.83 0.00 0.00 0.00 175.10 174.96 1r9y s GLY 181 N 0.96 2.13 0.15 4.51 0.00 -0.15 -1.37 107.32 113.55 1r9y s GLY 181 Ca 0.23 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.93 1r9y s GLY 181 CO 0.09 -1.74 0.90 0.00 0.00 0.00 0.00 173.10 172.35 1r9y s ALA 182 N -2.56 -1.61 -0.46 3.20 0.00 -1.25 -4.60 121.76 114.48 1r9y s ALA 182 Ca 0.47 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.70 1r9y s ALA 182 Cb -0.04 0.65 0.26 0.00 0.00 0.00 0.00 23.12 23.99 1r9y s ALA 182 CO 0.28 -0.98 0.81 1.51 0.00 0.00 0.00 175.76 177.39 1r9y n ILE 183 N -0.43 -0.19 -0.27 0.00 3.06 -1.26 -0.97 119.36 119.31 1r9y n ILE 183 Ca -0.07 -2.28 0.16 0.00 -2.50 0.00 0.00 62.75 58.06 1r9y n ILE 183 Cb 0.61 0.54 0.44 0.00 0.54 0.00 0.00 39.64 41.77 1r9y n ILE 183 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1r9y h PRO 184 N 3.84 0.54 0.00 9.51 0.13 -1.85 -1.20 132.00 142.97 1r9y h PRO 184 Ca -0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1r9y h PRO 184 Cb 1.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1r9y h PRO 184 CO 0.35 0.36 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 1r9y n HIS 185 N -4.56 0.57 0.79 1.56 1.44 -1.26 -2.44 115.22 111.31 1r9y n HIS 185 Ca 0.19 0.21 0.11 0.00 -2.01 0.00 0.00 57.72 56.22 1r9y n HIS 185 Cb 0.60 -0.84 0.10 0.00 0.12 0.00 0.00 29.99 29.97 1r9y n HIS 185 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1r9y n PHE 186 N -2.00 0.16 -1.42 -1.40 7.35 -0.46 -4.92 117.46 114.77 1r9y n PHE 186 Ca 0.03 0.05 -0.33 0.00 -0.76 0.00 0.00 57.45 56.44 1r9y n PHE 186 Cb 0.25 -0.33 0.09 0.00 0.35 0.00 0.00 39.48 39.84 1r9y n PHE 186 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1r9y s GLU 187 N -3.09 2.20 0.37 -4.13 0.41 -1.02 -4.88 118.70 108.56 1r9y s GLU 187 Ca 0.07 1.58 0.09 0.00 -0.41 0.00 0.00 54.97 56.30 1r9y s GLU 187 Cb 0.16 -1.86 0.83 0.00 -1.78 0.00 0.00 34.13 31.47 1r9y s GLU 187 CO 0.76 -1.75 1.93 0.74 -0.49 0.00 0.00 175.26 176.45 1r9y h PHE 188 N -0.46 0.72 -4.02 1.61 0.04 -1.91 -3.44 116.94 109.47 1r9y h PHE 188 Ca -0.46 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.13 1r9y h PHE 188 Cb 1.27 -0.23 -0.15 0.00 2.20 0.00 0.00 35.95 39.04 1r9y h PHE 188 CO 0.50 0.33 -0.68 0.95 -0.60 0.00 0.00 178.31 178.81 1r9y s THR 189 N -5.62 0.46 0.31 -1.55 -4.23 -1.26 -5.03 115.64 98.73 1r9y s THR 189 Ca -0.09 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1r9y s THR 189 Cb 0.20 -1.72 0.28 0.00 1.34 0.00 0.00 72.50 72.60 1r9y s THR 189 CO 0.77 -0.83 1.94 -0.09 -0.54 0.00 0.00 174.62 175.88 1r9y h ARG 190 N 2.99 0.99 -0.53 3.99 2.43 -1.91 -0.39 114.38 121.94 1r9y h ARG 190 Ca -0.35 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1r9y h ARG 190 Cb 1.16 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1r9y h ARG 190 CO 0.64 0.65 0.16 0.93 -1.51 0.00 0.00 179.97 180.84 1r9y h GLU 191 N 1.01 0.83 -0.61 0.20 3.07 -1.97 -0.89 114.58 116.22 1r9y h GLU 191 Ca 0.34 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1r9y h GLU 191 Cb 0.08 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1r9y h GLU 191 CO -0.11 0.77 0.21 1.88 -1.40 0.00 0.00 179.01 180.36 1r9y h TYR 192 N 0.73 0.93 0.02 4.33 -1.99 -1.76 -0.72 116.97 118.51 1r9y h TYR 192 Ca 0.17 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1r9y h TYR 192 Cb 0.29 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 1r9y h TYR 192 CO 0.02 0.74 -0.02 0.78 -0.00 0.00 0.00 178.16 179.68 1r9y h GLY 193 N 1.01 -0.03 0.91 3.88 0.00 -0.30 0.15 103.07 108.69 1r9y h GLY 193 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1r9y h GLY 193 CO -0.01 -0.02 0.10 -2.08 0.00 0.00 0.00 176.54 174.53 1r9y h VAL 194 N -0.04 1.21 -0.91 4.60 2.07 -1.01 -2.90 116.25 119.27 1r9y h VAL 194 Ca 0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1r9y h VAL 194 Cb 0.04 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1r9y h VAL 194 CO -0.01 0.23 0.57 -0.08 0.02 0.00 0.00 177.57 178.30 1r9y h GLU 195 N 0.37 1.22 -0.31 1.57 4.81 -0.99 -1.81 114.58 119.44 1r9y h GLU 195 Ca 0.10 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1r9y h GLU 195 Cb 0.25 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1r9y h GLU 195 CO -0.00 0.83 0.19 0.66 -0.73 0.00 0.00 179.01 179.96 1r9y h SER 196 N 1.25 0.36 -0.08 1.04 4.64 -0.51 -1.69 113.55 118.55 1r9y h SER 196 Ca 0.33 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.46 1r9y h SER 196 Cb -0.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1r9y h SER 196 CO -0.07 0.27 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.52 1r9y h LEU 197 N 0.42 0.76 -0.63 5.97 3.38 -1.15 -0.42 115.31 123.64 1r9y h LEU 197 Ca 0.11 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1r9y h LEU 197 Cb -0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1r9y h LEU 197 CO -0.02 1.17 0.34 0.45 0.09 0.00 0.00 178.44 180.46 1r9y h HIS 198 N 0.51 0.87 -0.61 1.13 3.86 -1.09 -1.05 115.15 118.76 1r9y h HIS 198 Ca 0.00 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1r9y h HIS 198 Cb 1.15 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1r9y h HIS 198 CO 0.06 0.63 0.14 0.87 0.86 0.00 0.00 177.93 180.49 1r9y h LYS 199 N 0.85 0.97 -0.21 2.45 1.57 -1.10 -1.25 116.57 119.85 1r9y h LYS 199 Ca 0.22 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1r9y h LYS 199 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1r9y h LYS 199 CO -0.03 0.87 0.09 1.15 -0.57 0.00 0.00 179.45 180.95 1r9y h THR 200 N 0.92 1.16 -0.58 -0.16 2.02 -0.72 -1.65 112.91 113.90 1r9y h THR 200 Ca 0.20 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1r9y h THR 200 Cb 0.35 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1r9y h THR 200 CO 0.00 0.15 0.06 -0.26 0.37 0.00 0.00 175.52 175.84 1r9y h PHE 201 N 0.19 1.02 -0.81 3.16 0.04 -1.01 -1.32 116.94 118.21 1r9y h PHE 201 Ca 0.07 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1r9y h PHE 201 Cb 0.16 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1r9y h PHE 201 CO -0.01 0.89 0.46 0.00 -0.60 0.00 0.00 178.31 179.04 1r9y h ALA 202 N 1.16 1.03 -0.51 2.45 0.00 -1.04 -1.35 119.26 121.01 1r9y h ALA 202 Ca 0.18 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1r9y h ALA 202 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1r9y h ALA 202 CO 0.02 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.63 1r9y h LEU 203 N 1.12 0.97 -1.08 0.00 3.38 -0.95 -0.58 115.31 118.16 1r9y h LEU 203 Ca 0.29 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1r9y h LEU 203 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1r9y h LEU 203 CO -0.05 1.09 0.23 0.00 0.09 0.00 0.00 178.44 179.80 1r9y h ALA 204 N 0.91 1.27 0.02 1.53 0.00 -0.87 -1.37 119.26 120.75 1r9y h ALA 204 Ca 0.13 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1r9y h ALA 204 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1r9y h ALA 204 CO 0.05 0.54 -0.98 1.96 0.00 0.00 0.00 179.25 180.81 1r9y h GLN 205 N 0.87 0.38 -0.66 0.00 1.08 -1.10 0.79 115.11 116.47 1r9y h GLN 205 Ca 0.20 -0.43 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1r9y h GLN 205 Cb 0.19 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1r9y h GLN 205 CO -0.02 1.11 0.15 -0.22 -0.95 0.00 0.00 178.83 178.91 1r9y h LYS 206 N 0.20 1.04 -0.02 1.46 3.64 -0.78 -3.20 116.57 118.92 1r9y h LYS 206 Ca -0.09 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1r9y h LYS 206 Cb 1.63 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1r9y h LYS 206 CO 0.17 0.93 -0.00 0.66 -2.27 0.00 0.00 179.45 178.93 1r9y n TYR 207 N -4.24 0.00 -3.42 1.91 4.02 -0.54 -5.01 117.16 109.88 1r9y n TYR 207 Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.72 1r9y n TYR 207 Cb 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.63 1r9y n TYR 207 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1r9y n ASP 208 N 1.03 -6.15 -4.51 7.72 4.64 0.13 -5.03 116.55 114.38 1r9y n ASP 208 Ca 0.11 -0.82 -0.24 0.00 -1.38 0.00 0.00 54.79 52.46 1r9y n ASP 208 Cb 0.46 -4.44 -0.11 0.00 -1.04 0.00 0.00 41.12 35.99 1r9y n ASP 208 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1r9y s ARG 209 N -4.99 1.75 0.81 -0.67 1.81 -0.39 -5.04 118.95 112.22 1r9y s ARG 209 Ca 0.45 -1.93 -0.11 0.00 -1.72 0.00 0.00 55.73 52.42 1r9y s ARG 209 Cb -0.10 -1.40 0.11 0.00 -0.45 0.00 0.00 34.95 33.11 1r9y s ARG 209 CO 0.79 0.01 1.15 -0.51 -0.68 0.00 0.00 175.30 176.07 1r9y s LEU 210 N -3.57 2.68 -0.02 2.53 1.43 -1.03 -4.73 118.68 115.98 1r9y s LEU 210 Ca 0.33 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1r9y s LEU 210 Cb 0.06 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1r9y s LEU 210 CO 0.15 -2.01 -0.12 -0.63 