#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjs h GLU 25 N 0.00 -0.19 0.00 9.51 5.08 -2.01 -1.44 114.58 125.54 1qjs h GLU 25 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1qjs h GLU 25 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qjs h GLU 25 CO 0.00 -0.13 0.00 -0.56 -1.00 0.00 0.00 179.01 177.32 1qjs h GLN 26 N -0.20 0.00 -0.02 2.33 -0.00 -2.01 -1.97 115.11 113.24 1qjs h GLN 26 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 1qjs h GLN 26 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.04 1qjs h GLN 26 CO -0.71 0.00 -0.00 0.00 -0.00 0.00 0.00 178.83 178.11 1qjs s SER 28 N -2.00 6.12 0.55 0.00 0.15 -0.74 -5.04 113.70 112.73 1qjs s SER 28 Ca 0.34 1.34 -0.18 0.00 0.70 0.00 0.00 55.95 58.15 1qjs s SER 28 Cb 0.21 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.09 1qjs s SER 28 CO 0.32 -0.92 1.07 -1.81 1.20 0.00 0.00 173.24 173.11 1qjs s ASP 29 N -4.20 5.88 0.00 5.45 1.11 -1.26 -3.46 116.67 120.20 1qjs s ASP 29 Ca 0.55 1.96 0.00 0.00 0.18 0.00 0.00 52.55 55.24 1qjs s ASP 29 Cb -0.11 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1qjs s ASP 29 CO 0.53 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 176.39 1qjs n GLY 30 N -0.41 0.39 3.79 0.21 0.00 -1.26 -5.00 105.19 102.91 1qjs n GLY 30 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qjs n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qjs s TRP 31 N -2.10 2.83 -0.16 1.61 -0.11 -1.22 -4.95 118.94 114.84 1qjs s TRP 31 Ca 0.00 1.49 -0.28 0.00 1.22 0.00 0.00 56.10 58.53 1qjs s TRP 31 Cb 0.00 -2.97 0.07 0.00 -1.50 0.00 0.00 33.47 29.07 1qjs s TRP 31 CO 0.00 -1.53 0.70 0.45 -4.62 0.00 0.00 176.95 171.95 1qjs s SER 32 N -3.59 -0.70 0.05 5.86 0.15 -1.26 -3.50 113.70 110.71 1qjs s SER 32 Ca 0.60 1.09 -0.00 0.00 0.70 0.00 0.00 55.95 58.34 1qjs s SER 32 Cb -0.16 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 1qjs s SER 32 CO 0.56 -0.42 0.18 -0.36 1.20 0.00 0.00 173.24 174.39 1qjs s PHE 33 N -0.38 3.47 -0.14 3.44 0.08 -1.26 -4.93 117.98 118.25 1qjs s PHE 33 Ca -0.05 0.24 -0.25 0.00 0.12 0.00 0.00 56.93 56.98 1qjs s PHE 33 Cb -0.03 -1.75 -0.23 0.00 -0.57 0.00 0.00 43.02 40.45 1qjs s PHE 33 CO 0.05 0.59 0.65 -0.44 -0.10 0.00 0.00 175.22 175.98 1qjs h ASP 34 N 3.26 0.00 -5.05 1.36 3.32 -1.06 -3.43 116.42 114.83 1qjs h ASP 34 Ca -0.46 -0.86 -0.12 0.00 0.02 0.00 0.00 57.03 55.61 1qjs h ASP 34 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 1qjs h ASP 34 CO 0.73 0.97 -0.41 0.00 -1.72 0.00 0.00 179.24 178.81 1qjs s ALA 35 N -2.27 -0.36 0.01 3.45 0.00 -1.20 -4.38 121.76 117.01 1qjs s ALA 35 Ca -0.17 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1qjs s ALA 35 Cb -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1qjs s ALA 35 CO 0.61 -0.33 -0.09 0.95 0.00 0.00 0.00 175.76 176.90 1qjs s THR 36 N -2.30 0.70 0.21 0.00 -4.23 -1.26 -0.35 115.64 108.41 1qjs s THR 36 Ca -0.07 -0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 59.68 1qjs s THR 36 Cb -0.02 -0.62 0.07 0.00 1.34 0.00 0.00 72.50 73.27 1qjs s THR 36 CO -0.02 0.08 0.97 0.28 -0.54 0.00 0.00 174.62 175.39 1qjs s THR 37 N -0.45 0.00 -0.05 3.99 -1.32 -0.65 -4.56 115.64 112.61 1qjs s THR 37 Ca 0.01 -0.68 0.04 0.00 -1.21 0.00 0.00 61.69 59.85 1qjs s THR 37 Cb -0.05 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 1qjs s THR 37 CO 0.00 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.49 1qjs s LEU 38 N -3.24 2.60 0.00 9.08 1.43 -1.26 -0.27 118.68 127.02 1qjs s LEU 38 Ca 0.18 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1qjs s LEU 38 Cb -0.03 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.71 1qjs s LEU 38 CO 0.06 0.34 0.19 -0.90 0.23 0.00 0.00 176.35 176.26 1qjs n ASP 39 N 2.37 0.24 0.09 2.29 5.68 0.18 -4.75 116.55 122.66 1qjs n ASP 39 Ca -0.17 -1.20 0.09 0.00 -0.50 0.00 0.00 54.79 53.01 1qjs n ASP 39 Cb 0.52 -0.12 0.41 0.00 -1.14 0.00 0.00 41.12 40.79 1qjs n ASP 39 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qjs n ASP 40 N -2.99 0.42 -1.02 -1.12 5.75 -1.26 -1.39 116.55 114.93 1qjs n ASP 40 Ca 0.03 0.63 0.12 0.00 -0.01 0.00 0.00 54.79 55.56 1qjs n ASP 40 Cb 0.11 -0.71 0.14 0.00 -1.03 0.00 0.00 41.12 39.63 1qjs n ASP 40 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qjs n ASN 41 N -1.99 3.15 0.00 -1.12 5.03 -1.26 -4.94 115.26 114.13 1qjs n ASN 41 Ca 0.01 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.48 1qjs n ASN 41 Cb 0.15 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 1qjs n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qjs n GLY 42 N 1.39 1.33 3.73 7.41 0.00 -0.48 -4.82 105.19 113.75 1qjs n GLY 42 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1qjs n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qjs s THR 43 N -2.86 3.73 -0.28 2.61 -4.23 -1.26 -4.65 115.64 108.70 1qjs s THR 43 Ca 0.00 1.40 -0.23 0.00 -1.18 0.00 0.00 61.69 61.68 1qjs s THR 43 Cb 0.00 -3.90 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 1qjs s THR 43 CO 0.00 0.20 0.78 -0.32 -0.54 0.00 0.00 174.62 174.74 1qjs s MET 44 N 0.06 4.05 -0.18 3.99 1.75 -1.26 -0.65 119.30 127.06 1qjs s MET 44 Ca 0.54 0.69 -0.06 0.00 -1.25 0.00 0.00 55.69 55.60 1qjs s MET 44 Cb -0.31 -3.69 -0.04 0.00 2.84 0.00 0.00 34.83 33.63 1qjs s MET 44 CO 0.34 -0.59 0.04 -0.51 -0.65 0.00 0.00 175.02 173.65 1qjs s LEU 45 N 2.86 3.61 -0.33 4.11 1.43 0.62 0.07 118.68 131.05 1qjs s LEU 45 Ca 0.32 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1qjs s LEU 45 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1qjs s LEU 45 CO 0.10 0.14 0.09 -0.36 0.23 0.00 0.00 176.35 176.56 1qjs s PHE 46 N 0.54 3.23 0.17 0.29 0.40 0.12 -1.63 117.98 121.11 1qjs s PHE 46 Ca 0.01 -1.36 -0.14 0.00 -0.60 0.00 0.00 56.93 54.85 1qjs s PHE 46 Cb -0.13 -2.26 -0.07 0.00 0.51 0.00 0.00 43.02 41.06 1qjs s PHE 46 CO 0.02 -0.71 0.56 -0.06 0.70 0.00 0.00 175.22 175.73 1qjs s PHE 47 N 1.41 3.56 -0.30 0.36 0.08 0.52 -0.92 117.98 122.70 1qjs s PHE 47 Ca -0.01 1.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.97 1qjs s PHE 47 Cb -0.19 -2.36 0.13 0.00 -0.57 0.00 0.00 43.02 40.03 1qjs s PHE 47 CO 0.02 0.39 0.67 0.21 -0.10 0.00 0.00 175.22 176.41 1qjs s LYS 48 N -2.15 0.58 2.68 0.44 2.47 -1.01 -0.46 119.74 122.29 1qjs s LYS 48 Ca 0.40 1.39 0.00 0.00 -1.56 0.00 0.00 55.97 56.21 1qjs s LYS 48 Cb -0.14 0.77 0.00 0.00 -1.46 0.00 0.00 37.83 37.00 1qjs s LYS 48 CO 0.19 -0.19 0.00 -0.25 0.16 0.00 0.00 175.35 175.27 1qjs n ASP 49 N 5.29 0.00 -1.43 1.43 8.00 -1.26 -1.10 116.55 127.49 1qjs n ASP 49 Ca -0.13 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.43 1qjs n ASP 49 Cb 0.50 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.90 1qjs n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qjs n GLU 50 N 14.00 3.55 -4.61 -1.24 4.71 -1.26 -3.82 120.64 131.96 1qjs n