0.23 0.00 0.00 176.35 173.97 1r9y s ILE 211 N -3.52 0.96 -0.26 -0.59 1.01 -0.03 -0.65 121.20 118.11 1r9y s ILE 211 Ca 0.65 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.78 1r9y s ILE 211 Cb -0.09 -0.82 0.13 0.00 0.01 0.00 0.00 42.46 41.69 1r9y s ILE 211 CO 0.48 0.28 0.30 -0.62 0.00 0.00 0.00 174.94 175.38 1r9y s ASP 212 N -0.13 1.33 -0.13 3.58 3.68 -0.47 -0.88 116.67 123.66 1r9y s ASP 212 Ca 0.02 -0.46 -0.14 0.00 2.13 0.00 0.00 52.55 54.10 1r9y s ASP 212 Cb -0.06 0.60 -0.05 0.00 -1.45 0.00 0.00 42.92 41.96 1r9y s ASP 212 CO 0.00 -0.36 0.32 -0.69 0.13 0.00 0.00 175.17 174.57 1r9y s VAL 213 N 2.39 5.26 -0.70 1.11 1.01 -0.57 -3.91 120.40 124.99 1r9y s VAL 213 Ca 0.09 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.42 1r9y s VAL 213 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1r9y s VAL 213 CO -0.25 0.43 1.38 -1.00 0.00 0.00 0.00 175.10 175.66 1r9y s HIS 214 N 0.12 2.19 -0.26 5.22 3.76 -0.14 -0.21 115.29 125.97 1r9y s HIS 214 Ca 0.19 0.14 -0.05 0.00 -0.15 0.00 0.00 55.06 55.19 1r9y s HIS 214 Cb -0.14 -4.52 0.00 0.00 1.11 0.00 0.00 32.58 29.04 1r9y s HIS 214 CO 0.06 -2.09 0.01 0.00 -0.85 0.00 0.00 174.74 171.88 1r9y n ASP 216 N 4.81 -3.05 -4.30 0.00 10.43 -1.26 -0.58 116.55 122.60 1r9y n ASP 216 Ca -0.16 -0.79 -0.43 0.00 2.57 0.00 0.00 54.79 55.98 1r9y n ASP 216 Cb 0.49 -4.01 0.00 0.00 1.84 0.00 0.00 41.12 39.44 1r9y n ASP 216 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1r9y n GLU 217 N -4.50 3.32 -3.62 -1.24 2.13 -1.26 -1.47 120.64 114.00 1r9y n GLU 217 Ca -0.13 -3.50 -0.08 0.00 0.66 0.00 0.00 57.16 54.11 1r9y n GLU 217 Cb 0.60 -3.17 -0.06 0.00 0.27 0.00 0.00 31.44 29.08 1r9y n GLU 217 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1r9y s ILE 218 N 2.22 0.00 -1.38 6.31 2.07 -1.26 -4.98 121.20 124.19 1r9y s ILE 218 Ca 0.46 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.61 1r9y s ILE 218 Cb 0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 1r9y s ILE 218 CO 0.01 0.00 2.85 0.47 -1.91 0.00 0.00 174.94 176.37 1r9y n ASP 219 N 1.52 8.23 -4.04 4.50 10.43 -1.26 -2.88 116.55 133.04 1r9y n ASP 219 Ca -0.11 -2.74 -0.32 0.00 2.57 0.00 0.00 54.79 54.19 1r9y n ASP 219 Cb 0.57 -1.48 -0.15 0.00 1.84 0.00 0.00 41.12 41.89 1r9y n ASP 219 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1r9y s ASP 220 N 1.59 3.93 0.12 -2.24 3.68 -1.26 -4.99 116.67 117.51 1r9y s ASP 220 Ca 0.65 -1.14 0.12 0.00 2.13 0.00 0.00 52.55 54.31 1r9y s ASP 220 Cb 0.20 -1.42 0.59 0.00 -1.45 0.00 0.00 42.92 40.84 1r9y s ASP 220 CO -0.07 -0.16 1.39 -1.84 0.13 0.00 0.00 175.17 174.62 1r9y n GLU 221 N 4.55 0.07 0.00 4.34 0.00 -1.26 -1.34 120.64 126.99 1r9y n GLU 221 Ca -0.15 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.60 1r9y n GLU 221 Cb 0.44 -1.67 0.18 0.00 0.00 0.00 0.00 31.44 30.39 1r9y n GLU 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1r9y n GLN 222 N -1.81 1.56 -2.73 3.44 6.02 -1.26 -4.79 117.38 117.81 1r9y n GLN 222 Ca 0.01 -1.19 -0.42 0.00 -0.01 0.00 0.00 57.00 55.38 1r9y n GLN 222 Cb 0.09 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1r9y n GLN 222 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1r9y s SER 223 N -2.26 6.20 -0.27 1.08 0.15 -0.45 -4.85 113.70 113.30 1r9y s SER 223 Ca 0.25 -0.66 0.11 0.00 0.70 0.00 0.00 55.95 56.35 1r9y s SER 223 Cb 0.19 -2.48 0.47 0.00 -1.71 0.00 0.00 66.02 62.49 1r9y s SER 223 CO 0.44 -1.55 1.18 0.54 1.20 0.00 0.00 173.24 175.05 1r9y n ARG 224 N 8.29 3.06 0.28 5.44 1.74 -1.26 -4.79 116.66 129.41 1r9y n ARG 224 Ca -0.00 -3.95 0.16 0.00 -0.77 0.00 0.00 57.85 53.29 1r9y n ARG 224 Cb 0.47 -2.07 0.76 0.00 -1.02 0.00 0.00 32.46 30.60 1r9y n ARG 224 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1r9y h PHE 225 N 2.15 0.00 -0.45 -1.55 -1.00 -1.96 -2.63 116.94 111.51 1r9y h PHE 225 Ca 0.24 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.10 1r9y h PHE 225 Cb 1.46 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.99 1r9y h PHE 225 CO 0.77 0.07 0.31 -0.24 -1.61 0.00 0.00 178.31 177.61 1r9y h VAL 226 N 0.00 0.89 -0.05 -0.55 3.04 -1.92 -0.68 116.25 116.99 1r9y h VAL 226 Ca -0.00 -0.08 -0.10 0.00 -1.01 0.00 0.00 66.70 65.51 1r9y h VAL 226 Cb 0.40 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 1r9y h VAL 226 CO 0.01 0.04 -0.42 1.05 -1.01 0.00 0.00 177.57 177.25 1r9y h GLU 227 N 0.24 0.10 -0.10 4.17 4.11 -1.88 -1.37 114.58 119.86 1r9y h GLU 227 Ca 0.21 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 59.36 1r9y h GLU 227 Cb 0.50 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1r9y h GLU 227 CO -0.04 0.50 -0.84 1.15 0.07 0.00 0.00 179.01 179.85 1r9y h THR 228 N 0.09 1.30 -0.34 -1.06 2.02 -1.32 -0.84 112.91 112.75 1r9y h THR 228 Ca 0.01 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.11 1r9y h THR 228 Cb 0.77 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1r9y h THR 228 CO 0.06 0.65 0.22 0.58 0.37 0.00 0.00 175.52 177.40 1r9y h VAL 229 N 0.46 1.08 -0.43 3.16 2.07 -1.10 -0.42 116.25 121.08 1r9y h VAL 229 Ca -0.07 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1r9y h VAL 229 Cb 1.47 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1r9y h VAL 229 CO 0.17 0.08 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 1r9y h ALA 230 N 1.13 0.59 -0.53 1.67 0.00 -1.25 -2.20 119.26 118.66 1r9y h ALA 230 Ca 0.13 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1r9y h ALA 230 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1r9y h ALA 230 CO -0.03 0.49 0.11 0.00 0.00 0.00 0.00 179.25 179.82 1r9y h ALA 231 N 0.85 0.71 -0.38 0.00 0.00 -0.93 -0.91 119.26 118.60 1r9y h ALA 231 Ca 0.11 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1r9y h ALA 231 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1r9y h ALA 231 CO 0.05 0.42 -0.22 -0.07 0.00 0.00 0.00 179.25 179.43 1r9y h LEU 232 N 0.76 0.76 -0.51 0.00 3.38 -1.07 -0.66 115.31 117.96 1r9y h LEU 232 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1r9y h LEU 232 Cb 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1r9y h LEU 232 CO 0.01 0.96 0.16 0.00 0.09 0.00 0.00 178.44 179.65 1r9y h ALA 233 N 1.10 0.67 -0.63 1.53 0.00 -1.17 -1.69 119.26 119.07 1r9y h ALA 233 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1r9y h ALA 233 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1r9y h ALA 233 CO 0.06 0.32 0.15 1.25 0.00 0.00 0.00 179.25 181.03 1r9y h HIS 234 N 0.69 1.07 -0.73 0.00 -0.00 -0.93 -0.01 115.15 115.24 1r9y h HIS 234 Ca 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1r9y h HIS 234 Cb 0.27 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1r9y h HIS 234 CO 0.01 0.89 0.42 1.25 -0.00 0.00 0.00 177.93 180.50 1r9y h HIS 235 N 0.93 0.99 -0.01 5.26 6.17 -0.88 -2.49 115.15 125.14 1r9y h HIS 235 Ca 0.20 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1r9y h HIS 235 Cb 0.37 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1r9y h HIS 235 CO 0.03 0.69 -0.13 0.39 0.71 0.00 0.00 177.93 179.61 1r9y n GLU 236 N -4.49 0.82 -3.55 5.26 -0.58 -0.66 -4.94 120.64 112.50 1r9y n GLU 236 Ca 0.06 -0.35 -0.20 0.00 -0.42 0.00 0.00 57.16 56.25 1r9y n GLU 236 Cb 0.08 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.53 1r9y n GLU 236 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r9y n GLY 237 N 1.28 -0.40 0.99 0.62 0.00 -0.14 -4.93 105.19 102.61 1r9y n GLY 237 Ca 0.15 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1r9y n GLY 237 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1r9y n MET 238 N -4.40 0.54 -0.31 1.61 0.00 -0.46 -4.90 117.12 109.21 1r9y n MET 238 Ca -0.20 -2.27 0.13 0.00 0.00 0.00 0.00 57.70 55.36 1r9y n MET 238 Cb 0.64 -0.64 0.31 0.00 0.00 0.00 0.00 33.22 33.52 1r9y n MET 238 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1r9y h GLY 239 N 0.78 1.54 1.39 3.17 0.00 -1.67 -0.90 103.07 107.38 1r9y h GLY 239 Ca -0.11 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.13 1r9y h GLY 239 CO 0.05 -0.27 0.23 0.00 0.00 0.00 0.00 176.54 176.55 1r9y h ALA 240 N 1.71 2.15 -0.20 3.60 0.00 -1.82 -1.39 119.26 123.32 1r9y h ALA 240 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1r9y h ALA 240 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r9y h ALA 240 CO -0.53 -0.37 0.00 0.54 0.00 0.00 0.00 179.25 178.89 1r9y n ARG 241 N -4.24 2.03 -5.02 0.00 1.74 -0.34 -4.65 116.66 106.17 1r9y n ARG 241 Ca 0.04 -1.54 -0.32 0.00 -0.77 0.00 0.00 57.85 55.26 1r9y n ARG 241 Cb 0.38 -1.45 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 1r9y n ARG 241 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r9y s VAL 242 N -1.76 2.74 -0.01 1.55 1.01 -0.52 -0.85 120.40 122.56 1r9y s VAL 242 Ca 0.34 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1r9y s VAL 242 Cb 0.20 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1r9y s VAL 242 CO 0.29 0.58 -0.07 -0.89 0.00 0.00 0.00 175.10 175.02 1r9y s THR 243 N -0.63 0.53 -0.32 3.92 2.01 -0.06 -0.78 115.64 120.31 1r9y s THR 243 Ca 0.10 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1r9y s THR 243 Cb -0.11 -0.46 0.05 0.00 0.01 0.00 0.00 72.50 71.99 1r9y s THR 243 CO 0.00 0.16 0.05 0.00 -0.69 0.00 0.00 174.62 174.15 1r9y s ALA 244 N -0.07 2.93 0.20 7.40 0.00 0.62 -1.51 121.76 131.33 1r9y s ALA 244 Ca 0.01 -1.80 -0.19 0.00 0.00 0.00 0.00 51.96 49.98 1r9y s ALA 244 Cb -0.04 -2.