GLU 50 Ca 0.00 -2.29 -0.28 0.00 -0.01 0.00 0.00 57.16 54.59 1qjs n GLU 50 Cb 0.00 -1.93 -0.11 0.00 -1.01 0.00 0.00 31.44 28.40 1qjs n GLU 50 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1qjs s PHE 51 N -2.07 2.45 -0.16 -0.32 0.40 -0.26 -0.47 117.98 117.56 1qjs s PHE 51 Ca 0.40 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 1qjs s PHE 51 Cb 0.28 -1.73 0.05 0.00 0.51 0.00 0.00 43.02 42.13 1qjs s PHE 51 CO 0.15 0.41 0.40 0.54 0.70 0.00 0.00 175.22 177.41 1qjs s VAL 52 N -2.76 -0.02 -0.18 -0.44 0.11 0.11 -2.40 120.40 114.83 1qjs s VAL 52 Ca 0.34 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.31 1qjs s VAL 52 Cb 0.10 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1qjs s VAL 52 CO 0.17 0.02 0.26 0.26 -3.33 0.00 0.00 175.10 172.49 1qjs s TRP 53 N 0.88 3.43 -0.05 1.54 0.51 -0.09 -0.92 118.94 124.23 1qjs s TRP 53 Ca -0.05 0.52 -0.02 0.00 -2.12 0.00 0.00 56.10 54.43 1qjs s TRP 53 Cb -0.06 -2.32 -0.04 0.00 -0.81 0.00 0.00 33.47 30.24 1qjs s TRP 53 CO -0.07 0.20 0.04 0.15 -0.51 0.00 0.00 176.95 176.77 1qjs s LYS 54 N 0.59 3.03 0.29 4.98 1.02 -0.60 -0.70 119.74 128.36 1qjs s LYS 54 Ca 0.14 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1qjs s LYS 54 Cb -0.13 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1qjs s LYS 54 CO 0.03 0.68 0.00 -1.13 -0.92 0.00 0.00 175.35 174.02 1qjs n SER 55 N 1.73 -7.20 0.00 2.83 3.41 0.11 -1.11 113.62 113.38 1qjs n SER 55 Ca -0.17 0.50 0.06 0.00 -0.26 0.00 0.00 58.87 59.01 1qjs n SER 55 Cb 0.53 -3.78 0.27 0.00 -0.26 0.00 0.00 64.21 60.97 1qjs n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjs n HIS 56 N -3.66 0.00 -0.04 7.33 1.44 -1.26 -2.31 115.22 116.73 1qjs n HIS 56 Ca 0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.58 1qjs n HIS 56 Cb 0.64 -0.47 -0.09 0.00 0.12 0.00 0.00 29.99 30.20 1qjs n HIS 56 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qjs h ARG 57 N 0.00 0.24 -0.49 -1.40 3.08 -1.86 -1.49 114.38 112.45 1qjs h ARG 57 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1qjs h ARG 57 Cb 0.20 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1qjs h ARG 57 CO 0.00 0.76 0.00 0.41 -1.07 0.00 0.00 179.97 180.07 1qjs n GLY 58 N 0.47 0.99 3.61 0.04 0.00 -0.27 -4.82 105.19 105.22 1qjs n GLY 58 Ca -0.08 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1qjs n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qjs s ILE 59 N -2.49 3.62 0.12 -0.61 1.01 -0.96 -4.63 121.20 117.26 1qjs s ILE 59 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 60.65 61.11 1qjs s ILE 59 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1qjs s ILE 59 CO 0.00 -0.40 0.63 -0.60 0.00 0.00 0.00 174.94 174.57 1qjs s ARG 60 N 5.14 4.25 -0.01 2.79 3.52 -1.26 -1.55 118.95 131.83 1qjs s ARG 60 Ca 0.74 0.81 -0.21 0.00 -0.13 0.00 0.00 55.73 56.94 1qjs s ARG 60 Cb -0.23 -3.14 0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1qjs s ARG 60 CO 0.32 0.57 0.46 -1.83 -0.81 0.00 0.00 175.30 174.00 1qjs s GLU 61 N -1.37 0.86 0.14 5.12 -1.05 -0.10 -4.98 118.70 117.34 1qjs s GLU 61 Ca 0.34 -0.10 -0.31 0.00 -0.15 0.00 0.00 54.97 54.75 1qjs s GLU 61 Cb -0.19 0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 1qjs s GLU 61 CO 0.21 -0.27 1.66 -1.17 0.95 0.00 0.00 175.26 176.63 1qjs s LEU 62 N -1.47 4.37 0.24 1.83 2.96 -1.26 0.08 118.68 125.42 1qjs s LEU 62 Ca -0.11 2.65 -0.07 0.00 -0.22 0.00 0.00 54.13 56.39 