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.90 1r9y s ALA 244 CO -0.00 -1.33 0.68 -1.12 0.00 0.00 0.00 175.76 173.99 1r9y s SER 245 N 1.36 7.01 0.00 0.00 0.01 0.70 -2.28 113.70 120.50 1r9y s SER 245 Ca -0.03 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1r9y s SER 245 Cb -0.20 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1r9y s SER 245 CO 0.00 0.05 0.00 1.41 0.41 0.00 0.00 173.24 175.12 1r9y n HIS 246 N 0.77 0.00 -4.44 2.43 8.25 0.41 -1.15 115.22 121.48 1r9y n HIS 246 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 1r9y n HIS 246 Cb 0.51 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 1r9y n HIS 246 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1r9y n THR 247 N 0.00 -0.43 0.26 1.59 -2.24 0.25 -4.26 114.28 109.45 1r9y n THR 247 Ca 0.00 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1r9y n THR 247 Cb 0.00 -0.82 0.67 0.00 -2.10 0.00 0.00 70.33 68.08 1r9y n THR 247 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1r9y h THR 248 N -1.16 0.49 0.00 4.28 1.35 -1.65 -1.83 112.91 114.39 1r9y h THR 248 Ca -0.61 -0.67 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 1r9y h THR 248 Cb 1.39 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1r9y h THR 248 CO 0.84 0.13 -0.05 0.00 -0.25 0.00 0.00 175.52 176.19 1r9y h ALA 249 N 1.87 1.55 0.00 6.62 0.00 -1.12 -1.45 119.26 126.73 1r9y h ALA 249 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1r9y h ALA 249 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1r9y h ALA 249 CO 0.02 0.06 -0.05 1.98 0.00 0.00 0.00 179.25 181.26 1r9y h MET 250 N 0.00 0.00 0.00 0.00 -1.53 -1.61 0.80 114.93 112.59 1r9y h MET 250 Ca -0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1r9y h MET 250 Cb 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1r9y h MET 250 CO 0.01 0.05 -0.04 1.25 0.14 0.00 0.00 176.91 178.32 1r9y h HIS 251 N 0.00 0.00 -0.14 1.39 2.76 -1.43 -2.90 115.15 114.82 1r9y h HIS 251 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1r9y h HIS 251 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1r9y h HIS 251 CO 0.00 0.04 0.00 0.43 -1.30 0.00 0.00 177.93 177.10 1r9y n SER 252 N -3.28 2.47 -4.79 3.26 7.64 0.26 -4.97 113.62 114.21 1r9y n SER 252 Ca -0.02 -1.71 -0.33 0.00 1.01 0.00 0.00 58.87 57.83 1r9y n SER 252 Cb 0.19 -0.09 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1r9y n SER 252 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r9y s TYR 253 N -1.12 2.86 0.66 1.43 2.02 -1.10 -4.68 117.35 117.43 1r9y s TYR 253 Ca 0.20 1.52 -0.13 0.00 -0.37 0.00 0.00 57.07 58.29 1r9y s TYR 253 Cb 0.13 -3.05 -0.01 0.00 -0.40 0.00 0.00 41.96 38.63 1r9y s TYR 253 CO 0.18 -1.34 1.06 0.54 -1.57 0.00 0.00 175.55 174.43 1r9y s ASN 254 N -2.83 5.49 0.33 2.29 2.20 -1.26 -4.93 114.94 116.23 1r9y s ASN 254 Ca 0.64 1.71 0.08 0.00 -0.94 0.00 0.00 52.86 54.34 1r9y s ASN 254 Cb -0.17 -2.51 0.58 0.00 -2.00 0.00 0.00 41.25 37.15 1r9y s ASN 254 CO 0.41 -1.36 1.79 1.23 -2.94 0.00 0.00 177.10 176.22 1r9y h GLY 255 N -0.28 0.26 0.88 0.45 0.00 -1.99 -2.77 103.07 99.62 1r9y h GLY 255 Ca -0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1r9y h GLY 255 CO 0.57 0.19 0.01 0.00 0.00 0.00 0.00 176.54 177.30 1r9y h ALA 256 N 1.48 0.40 -0.45 3.60 0.00 -2.00 -1.17 119.26 121.13 1r9y h ALA 256 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1r9y h ALA 256 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1r9y h ALA 256 CO 0.05 0.14 0.04 -0.92 0.00 0.00 0.00 179.25 178.56 1r9y h TYR 257 N 0.32 0.82 -0.91 0.00 3.20 -1.96 -2.49 116.97 115.95 1r9y h TYR 257 Ca 0.09 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1r9y h TYR 257 Cb 0.42 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.41 1r9y h TYR 257 CO 0.03 0.79 0.58 1.15 -1.64 0.00 0.00 178.16 179.07 1r9y h THR 258 N 0.61 1.09 -0.54 1.81 2.02 -1.36 0.16 112.91 116.71 1r9y h THR 258 Ca 0.13 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1r9y h THR 258 Cb 0.43 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1r9y h THR 258 CO 0.02 0.20 0.22 -1.28 0.37 0.00 0.00 175.52 175.04 1r9y h SER 259 N 1.08 0.74 -0.20 4.18 0.87 -1.05 -0.02 113.55 119.16 1r9y h SER 259 Ca 0.38 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1r9y h SER 259 Cb 0.11 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1r9y h SER 259 CO -0.15 0.71 0.07 -0.09 -0.53 0.00 0.00 176.83 176.84 1r9y h ARG 260 N 0.73 0.30 -0.68 2.24 1.12 -0.91 -3.06 114.38 114.12 1r9y h ARG 260 Ca 0.18 -0.06 0.05 0.00 -1.11 0.00 0.00 59.98 59.04 1r9y h ARG 260 Cb 0.20 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.06 1r9y h ARG 260 CO -0.02 0.38 0.39 1.25 -3.11 0.00 0.00 179.97 178.87 1r9y h LEU 261 N 0.16 0.61 -1.78 3.80 5.85 -0.42 -2.77 115.31 120.75 1r9y h LEU 261 Ca 0.07 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.96 1r9y h LEU 261 Cb 0.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1r9y h LEU 261 CO -0.00 0.40 0.45 -0.26 -0.34 0.00 0.00 178.44 178.68 1r9y h PHE 262 N 0.74 0.26 -0.29 1.25 0.05 -0.90 -0.30 116.94 117.75 1r9y h PHE 262 Ca 0.30 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 62.09 1r9y h PHE 262 Cb 0.14 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 1r9y h PHE 262 CO -0.07 0.10 0.17 -0.09 -0.18 0.00 0.00 178.31 178.24 1r9y h ARG 263 N 0.22 0.40 -0.49 1.51 2.43 -1.54 -1.16 114.38 115.76 1r9y h ARG 263 Ca 0.32 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 1r9y h ARG 263 Cb 0.93 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1r9y h ARG 263 CO -0.06 0.32 0.10 1.25 -1.51 0.00 0.00 179.97 180.07 1r9y h LEU 264 N 0.37 0.77 -0.74 3.80 5.85 -1.22 -1.61 115.31 122.52 1r9y h LEU 264 Ca 0.10 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1r9y h LEU 264 Cb 0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1r9y h LEU 264 CO -0.02 0.82 0.45 -0.07 -0.34 0.00 0.00 178.44 179.28 1r9y h LEU 265 N 0.68 0.71 -0.06 2.25 3.38 -0.77 0.12 115.31 121.62 1r9y h LEU 265 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1r9y h LEU 265 Cb 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r9y h LEU 265 CO 0.01 0.47 -0.00 0.50 0.09 0.00 0.00 178.44 179.51 1r9y h LYS 266 N 0.85 0.10 -0.67 1.13 1.63 -1.09 -2.90 116.57 115.62 1r9y h LYS 266 Ca 0.31 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1r9y h LYS 266 Cb 0.10 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1r9y h LYS 266 CO -0.14 0.39 0.44 0.52 -3.45 0.00 0.00 179.45 177.21 1r9y h MET 267 N -0.20 0.86 0.00 1.90 2.86 -0.91 -2.78 114.93 116.67 1r9y h MET 267 Ca 0.02 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1r9y h MET 267 Cb 0.34 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1r9y h MET 267 CO 0.00 0.57 -0.51 0.66 1.06 0.00 0.00 176.91 178.70 1r9y h SER 268 N 0.89 0.00 -0.08 1.22 4.64 -0.71 -3.48 113.55 116.03 1r9y h SER 268 Ca 0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1r9y h SER 268 Cb -0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1r9y h SER 268 CO -0.06 0.51 -0.03 0.61 -0.87 0.00 0.00 176.83 176.99 1r9y n GLY 269 N -0.07 0.50 3.82 -0.77 0.00 -1.05 -3.77 105.19 103.84 1r9y n GLY 269 Ca -0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1r9y n GLY 269 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r9y s ILE 270 N -1.86 3.44 0.16 -0.61 -4.36 -1.25 -3.90 121.20 112.83 1r9y s ILE 270 Ca 0.00 0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.88 1r9y s ILE 270 Cb 0.00 -3.23 -0.03 0.00 1.25 0.00 0.00 42.46 40.44 1r9y s ILE 270 CO 0.00 -0.61 0.30 0.20 0.24 0.00 0.00 174.94 175.07 1r9y s ASN 271 N -3.91 6.34 -0.03 4.36 0.01 0.04 -4.46 114.94 117.30 1r9y s ASN 271 Ca 0.60 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.96 1r9y s ASN 271 Cb -0.14 -1.91 -0.00 0.00 0.41 0.00 0.00 41.25 39.61 1r9y s ASN 271 CO 0.54 0.03 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.67 1r9y s PHE 272 N -1.77 1.35 -0.11 2.20 0.08 -0.37 -0.27 117.98 119.09 1r9y s PHE 272 Ca 0.35 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1r9y s PHE 272 Cb -0.11 -0.91 -0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1r9y s PHE 272 CO 0.29 -0.10 -0.22 0.08 -0.10 0.00 0.00 175.22 175.17 1r9y s VAL 273 N -0.02 2.23 0.02 -0.44 1.01 -0.97 -1.28 120.40 120.96 1r9y s VAL 273 Ca -0.01 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1r9y s VAL 273 Cb -0.09 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1r9y s VAL 273 CO 0.01 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.55 1r9y s ALA 274 N 0.45 2.86 -0.64 5.51 0.00 -0.16 -0.45 121.76 129.33 1r9y s ALA 274 Ca -0.15 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1r9y s ALA 274 Cb -0.17 -0.98 0.18 0.00 0.00 0.00 0.00 23.12 22.14 1r9y s ALA 274 CO 0.06 0.60 0.49 0.09 0.00 0.00 0.00 175.76 177.00 1r9y n ASN 275 N 1.53 2.39 -0.29 0.00 3.02 -1.26 -1.27 115.26 119.39 1r9y n ASN 275 Ca -0.16 -3.07 0.04 0.00 -0.03 0.00 0.00 54.58 51.36 1r9y n ASN 275 Cb 0.52 -0.71 0.12 0.00 -0.61 0.00 0.00 39.78 39.11 1r9y n ASN 275 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1r9y h PRO 276 N 5.30 0.02 -0.50 3.52 0.11 -1.88 0.14 132.00 138.70 1r9y h PRO 276 Ca 0.17 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1r9y h PRO 276 Cb 0.78 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1r9y h PRO 276 CO 0.66 0.01 0.21 -0.07 -0.21 0.00 0.00 178.00 178.60 1r9y h LEU 277 N 0.02 0.69 0.22 2.35 3.38 -1.86 -2.30 115.31 117.82 1r9y h LEU 277 Ca 0.41 -0.16 -0.33 0.00 0.09 0.00 0.00 57.88 57.89 1r9y h LEU 277 Cb 0.66 -0.18 0.03 0.00 0.09 0.00 0.00 40.66 41.26 1r9y h LEU 277 CO -0.82 0.67 -1.48 0.58 0.09 0.00 0.00 178.44 177.47 1r9y h VAL 278 N 0.67 1.26 -0.60 1.22 2.07 -1.71 -3.24 116.25 115.92 1r9y h VAL 278 Ca 0.17 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 1r9y h VAL 278 Cb 0.19 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1r9y h VAL 278 CO -0.01 0.83 0.36 0.78 0.02 0.00 0.00 177.57 179.55 1r9y h ASN 279 N 0.13 0.73 0.38 0.57 -0.26 -0.75 0.25 115.58 116.62 1r9y h ASN 279 Ca -0.25 -0.06 -0.06 0.00 -0.56 0.00 0.00 56.30 55.37 1r9y h ASN 279 Cb 2.12 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 39.19 1r9y h ASN 279 CO 0.25 0.58 -0.30 -0.29 -1.06 0.00 0.00 177.43 176.60 1r9y h ILE 280 N 0.82 1.10 0.01 2.81 6.09 -1.54 -0.53 117.51 126.26 1r9y h ILE 280 Ca 0.22 -1.08 -0.02 0.00 -1.37 0.00 0.00 64.86 62.61 1r9y h ILE 280 Cb -0.01 1.60 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1r9y h ILE 280 CO -0.04 0.30 -0.07 -0.74 -3.07 0.00 0.00 178.15 174.52 1r9y h HIS 281 N 0.00 0.06 0.00 2.19 2.76 -1.39 -3.39 115.15 115.37 1r9y h HIS 281 Ca -0.00 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1r9y h HIS 281 Cb 0.58 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 1r9y h HIS 281 CO 0.00 0.95 -1.01 -0.07 -1.30 0.00 0.00 177.93 176.51 1r9y h LEU 282 N -0.85 0.00-10.36 0.26 3.38 -0.51 -3.46 115.31 103.76 1r9y h LEU 282 Ca -0.01 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.47 1r9y h LEU 282 Cb 0.98 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.77 1r9y h LEU 282 CO 0.01 0.15 0.18 -1.10 0.09 0.00 0.00 178.44 177.77 1r9y s GLN 283 N -3.23 3.31 0.00 1.13 -1.52 -0.21 -4.08 119.66 115.06 1r9y s GLN 283 Ca -0.00 0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.60 1r9y s GLN 283 Cb 0.09 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 1r9y s GLN 283 CO 0.78 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 1r9y n GLY 284 N -2.45 0.33 0.04 3.09 0.00 -1.26 -4.88 105.19 100.06 1r9y n GLY 284 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1r9y n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9y n ARG 285 N -1.58 0.08 0.00 1.61 5.12 -1.26 -2.50 116.66 118.12 1r9y n ARG 285 Ca 0.00 0.23 0.10 0.00 -1.93 0.00 0.00 57.85 56.25 1r9y n ARG 285 Cb 0.17 -1.63 0.04 0.00 -1.16 0.00 0.00 32.46 29.89 1r9y n ARG 285 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1r9y n PHE 286 N -1.77 0.00 -2.78 -1.55 3.01 -1.26 -4.92 117.46 108.18 1r9y n PHE 286 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.21 1r9y n PHE 286 Cb 0.26 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.71 1r9y n PHE 286 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1r9y s ASP 287 N -2.06 6.42 0.00 4.37 1.01 -1.04 -5.05 116.67 120.31 1r9y s ASP 287 Ca 0.21 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.51 1r9y s ASP 287 Cb 0.17 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1r9y s ASP 287 CO 0.40 -0.46 0.00 0.35 0.21 0.00 0.00 175.17 175.66 1r9y n THR 288 N -1.66 0.00 -3.76 -1.27 -2.24 -1.26 -4.98 114.28 99.11 1r9y n THR 288 Ca 0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1r9y n THR 288 Cb 0.54 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.42 1r9y n THR 288 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1r9y s TYR 289 N 0.50 -0.23 0.89 4.78 2.02 -1.26 -4.19 117.35 119.85 1r9y s TYR 289 Ca 0.00 0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 57.17 1r9y s TYR 289 Cb 0.00 0.01 0.12 0.00 -0.40 0.00 0.00 41.96 41.70 1r9y s TYR 289 CO 0.00 -0.16 1.09 -1.25 -1.57 0.00 0.00 175.55 173.66 1r9y s PRO 290 N 0.80 1.32 -0.14 -1.71 0.04 -1.26 -5.16 135.00 128.89 1r9y s PRO 290 Ca -0.06 0.97 0.02 0.00 0.04 0.00 0.00 61.00 61.97 1r9y s PRO 290 Cb -0.07 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1r9y s PRO 290 CO -0.04 -2.24 -0.19 0.21 0.04 0.00 0.00 177.00 174.78 1r9y s LYS 291 N -4.87 3.13 0.63 4.56 2.20 -1.26 -4.91 119.74 119.22 1r9y s LYS 291 Ca 0.64 -0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 55.30 1r9y s LYS 291 Cb -0.19 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.60 1r9y s LYS 291 CO 0.57 0.03 1.07 -0.98 -0.36 0.00 0.00 175.35 175.68 1r9y s ARG 292 N 0.75 3.10 0.03 4.03 1.70 -1.26 -4.97 118.95 122.33 1r9y s ARG 292 Ca -0.07 1.21 -0.19 0.00 -0.47 0.00 0.00 55.73 56.21 1r9y s ARG 292 Cb -0.16 -2.00 -0.19 0.00 -0.57 0.00 0.00 34.95 32.04 1r9y s ARG 292 CO 0.00 -0.99 1.21 0.00 -1.08 0.00 0.00 175.30 174.45 1r9y h ARG 293 N 0.12 0.47 0.00 3.89 3.08 -1.97 -3.39 114.38 116.58 1r9y h ARG 293 Ca -0.46 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.21 1r9y h ARG 293 Cb 1.23 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1r9y h ARG 293 CO 0.56 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.89 1r9y n GLY 294 N 0.72 0.47 3.90 0.04 0.00 -1.26 -4.41 105.19 104.65 1r9y n GLY 294 Ca -0.08 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1r9y n GLY 294 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9y s ILE 295 N -2.00 5.37 1.26 -0.61 1.09 -1.26 -4.66 121.20 120.40 1r9y s ILE 295 Ca 0.00 -0.12 -0.16 0.00 -1.10 0.00 0.00 60.65 59.27 1r9y s ILE 295 Cb 0.00 -3.57 0.32 0.00 -1.06 0.00 0.00 42.46 38.15 1r9y s ILE 295 CO 0.00 0.27 0.99 0.28 -0.10 0.00 0.00 174.94 176.38 1r9y s THR 296 N -1.39 1.75 -1.43 2.92 -1.32 -1.26 -4.32 115.64 110.59 1r9y s THR 296 Ca 0.30 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1r9y s THR 296 Cb -0.13 -2.06 -0.06 0.00 -1.51 0.00 0.00 72.50 68.75 1r9y s THR 296 CO 0.21 0.00 2.59 0.54 -2.21 0.00 0.00 174.62 175.75 1r9y n ARG 297 N -5.20 3.12 -0.00 7.08 1.74 -1.26 -4.73 116.66 117.41 1r9y n ARG 297 Ca 0.05 -2.17 -0.09 0.00 -0.77 0.00 0.00 57.85 54.88 1r9y n ARG 297 Cb 0.56 -2.88 -0.03 0.00 -1.02 0.00 0.00 32.46 29.09 1r9y n ARG 297 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1r9y h VAL 298 N 3.40 0.70 -0.45 1.55 2.07 -1.96 -1.06 116.25 120.50 1r9y h VAL 298 Ca 0.72 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.28 1r9y h VAL 298 Cb 0.37 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1r9y h VAL 298 CO 1.77 0.00 0.22 0.50 0.02 0.00 0.00 177.57 180.08 1r9y h LYS 299 N -0.12 0.42 -0.32 1.57 3.64 -1.85 -1.02 116.57 118.88 1r9y h LYS 299 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1r9y h LYS 299 Cb 0.24 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1r9y h LYS 299 CO -0.20 0.28 -0.16 0.93 -2.27 0.00 0.00 179.45 178.02 1r9y h GLU 300 N 0.43 0.58 -0.43 1.90 3.07 -1.91 -1.29 114.58 116.92 1r9y h GLU 300 Ca 0.20 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1r9y h GLU 300 Cb 0.12 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1r9y h GLU 300 CO -0.15 0.72 0.16 0.52 -1.40 0.00 0.00 179.01 178.85 1r9y h MET 301 N 0.52 0.65 -0.66 2.33 2.86 -0.61 -0.88 114.93 119.15 1r9y h MET 301 Ca 0.09 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1r9y h MET 301 Cb 0.58 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1r9y h MET 301 CO 0.04 0.62 0.36 -0.07 1.06 0.00 0.00 176.91 178.91 1r9y h LEU 302 N 0.55 0.82 -1.67 1.22 3.38 -0.89 0.46 115.31 119.18 1r9y h LEU 302 Ca 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1r9y h LEU 302 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r9y h LEU 302 CO -0.01 0.68 -0.19 -0.33 0.09 0.00 0.00 178.44 178.68 1r9y h GLU 303 N 0.90 0.00 -0.02 1.13 5.08 -0.96 -2.41 114.58 118.30 1r9y h GLU 303 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1r9y h GLU 303 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r9y h GLU 303 CO -0.04 0.19 -0.01 0.43 -1.00 0.00 0.00 179.01 178.59 1r9y n SER 304 N -4.00 2.15 -0.45 1.42 7.64 -0.36 -4.95 113.62 115.07 1r9y n SER 304 Ca -0.02 -1.71 -0.05 0.00 1.01 0.00 0.00 58.87 58.10 1r9y n SER 304 Cb 0.27 0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1r9y n SER 304 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r9y n GLY 305 N 1.26 0.65 3.72 0.23 0.00 -0.44 -4.99 105.19 105.61 1r9y n GLY 305 Ca 0.17 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1r9y n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9y s ILE 306 N -2.21 5.15 -0.11 -0.61 1.01 0.02 -5.02 121.20 119.44 1r9y s ILE 306 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 1r9y s ILE 306 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1r9y s ILE 306 CO 0.00 0.32 1.54 0.21 0.00 0.00 0.00 174.94 177.01 1r9y s ASN 307 N 0.62 6.70 0.02 3.58 3.04 -1.26 -4.25 114.94 123.40 1r9y s ASN 307 Ca 0.29 2.01 0.02 0.00 0.04 0.00 0.00 52.86 55.22 1r9y s ASN 307 Cb -0.16 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.00 1r9y s ASN 307 CO 0.12 -0.92 -0.08 0.54 -3.04 0.00 0.00 177.10 173.72 1r9y s VAL 308 N 4.05 0.57 0.28 -5.21 0.11 -1.26 -1.23 120.40 117.70 1r9y s VAL 308 Ca 0.68 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1r9y s VAL 308 Cb -0.29 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1r9y s VAL 308 CO 0.25 -0.15 0.44 0.00 -3.33 0.00 0.00 175.10 172.32 1r9y s PHE 310 N -3.60 2.70 0.28 0.00 0.08 -0.47 -0.99 117.98 115.97 1r9y s PHE 310 Ca 0.28 -0.26 0.11 0.00 0.12 0.00 0.00 56.93 57.18 1r9y s PHE 310 Cb 0.00 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1r9y s PHE 310 CO 0.14 0.11 -0.16 0.20 -0.10 0.00 0.00 175.22 175.40 1r9y s GLY 311 N -0.55 1.89 0.07 4.36 0.00 -0.40 -4.47 107.32 108.22 1r9y s GLY 311 Ca 0.08 -1.90 0.10 0.00 0.00 0.00 0.00 44.72 43.00 1r9y s GLY 311 CO 0.01 -1.95 1.04 0.84 0.00 0.00 0.00 173.10 173.04 1r9y h HIS 312 N 2.25 0.00 0.00 1.90 2.76 -1.88 -3.38 115.15 116.80 1r9y h HIS 312 Ca -0.40 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1r9y h HIS 312 Cb 1.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1r9y h HIS 312 CO 0.78 0.95 0.00 -3.47 -1.30 0.00 0.00 177.93 174.89 1r9y n ASP 313 N -3.21 0.00 -4.08 3.26 -0.08 0.12 -4.55 116.55 108.01 1r9y n ASP 313 Ca -0.07 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.07 1r9y n ASP 313 Cb 0.96 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 44.31 1r9y n ASP 313 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1r9y s ALA 314 N 0.00 0.72 -0.13 -1.67 0.00 -1.26 -0.83 121.76 118.59 1r9y s ALA 314 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1r9y s ALA 314 Cb 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1r9y s ALA 314 CO 0.00 0.05 0.00 0.08 0.00 0.00 0.00 175.76 175.89 1r9y s VAL 315 N -1.21 0.53 -1.27 0.00 1.01 -1.26 -4.88 120.40 113.32 1r9y s VAL 315 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1r9y s VAL 315 Cb -0.09 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1r9y s VAL 315 CO 0.01 0.09 0.78 0.33 0.00 0.00 0.00 175.10 176.31 1r9y n PHE 316 N 5.08 -1.99 -4.39 5.22 -0.00 -0.35 -2.11 117.46 118.92 1r9y n PHE 316 Ca -0.09 0.86 -0.21 0.00 -0.00 0.00 0.00 57.45 58.02 1r9y n PHE 316 Cb 0.49 -4.56 -0.06 0.00 -0.00 0.00 0.00 39.48 35.34 1r9y n PHE 316 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1r9y n ASP 317 N -3.07 0.79 0.27 -2.13 5.68 -0.19 -1.60 116.55 116.30 1r9y n ASP 317 Ca -0.29 -2.89 0.14 0.00 -0.50 0.00 0.00 54.79 51.24 1r9y n ASP 317 Cb 0.67 1.02 0.84 0.00 -1.14 0.00 0.00 41.12 42.51 1r9y n ASP 317 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1r9y h PRO 318 N 0.00 0.00 0.00 0.11 0.11 -1.86 -2.66 132.00 127.70 1r9y h PRO 318 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1r9y h PRO 318 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1r9y h PRO 318 CO 0.41 0.00 -0.92 0.91 -0.21 0.00 0.00 178.00 178.19 1r9y n TRP 319 N -4.00 0.67 -3.15 0.65 8.01 -1.26 -4.49 117.44 113.86 1r9y n TRP 319 Ca -0.02 0.19 0.04 0.00 -1.31 0.00 0.00 57.50 56.40 1r9y n TRP 319 Cb 0.14 -0.74 -0.00 0.00 -2.01 0.00 0.00 31.31 28.69 1r9y n TRP 319 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1r9y s TYR 320 N -3.27 -1.83 -0.69 -5.99 5.04 -1.03 -4.94 117.35 104.65 1r9y s TYR 320 Ca 0.02 1.16 0.22 0.00 -2.44 0.00 0.00 57.07 56.03 1r9y s TYR 320 Cb 0.12 0.34 0.88 0.00 0.35 0.00 0.00 41.96 43.65 1r9y s TYR 320 CO 0.77 -1.06 1.66 -0.35 -1.34 0.00 0.00 175.55 175.23 1r9y n PRO 321 N 5.42 0.14 -0.97 4.97 -0.04 -1.07 -1.02 135.00 142.42 1r9y n PRO 321 Ca 0.04 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1r9y n PRO 321 Cb 0.54 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1r9y n PRO 321 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r9y n LEU 322 N -1.99 0.00 0.00 1.53 4.77 -1.26 -4.20 117.00 115.85 1r9y n LEU 322 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1r9y n LEU 322 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1r9y n LEU 322 CO 0.20 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1r9y n GLY 323 N 5.00 2.29 0.32 -0.72 0.00 -1.26 -1.21 105.19 109.62 1r9y n GLY 323 Ca 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.35 1r9y n GLY 323 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r9y n THR 324 N 1.74 0.84 -3.59 2.61 -2.24 -1.26 -4.66 114.28 107.72 1r9y n THR 324 Ca 0.00 -1.03 -0.24 0.00 -2.27 0.00 0.00 64.05 60.51 1r9y n THR 324 Cb 0.00 0.18 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 1r9y n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r9y n ALA 325 N -0.63 -1.29 -2.78 6.98 0.00 -1.26 -4.77 120.51 116.76 1r9y n ALA 325 Ca 0.07 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.52 1r9y n ALA 325 Cb 0.68 -5.44 -0.11 0.00 0.00 0.00 0.00 19.45 14.58 1r9y n ALA 325 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1r9y s ASN 326 N -3.29 5.69 0.33 0.00 2.47 -1.26 -4.66 114.94 114.22 1r9y s ASN 326 Ca 0.58 -0.45 0.09 0.00 0.42 0.00 0.00 52.86 53.50 1r9y s ASN 326 Cb -0.26 -2.04 0.59 0.00 -1.45 0.00 0.00 41.25 38.09 1r9y s ASN 326 CO 0.72 -0.19 1.78 0.24 -3.72 0.00 0.00 177.10 175.93 1r9y h MET 327 N 8.38 0.18 0.00 0.43 2.86 -1.93 -2.12 114.93 122.72 1r9y h MET 327 Ca -0.32 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1r9y h MET 327 Cb 1.15 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1r9y h MET 327 CO 0.61 0.50 -0.21 -0.07 1.06 0.00 0.00 176.91 178.81 1r9y h LEU 328 N 0.16 0.00 -0.02 1.22 3.38 -1.95 0.60 115.31 118.70 1r9y h LEU 328 Ca 0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1r9y h LEU 328 Cb 0.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.45 1r9y h LEU 328 CO 0.05 0.21 -0.96 -0.61 0.09 0.00 0.00 178.44 177.21 1r9y h GLN 329 N 0.00 0.69 -0.29 1.13 4.15 -1.81 -0.97 115.11 118.01 1r9y h GLN 329 Ca -0.00 -0.71 -0.00 0.00 0.77 0.00 0.00 58.65 58.70 1r9y h GLN 329 Cb 0.54 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1r9y h GLN 329 CO 0.03 1.30 0.17 0.28 -1.93 0.00 0.00 178.83 178.67 1r9y h VAL 330 N 0.36 1.11 -0.51 2.39 2.07 -0.96 -2.29 116.25 118.42 1r9y h VAL 330 Ca -0.12 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1r9y h VAL 330 Cb 1.62 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1r9y h VAL 330 CO 0.19 0.11 0.33 0.25 0.02 0.00 0.00 177.57 178.48 1r9y h LEU 331 N 0.36 0.57 -0.35 2.57 5.85 -0.86 -1.35 115.31 122.10 1r9y h LEU 331 Ca 0.10 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1r9y h LEU 331 Cb 0.04 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1r9y h LEU 331 CO -0.02 0.41 0.00 -0.74 -0.34 0.00 0.00 178.44 177.75 1r9y h HIS 332 N 0.68 -0.02 -0.23 1.25 2.76 -0.96 -0.08 115.15 118.55 1r9y h HIS 332 Ca 0.19 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1r9y h HIS 332 Cb -0.06 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1r9y h HIS 332 CO -0.04 -0.06 0.14 1.98 -1.30 0.00 0.00 177.93 178.64 1r9y h MET 333 N 0.10 0.32 -0.88 5.26 1.85 -0.94 -2.75 114.93 117.88 1r9y h MET 333 Ca 0.17 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.24 1r9y h MET 333 Cb 0.23 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 1r9y h MET 333 CO -0.28 0.27 0.58 0.78 -0.40 0.00 0.00 176.91 177.86 1r9y h GLY 334 N 0.28 1.24 1.18 1.39 0.00 -0.75 -1.20 103.07 105.21 1r9y h GLY 334 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1r9y h GLY 334 CO -0.01 0.44 0.41 1.41 0.00 0.00 0.00 176.54 178.79 1r9y h LEU 335 N 1.18 0.97 0.16 3.11 3.38 -0.88 -0.51 115.31 122.72 1r9y h LEU 335 Ca 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1r9y h LEU 335 Cb -0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1r9y h LEU 335 CO -0.08 0.78 -0.08 0.45 0.09 0.00 0.00 178.44 179.61 1r9y h HIS 336 N 1.08 -0.20 -0.21 1.13 3.86 -1.17 0.12 115.15 119.77 1r9y h HIS 336 Ca 0.27 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 1r9y h HIS 336 Cb 0.04 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1r9y h HIS 336 CO 0.01 0.22 -0.20 0.28 0.86 0.00 0.00 177.93 179.10 1r9y h VAL 337 N -0.70 1.24 -0.04 2.45 2.07 -1.17 -2.49 116.25 117.61 1r9y h VAL 337 Ca -0.02 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1r9y h VAL 337 Cb 0.50 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1r9y h VAL 337 CO 0.04 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1r9y n GLN 339 N 0.12 -5.10 -3.02 0.00 6.02 -0.77 -4.76 117.38 109.88 1r9y n GLN 339 Ca 0.19 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 1r9y n GLN 339 Cb 0.33 -5.26 -0.01 0.00 1.02 0.00 0.00 30.24 26.33 1r9y n GLN 339 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1r9y n LEU 340 N -4.40 6.01 -0.66 1.08 4.77 -0.04 -4.76 117.00 119.01 1r9y n LEU 340 Ca -0.21 -5.31 0.06 0.00 -0.03 0.00 0.00 56.01 50.52 1r9y n LEU 340 Cb 0.64 -1.11 0.17 0.00 -2.33 0.00 0.00 43.42 40.78 1r9y n LEU 340 CO 0.70 1.85 0.64 0.23 -1.33 0.00 0.00 177.39 179.48 1r9y n MET 341 N 0.93 2.88 -1.85 3.23 2.81 -1.26 -3.98 117.12 119.89 1r9y n MET 341 Ca 0.30 -2.17 -0.31 0.00 -1.81 0.00 0.00 57.70 53.71 1r9y n MET 341 Cb 0.34 -1.36 0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1r9y n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1r9y s GLY 342 N -1.16 1.80 0.14 3.03 0.00 -1.26 -4.85 107.32 105.02 1r9y s GLY 342 Ca 0.26 0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.85 1r9y s GLY 342 CO 0.14 0.39 1.65 -1.82 0.00 0.00 0.00 173.10 173.46 1r9y h TYR 343 N -0.18 -0.52 -0.74 1.90 3.20 -1.99 -0.87 116.97 117.77 1r9y h TYR 343 Ca -0.45 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 1r9y h TYR 343 Cb 1.20 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.69 1r9y h TYR 343 CO 0.63 -0.28 0.36 0.78 -1.64 0.00 0.00 178.16 178.01 1r9y h GLY 344 N -0.24 1.13 1.02 1.82 0.00 -1.98 0.22 103.07 105.03 1r9y h GLY 344 Ca 0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1r9y h GLY 344 CO -0.29 0.52 0.33 1.46 0.00 0.00 0.00 176.54 178.55 1r9y h GLN 345 N 1.05 1.08 -0.15 4.80 4.20 -1.73 0.64 115.11 125.00 1r9y h GLN 345 Ca 0.26 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1r9y h GLN 345 Cb 0.10 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1r9y h GLN 345 CO -0.03 0.86 -0.17 0.82 -0.67 0.00 0.00 178.83 179.63 1r9y h ILE 346 N 1.04 1.35 -0.79 2.54 2.04 -0.79 -2.34 117.51 120.56 1r9y h ILE 346 Ca 0.25 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.76 1r9y h ILE 346 Cb 0.16 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1r9y h ILE 346 CO -0.03 0.40 0.52 -1.13 0.00 0.00 0.00 178.15 177.92 1r9y h ASN 347 N 0.01 0.90 0.55 1.72 -1.24 -0.76 -0.86 115.58 115.90 1r9y h ASN 347 Ca 0.02 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1r9y h ASN 347 Cb 0.72 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1r9y h ASN 347 CO 0.04 0.65 0.00 0.47 -1.29 0.00 0.00 177.43 177.30 1r9y n ASP 348 N -4.54 0.00 -0.15 1.15 8.00 0.20 -3.81 116.55 117.40 1r9y n ASP 348 Ca 0.08 0.07 0.23 0.00 0.71 0.00 0.00 54.79 55.88 1r9y n ASP 348 Cb 0.03 -0.34 0.64 0.00 -0.02 0.00 0.00 41.12 41.43 1r9y n ASP 348 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1r9y h GLY 349 N 4.12 0.30 1.15 0.44 0.00 -0.57 -1.22 103.07 107.28 1r9y h GLY 349 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.39 1r9y h GLY 349 CO 0.00 0.00 0.31 1.41 0.00 0.00 0.00 176.54 178.26 1r9y h LEU 350 N 0.14 0.00 -1.82 3.11 3.38 -1.75 -0.15 115.31 118.22 1r9y h LEU 350 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1r9y h LEU 350 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1r9y h LEU 350 CO -0.06 0.00 0.12 0.78 0.09 0.00 0.00 178.44 179.37 1r9y h ASN 351 N 0.00 0.21 0.60 -0.43 2.35 -1.53 -1.45 115.58 115.32 1r9y h ASN 351 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1r9y h ASN 351 Cb 0.82 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1r9y h ASN 351 CO -0.00 0.15 0.00 0.18 -1.65 0.00 0.00 177.43 176.11 1r9y n LEU 352 N -4.51 0.63 -0.02 1.61 4.77 -0.07 -1.24 117.00 118.17 1r9y n LEU 352 Ca -0.00 0.67 0.01 0.00 -0.03 0.00 0.00 56.01 56.66 1r9y n LEU 352 Cb 0.08 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1r9y n LEU 352 CO 0.35 -0.61 0.45 2.30 -1.33 0.00 0.00 177.39 178.54 1r9y n ILE 353 N -2.21 0.87 0.00 -0.08 -5.35 -0.61 -1.37 119.36 110.60 1r9y n ILE 353 Ca 0.02 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 1r9y n ILE 353 Cb 0.19 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1r9y n ILE 353 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1r9y n THR 354 N -0.49 0.00 -0.21 7.28 -2.24 -0.80 -2.03 114.28 115.80 1r9y n THR 354 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1r9y n THR 354 Cb 0.36 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.70 1r9y n THR 354 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1r9y h HIS 355 N 0.00 0.43 -0.32 4.78 3.86 -1.78 -0.71 115.15 121.42 1r9y h HIS 355 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 1r9y h HIS 355 Cb 0.00 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1r9y h HIS 355 CO 0.00 0.11 -0.09 0.45 0.86 0.00 0.00 177.93 179.27 1r9y h HIS 356 N 0.44 0.56 -0.09 2.45 3.86 -1.49 -1.89 115.15 118.99 1r9y h HIS 356 Ca 0.32 -0.08 -0.17 0.00 -1.16 0.00 0.00 60.37 59.28 1r9y h HIS 356 Cb 0.39 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1r9y h HIS 356 CO -0.16 0.61 -0.67 0.77 0.86 0.00 0.00 177.93 179.34 1r9y h SER 357 N 0.49 0.42 -0.56 2.45 0.02 -1.51 -1.89 113.55 112.97 1r9y h SER 357 Ca 0.10 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1r9y h SER 357 Cb 0.45 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1r9y h SER 357 CO 0.02 0.97 0.14 0.00 -1.14 0.00 0.00 176.83 176.82 1r9y h ALA 358 N 1.03 1.11 -0.56 3.77 0.00 -0.77 -1.55 119.26 122.28 1r9y h ALA 358 Ca -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1r9y h ALA 358 Cb 1.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1r9y h ALA 358 CO 0.11 0.60 0.12 -0.09 0.00 0.00 0.00 179.25 179.99 1r9y h ARG 359 N 0.90 0.91 -0.75 0.00 2.43 -1.12 -1.48 114.38 115.28 1r9y h ARG 359 Ca 0.19 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1r9y h ARG 359 Cb 0.33 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1r9y h ARG 359 CO 0.00 0.86 0.49 1.15 -1.51 0.00 0.00 179.97 180.97 1r9y h THR 360 N 0.81 1.13 -0.08 0.20 2.02 -0.85 -0.76 112.91 115.38 1r9y h THR 360 Ca 0.17 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1r9y h THR 360 Cb 0.37 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1r9y h THR 360 CO 0.01 0.17 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1r9y n LEU 361 N -4.45 1.06 -3.78 2.58 4.32 -0.63 -4.88 117.00 111.23 1r9y n LEU 361 Ca 0.09 -0.42 -0.27 0.00 -0.02 0.00 0.00 56.01 55.39 1r9y n LEU 361 Cb 0.10 -0.05 0.05 0.00 -1.62 0.00 0.00 43.42 41.89 1r9y n LEU 361 CO 0.35 0.21 0.15 -3.20 -1.22 0.00 0.00 177.39 173.68 1r9y n ASN 362 N -0.10 -5.08 -4.76 -1.43 5.15 -0.29 -4.93 115.26 103.82 1r9y n ASN 362 Ca 0.17 -0.69 -0.41 0.00 -0.60 0.00 0.00 54.58 53.05 1r9y n ASN 362 Cb 0.25 -4.33 -0.03 0.00 -0.53 0.00 0.00 39.78 35.13 1r9y n ASN 362 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r9y s LEU 363 N -7.24 4.49 0.00 1.20 1.43 -0.63 -4.95 118.68 112.98 1r9y s LEU 363 Ca 0.58 2.38 0.15 0.00 -1.03 0.00 0.00 54.13 56.21 1r9y s LEU 363 Cb -0.28 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1r9y s LEU 363 CO 0.79 -0.32 0.73 0.00 0.23 0.00 0.00 176.35 177.78 1r9y n GLN 364 N 1.47 1.95 -3.52 1.70 1.13 -1.26 -4.71 117.38 114.15 1r9y n GLN 364 Ca 0.01 -0.42 -0.27 0.00 -1.94 0.00 0.00 57.00 54.38 1r9y n GLN 364 Cb 0.44 -1.22 -0.10 0.00 0.11 0.00 0.00 30.24 29.46 1r9y n GLN 364 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1r9y n ASP 365 N -0.70 0.58 -3.71 1.08 4.64 -1.26 -5.08 116.55 112.09 1r9y n ASP 365 Ca 0.05 -2.64 -0.11 0.00 -1.38 0.00 0.00 54.79 50.71 1r9y n ASP 365 Cb 0.28 -0.61 -0.11 0.00 -1.04 0.00 0.00 41.12 39.63 1r9y n ASP 365 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1r9y s TYR 366 N -0.48 -0.52 0.00 -0.67 6.14 -1.26 -4.82 117.35 115.74 1r9y s TYR 366 Ca 0.31 1.15 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1r9y s TYR 366 Cb 0.03 0.21 0.00 0.00 0.42 0.00 0.00 41.96 42.62 1r9y s TYR 366 CO -0.18 -0.30 0.00 0.41 0.64 0.00 0.00 175.55 176.12 1r9y n GLY 367 N 4.00 3.52 3.51 8.97 0.00 -1.26 -4.94 105.19 119.00 1r9y n GLY 367 Ca -0.22 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1r9y n GLY 367 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r9y s ILE 368 N -2.27 4.27 -0.04 -0.61 -1.09 -1.26 -4.84 121.20 115.35 1r9y s ILE 368 Ca 0.00 -1.12 -0.12 0.00 -2.23 0.00 0.00 60.65 57.18 1r9y s ILE 368 Cb 0.00 -4.94 0.02 0.00 -1.58 0.00 0.00 42.46 35.96 1r9y s ILE 368 CO 0.00 -1.75 0.27 0.00 -1.23 0.00 0.00 174.94 172.23 1r9y s ALA 369 N 3.98 -0.68 0.25 9.38 0.00 -1.26 -5.09 121.76 128.34 1r9y s ALA 369 Ca 0.40 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 1r9y s ALA 369 Cb -0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 1r9y s ALA 369 CO -0.10 -0.21 1.53 0.00 0.00 0.00 0.00 175.76 176.98 1r9y n ALA 370 N 1.86 1.92 0.00 0.00 0.00 -1.26 -1.91 120.51 121.12 1r9y n ALA 370 Ca -0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1r9y n ALA 370 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1r9y n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r9y n GLY 371 N 2.41 3.11 3.86 0.00 0.00 0.51 -5.00 105.19 110.08 1r9y n GLY 371 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1r9y n GLY 371 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r9y s ASN 372 N -0.24 6.38 0.61 1.61 0.01 -0.80 -4.79 114.94 117.72 1r9y s ASN 372 Ca 0.00 1.45 -0.19 0.00 -0.71 0.00 0.00 52.86 53.41 1r9y s ASN 372 Cb 0.00 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1r9y s ASN 372 CO 0.00 -0.74 1.29 -0.44 -1.51 0.00 0.00 177.10 175.69 1r9y s SER 373 N -3.74 4.89 -1.40 -1.22 0.01 -1.26 -0.74 113.70 110.23 1r9y s SER 373 Ca 0.56 2.60 -0.15 0.00 1.31 0.00 0.00 55.95 60.26 1r9y s SER 373 Cb -0.11 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.55 1r9y s SER 373 CO 0.45 -1.81 2.09 0.00 0.41 0.00 0.00 173.24 174.38 1r9y n ALA 374 N -1.63 4.96 -3.73 1.44 0.00 0.47 -4.55 120.51 117.46 1r9y n ALA 374 Ca 0.14 -3.86 -0.34 0.00 0.00 0.00 0.00 53.44 49.38 1r9y n ALA 374 Cb 0.48 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.23 1r9y n ALA 374 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r9y s ASN 375 N 3.53 4.46 0.15 0.00 0.01 -1.26 -1.56 114.94 120.27 1r9y s ASN 375 Ca 0.49 -1.01 -0.23 0.00 -0.71 0.00 0.00 52.86 51.40 1r9y s ASN 375 Cb 0.11 -1.67 0.07 0.00 0.41 0.00 0.00 41.25 40.18 1r9y s ASN 375 CO -0.04 -0.17 0.63 -1.48 -1.51 0.00 0.00 177.10 174.53 1r9y s LEU 376 N 1.29 -0.55 0.12 0.60 0.05 -0.17 -4.25 118.68 115.78 1r9y s LEU 376 Ca -0.02 -0.02 0.05 0.00 0.05 0.00 0.00 54.13 54.20 1r9y s LEU 376 Cb -0.18 2.56 -0.04 0.00 -2.05 0.00 0.00 46.19 46.48 1r9y s LEU 376 CO -0.04 -0.95 -0.12 0.27 -0.55 0.00 0.00 176.35 174.96 1r9y s ILE 377 N -3.70 1.19 -0.18 1.48 -4.36 0.02 -0.11 121.20 115.54 1r9y s ILE 377 Ca 0.02 -1.71 -0.00 0.00 -0.26 0.00 0.00 60.65 58.70 1r9y s ILE 377 Cb -0.01 -1.49 0.01 0.00 1.25 0.00 0.00 42.46 42.22 1r9y s ILE 377 CO -0.12 -0.48 -0.15 -0.63 0.24 0.00 0.00 174.94 173.79 1r9y s ILE 378 N -2.30 2.50 -0.14 8.37 1.01 -0.06 -1.94 121.20 128.65 1r9y s ILE 378 Ca 0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1r9y s ILE 378 Cb -0.04 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1r9y s ILE 378 CO 0.02 0.51 0.04 -0.76 0.00 0.00 0.00 174.94 174.75 1r9y s LEU 379 N 1.16 3.78 -1.48 2.97 1.43 -0.02 -0.95 118.68 125.57 1r9y s LEU 379 Ca 0.01 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 1r9y s LEU 379 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1r9y s LEU 379 CO -0.07 0.29 2.43 -0.81 0.23 0.00 0.00 176.35 178.42 1r9y n PRO 380 N 2.78 3.34 -3.69 1.29 -0.04 -1.26 -1.02 135.00 136.40 1r9y n PRO 380 Ca -0.18 -2.65 -0.10 0.00 -0.04 0.00 0.00 63.50 60.53 1r9y n PRO 380 Cb 0.53 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.89 1r9y n PRO 380 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r9y s ALA 381 N 2.22 -0.77 0.12 0.55 0.00 -1.26 -4.97 121.76 117.65 1r9y s ALA 381 Ca 0.54 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.47 1r9y s ALA 381 Cb 0.15 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.93 1r9y s ALA 381 CO -0.07 -0.58 1.44 0.93 0.00 0.00 0.00 175.76 177.48 1r9y h GLU 382 N 2.56 0.00 0.00 0.00 5.08 -1.88 -2.12 114.58 118.22 1r9y h GLU 382 Ca -0.34 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1r9y h GLU 382 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1r9y h GLU 382 CO 0.48 0.76 0.34 0.27 -1.00 0.00 0.00 179.01 179.87 1r9y n ASN 383 N -3.47 -1.26 -0.35 1.42 0.23 -1.26 -4.78 115.26 105.79 1r9y n ASN 383 Ca -0.00 -1.72 -0.03 0.00 -0.53 0.00 0.00 54.58 52.29 1r9y n ASN 383 Cb 0.78 2.06 0.10 0.00 -2.08 0.00 0.00 39.78 40.63 1r9y n ASN 383 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1r9y h GLY 384 N 1.31 1.37 0.98 4.83 0.00 -1.92 -1.54 103.07 108.10 1r9y h GLY 384 Ca -0.19 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1r9y h GLY 384 CO 0.25 0.55 0.04 -2.75 0.00 0.00 0.00 176.54 174.64 1r9y h PHE 385 N 1.30 0.08 -0.42 5.60 3.57 -1.77 -1.10 116.94 124.20 1r9y h PHE 385 Ca 0.34 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1r9y h PHE 385 Cb -0.05 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1r9y h PHE 385 CO 0.01 0.05 0.19 0.22 -2.23 0.00 0.00 178.31 176.54 1r9y h ASP 386 N 0.09 0.57 -0.66 0.41 3.58 -1.91 0.10 116.42 118.60 1r9y h ASP 386 Ca 0.03 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1r9y h ASP 386 Cb -0.00 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 1r9y h ASP 386 CO -0.02 0.56 0.43 0.00 -2.88 0.00 0.00 179.24 177.33 1r9y h ALA 387 N 1.03 0.84 -0.05 -0.78 0.00 -1.17 -1.51 119.26 117.62 1r9y h ALA 387 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r9y h ALA 387 Cb 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1r9y h ALA 387 CO -0.01 0.28 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1r9y h LEU 388 N 0.90 0.11 -0.48 0.00 7.12 -0.98 -1.03 115.31 120.94 1r9y h LEU 388 Ca 0.24 -0.40 0.03 0.00 0.13 0.00 0.00 57.88 57.88 1r9y h LEU 388 Cb -0.08 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 39.99 1r9y h LEU 388 CO -0.05 0.48 0.27 -0.09 -0.13 0.00 0.00 178.44 178.92 1r9y h ARG 389 N -0.27 0.51 -0.01 1.25 2.43 -0.65 -2.68 114.38 114.96 1r9y h ARG 389 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1r9y h ARG 389 Cb 0.44 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1r9y h ARG 389 CO 0.01 0.34 -0.01 0.54 -1.51 0.00 0.00 179.97 179.33 1r9y n ARG 390 N -4.85 1.52 -3.96 0.20 1.74 -0.58 -4.95 116.66 105.78 1r9y n ARG 390 Ca 0.03 -0.81 -0.32 0.00 -0.77 0.00 0.00 57.85 55.99 1r9y n ARG 390 Cb 0.10 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1r9y n ARG 390 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1r9y n GLN 391 N -0.03 -1.84 -2.18 5.56 1.13 -0.42 -4.89 117.38 114.70 1r9y n GLN 391 Ca 0.19 0.31 -0.35 0.00 -1.94 0.00 0.00 57.00 55.22 1r9y n GLN 391 Cb 0.32 -3.92 0.01 0.00 0.11 0.00 0.00 30.24 26.77 1r9y n GLN 391 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1r9y s VAL 392 N -3.81 3.17 0.92 5.09 -7.23 -1.02 -5.05 120.40 112.47 1r9y s VAL 392 Ca 0.22 0.70 -0.13 0.00 -1.81 0.00 0.00 61.98 60.96 1r9y s VAL 392 Cb -0.10 -3.26 0.19 0.00 0.56 0.00 0.00 36.38 33.78 1r9y s VAL 392 CO 0.91 -0.19 1.26 -2.16 -0.31 0.00 0.00 175.10 174.62 1r9y s PRO 393 N -3.40 0.77 -0.35 4.82 0.04 -1.26 -5.00 135.00 130.62 1r9y s PRO 393 Ca 0.72 -0.63 -0.19 0.00 0.04 0.00 0.00 61.00 60.95 1r9y s PRO 393 Cb -0.23 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1r9y s PRO 393 CO 0.29 -2.26 0.55 0.08 0.04 0.00 0.00 177.00 175.70 1r9y s VAL 394 N -3.74 4.98 0.10 -0.36 1.01 -1.26 -4.36 120.40 116.77 1r9y s VAL 394 Ca 0.73 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 1r9y s VAL 394 Cb -0.04 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1r9y s VAL 394 CO 0.51 -0.24 1.64 -0.09 0.00 0.00 0.00 175.10 176.93 1r9y h ARG 395 N 8.45 0.35 -3.34 2.72 9.65 -1.30 -3.12 114.38 127.80 1r9y h ARG 395 Ca -0.27 -0.07 -0.18 0.00 -1.10 0.00 0.00 59.98 58.36 1r9y h ARG 395 Cb 1.12 -0.06 -0.25 0.00 -1.39 0.00 0.00 29.97 29.39 1r9y h ARG 395 CO 0.79 0.40 -0.51 0.71 2.80 0.00 0.00 179.97 184.16 1r9y s TYR 396 N -5.54 -0.16 -0.14 2.20 1.51 -1.20 -1.82 117.35 112.21 1r9y s TYR 396 Ca -0.14 0.38 0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1r9y s TYR 396 Cb 0.08 0.05 0.01 0.00 -0.11 0.00 0.00 41.96 41.99 1r9y s TYR 396 CO 0.72 -0.12 -0.21 0.45 -1.11 0.00 0.00 175.55 175.27 1r9y s SER 397 N -0.13 3.04 -0.09 2.29 0.15 -0.21 -0.88 113.70 117.86 1r9y s SER 397 Ca -0.02 -0.59 0.03 0.00 0.70 0.00 0.00 55.95 56.07 1r9y s SER 397 Cb -0.02 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.87 1r9y s SER 397 CO 0.00 0.08 -0.18 -0.69 1.20 0.00 0.00 173.24 173.65 1r9y s VAL 398 N 0.82 2.68 -0.04 4.45 1.01 0.84 -0.47 120.40 129.70 1r9y s VAL 398 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1r9y s VAL 398 Cb -0.16 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1r9y s VAL 398 CO -0.02 0.55 0.02 -0.60 0.00 0.00 0.00 175.10 175.06 1r9y s ARG 399 N 0.02 0.21 -1.60 2.72 3.52 0.44 -1.00 118.95 123.26 1r9y s ARG 399 Ca -0.06 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1r9y s ARG 399 Cb -0.15 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.69 1r9y s ARG 399 CO 0.05 -0.23 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1r9y n GLY 400 N 4.67 0.39 2.04 8.12 0.00 -0.63 -1.87 105.19 117.92 1r9y n GLY 400 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1r9y n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r9y n GLY 401 N -0.96 0.50 3.28 -0.02 0.00 -0.60 -4.35 105.19 103.05 1r9y n GLY 401 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1r9y n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r9y s LYS 402 N -0.04 1.56 -0.09 1.61 1.02 -0.78 -4.26 119.74 118.76 1r9y s LYS 402 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 1r9y s LYS 402 Cb 0.00 -1.68 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 1r9y s LYS 402 CO 0.00 0.43 1.32 0.08 -0.92 0.00 0.00 175.35 176.26 1r9y s VAL 403 N -0.78 4.09 -0.63 3.17 1.01 -1.26 -0.42 120.40 125.59 1r9y s VAL 403 Ca 0.09 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.54 1r9y s VAL 403 Cb -0.09 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1r9y s VAL 403 CO 0.02 -0.07 0.49 2.30 0.00 0.00 0.00 175.10 177.84 1r9y n ILE 404 N 5.06 0.00 -3.53 2.22 -5.35 0.38 -4.95 119.36 113.20 1r9y n ILE 404 Ca 0.13 -0.34 -0.17 0.00 -0.27 0.00 0.00 62.75 62.10 1r9y n ILE 404 Cb 0.45 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.34 1r9y n ILE 404 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r9y s ALA 405 N -1.60 -1.78 -0.09 -1.28 0.00 -1.19 -4.95 121.76 110.88 1r9y s ALA 405 Ca 0.05 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 1r9y s ALA 405 Cb 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1r9y s ALA 405 CO 0.31 -0.36 0.50 -1.54 0.00 0.00 0.00 175.76 174.67 1r9y s SER 406 N -1.11 -0.46 -0.10 0.00 1.04 -1.26 -1.05 113.70 110.76 1r9y s SER 406 Ca -0.10 0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1r9y s SER 406 Cb -0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1r9y s SER 406 CO 0.09 -0.41 -0.09 -0.89 0.98 0.00 0.00 173.24 172.92 1r9y s THR 407 N -0.75 1.05 -0.30 2.02 2.01 -0.76 -4.99 115.64 113.92 1r9y s THR 407 Ca -0.08 -0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.33 1r9y s THR 407 Cb -0.03 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1r9y s THR 407 CO 0.05 0.36 0.85 -1.58 -0.69 0.00 0.00 174.62 173.61 1r9y s GLN 408 N 1.38 4.01 0.63 4.92 0.74 -1.26 -4.60 119.66 125.48 1r9y s GLN 408 Ca -0.01 0.73 -0.18 0.00 0.05 0.00 0.00 55.36 55.95 1r9y s GLN 408 Cb -0.14 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 1r9y s GLN 408 CO -0.05 -0.71 1.04 -2.30 -0.55 0.00 0.00 175.29 172.73 1r9y n PRO 409 N 6.32 0.90 -1.41 1.67 -0.02 -1.26 -4.97 135.00 136.23 1r9y n PRO 409 Ca 0.06 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.56 1r9y n PRO 409 Cb 0.48 -2.26 0.09 0.00 -0.02 0.00 0.00 33.50 31.79 1r9y n PRO 409 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r9y s ALA 410 N -1.51 2.17 -0.20 3.55 0.00 -1.26 -5.02 121.76 119.49 1r9y s ALA 410 Ca 0.78 0.63 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1r9y s ALA 410 Cb -0.40 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.38 1r9y s ALA 410 CO 0.45 -1.78 -0.11 -0.65 0.00 0.00 0.00 175.76 173.67 1r9y s GLN 411 N -4.24 2.07 -0.14 0.00 -0.21 -1.26 -5.11 119.66 110.78 1r9y s GLN 411 Ca 0.69 -0.86 -0.03 0.00 0.02 0.00 0.00 55.36 55.18 1r9y s GLN 411 Cb -0.23 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 1r9y s GLN 411 CO 0.47 -0.42 -0.03 0.99 -2.12 0.00 0.00 175.29 174.18 1r9y s THR 412 N 1.38 3.98 -0.02 -0.19 2.01 -1.26 -5.07 115.64 116.48 1r9y s THR 412 Ca -0.01 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1r9y s THR 412 Cb -0.16 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1r9y s THR 412 CO -0.08 0.52 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.37 1r9y s THR 413 N 0.06 0.86 -0.06 -0.82 2.01 -1.26 -1.08 115.64 115.35 1r9y s THR 413 Ca 0.00 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1r9y s THR 413 Cb -0.13 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1r9y s THR 413 CO 0.03 0.26 -0.12 0.68 -0.69 0.00 0.00 174.62 174.78 1r9y s VAL 414 N 0.04 3.27 -0.74 3.82 -7.23 -0.23 -4.94 120.40 114.39 1r9y s VAL 414 Ca -0.01 -0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1r9y s VAL 414 Cb -0.07 -2.31 0.20 0.00 0.56 0.00 0.00 36.38 34.76 1r9y s VAL 414 CO 0.00 0.59 0.64 -0.31 -0.31 0.00 0.00 175.10 175.71 1r9y s TYR 415 N -0.71 3.62 0.00 2.82 1.51 -1.26 -0.81 117.35 122.52 1r9y s TYR 415 Ca 0.11 -2.26 0.00 0.00 -1.01 0.00 0.00 57.07 53.91 1r9y s TYR 415 Cb -0.11 -3.58 0.00 0.00 -0.11 0.00 0.00 41.96 38.16 1r9y s TYR 415 CO 0.01 -0.93 0.00 1.28 -1.11 0.00 0.00 175.55 174.80 1r9y n LEU 416 N 3.81 0.00 0.30 -1.29 4.77 -1.26 -4.86 117.00 118.47 1r9y n LEU 416 Ca 0.11 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.26 1r9y n LEU 416 Cb 0.43 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.46 1r9y n LEU 416 CO 0.34 0.00 1.08 -0.33 -1.33 0.00 0.00 177.39 177.15 1r9y h GLU 417 N 0.00 0.00 -3.48 3.23 5.08 -2.06 -3.42 114.58 113.93 1r9y h GLU 417 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1r9y h GLU 417 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1r9y h GLU 417 CO 0.00 0.04 -0.40 -0.65 -1.00 0.00 0.00 179.01 176.99 1r9y s GLN 418 N -4.21 0.64 0.40 2.33 -1.52 -1.26 -5.14 119.66 110.89 1r9y s GLN 418 Ca -0.04 -0.52 -0.26 0.00 -1.95 0.00 0.00 55.36 52.60 1r9y s GLN 418 Cb 0.13 0.27 -0.09 0.00 -0.22 0.00 0.00 33.01 33.10 1r9y s GLN 418 CO 0.51 -0.18 1.25 -2.14 -0.25 0.00 0.00 175.29 174.49 1r9y s PRO 419 N -2.11 4.03 -0.02 2.91 0.02 -1.26 -4.66 135.00 133.90 1r9y s PRO 419 Ca -0.09 2.04 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1r9y s PRO 419 Cb -0.03 -2.75 0.02 0.00 0.02 0.00 0.00 34.50 31.76 1r9y s PRO 419 CO -0.01 -0.40 0.01 -2.00 -0.33 0.00 0.00 177.00 174.26 1r9y s GLU 420 N -2.22 0.11 0.19 5.54 2.12 0.01 -4.94 118.70 119.51 1r9y s GLU 420 Ca 0.56 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 1r9y s GLU 420 Cb -0.35 -0.28 -0.08 0.00 0.26 0.00 0.00 34.13 33.68 1r9y s GLU 420 CO 0.45 -0.10 0.98 0.00 -0.54 0.00 0.00 175.26 176.05 1r9y s ALA 421 N 0.73 3.32 -0.19 6.30 0.00 -1.26 -1.06 121.76 129.60 1r9y s ALA 421 Ca -0.07 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 1r9y s ALA 421 Cb -0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1r9y s ALA 421 CO -0.02 0.05 -0.14 0.42 0.00 0.00 0.00 175.76 176.08 1r9y s ILE 422 N -0.67 2.66 -0.63 0.00 -1.09 -0.24 -4.95 121.20 116.28 1r9y s ILE 422 Ca 0.44 -0.75 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1r9y s ILE 422 Cb -0.26 -2.15 0.10 0.00 -1.58 0.00 0.00 42.46 38.56 1r9y s ILE 422 CO 0.32 0.49 0.88 -0.90 -1.23 0.00 0.00 174.94 174.51 1r9y n ASP 423 N 4.52 1.93 -1.73 3.58 3.85 -1.26 -4.37 116.55 123.07 1r9y n ASP 423 Ca -0.20 -1.58 -0.17 0.00 -0.71 0.00 0.00 54.79 52.13 1r9y n ASP 423 Cb 0.51 -0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 40.19 1r9y n ASP 423 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1r9y n TYR 424 N 0.20 -0.50 -4.25 2.11 4.01 -1.26 -5.00 117.16 112.46 1r9y n TYR 424 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.50 1r9y n TYR 424 Cb 0.23 -3.29 -0.09 0.00 -0.31 0.00 0.00 39.34 35.88 1r9y n TYR 424 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1r9y s LYS 425 N -4.33 2.11 0.00 -0.72 1.02 -1.26 -4.99 119.74 111.57 1r9y s LYS 425 Ca 0.00 -1.13 0.26 0.00 0.02 0.00 0.00 55.97 55.11 1r9y s LYS 425 Cb 0.00 -2.25 0.59 0.00 -0.52 0.00 0.00 37.83 35.65 1r9y s LYS 425 CO 0.00 0.47 1.48 2.89 -0.92 0.00 0.00 175.35 179.28