1qjs s LEU 62 Cb -0.02 -3.58 0.41 0.00 0.50 0.00 0.00 46.19 43.49 1qjs s LEU 62 CO 0.04 -0.89 1.67 0.40 -1.32 0.00 0.00 176.35 176.25 1qjs h ILE 63 N 4.26 0.47 0.00 6.68 2.04 -1.03 0.36 117.51 130.29 1qjs h ILE 63 Ca -0.43 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1qjs h ILE 63 Cb 1.20 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1qjs h ILE 63 CO 0.93 0.03 0.06 -1.54 0.00 0.00 0.00 178.15 177.63 1qjs n SER 64 N -5.24 0.00 -0.03 1.72 3.41 -1.26 -1.42 113.62 110.80 1qjs n SER 64 Ca 0.13 0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.94 1qjs n SER 64 Cb 0.43 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 1qjs n SER 64 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qjs h GLU 65 N 0.00 0.26 0.00 4.33 4.57 -0.64 -3.40 114.58 119.70 1qjs h GLU 65 Ca 0.00 -0.21 -0.43 0.00 -1.18 0.00 0.00 59.36 57.54 1qjs h GLU 65 Cb 0.11 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 1qjs h GLU 65 CO 0.00 0.86 -2.38 0.54 -1.18 0.00 0.00 179.01 176.85 1qjs n ARG 66 N -4.50 0.59 -3.08 1.92 1.74 -0.77 -4.85 116.66 107.72 1qjs n ARG 66 Ca -0.08 0.29 -0.45 0.00 -0.77 0.00 0.00 57.85 56.84 1qjs n ARG 66 Cb 0.46 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1qjs n ARG 66 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qjs s TRP 67 N -2.49 2.98 0.45 -1.55 0.52 -0.51 -5.02 118.94 113.32 1qjs s TRP 67 Ca -0.37 -0.96 -0.24 0.00 0.02 0.00 0.00 56.10 54.55 1qjs s TRP 67 Cb 0.13 -4.05 -0.09 0.00 -1.15 0.00 0.00 33.47 28.31 1qjs s TRP 67 CO 0.52 -1.34 1.19 1.63 0.02 0.00 0.00 176.95 178.97 1qjs n LYS 68 N 6.44 1.66 -1.13 4.98 4.76 -1.26 -3.18 118.16 130.41 1qjs n LYS 68 Ca -0.07 0.60 -0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1qjs n LYS 68 Cb 0.43 -2.30 -0.03 0.00 -1.84 0.00 0.00 35.03 31.29 1qjs n LYS 68 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qjs n ASN 69 N 0.04 -5.02 -4.78 4.39 5.15 -1.26 -4.91 115.26 108.87 1qjs n ASN 69 Ca 0.08 0.18 -0.36 0.00 -0.60 0.00 0.00 54.58 53.89 1qjs n ASN 69 Cb 0.41 -3.58 -0.07 0.00 -0.53 0.00 0.00 39.78 36.00 1qjs n ASN 69 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1qjs s PHE 70 N -1.55 3.46 0.04 1.20 5.36 -1.19 -5.02 117.98 120.28 1qjs s PHE 70 Ca 0.00 0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.40 1qjs s PHE 70 Cb 0.00 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1qjs s PHE 70 CO 0.00 0.45 -0.13 0.42 -1.46 0.00 0.00 175.22 174.50 1qjs s ILE 71 N -0.20 1.05 0.01 3.12 1.09 -1.26 -4.59 121.20 120.42 1qjs s ILE 71 Ca 0.10 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.68 1qjs s ILE 71 Cb -0.11 -0.96 0.00 0.00 -1.06 0.00 0.00 42.46 40.33 1qjs s ILE 71 CO 0.01 -0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.44 1qjs n GLY 72 N 1.91 -2.10 3.76 6.18 0.00 -1.26 -4.96 105.19 108.71 1qjs n GLY 72 Ca -0.18 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 1qjs n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qjs s PRO 73 N -2.24 2.72 0.35 1.61 0.04 -1.25 -4.71 135.00 131.51 1qjs s PRO 73 Ca 0.00 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 1qjs s PRO 73 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1qjs s PRO 73 CO 0.00 -1.34 0.78 0.08 0.04 0.00 0.00 177.00 176.55 1qjs s VAL 74 N -2.07 4.63 -0.25 -0.36 1.01 -1.26 -4.82 120.40 117.27 1qjs s VAL 74 Ca 0.71 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 63.63 1qjs s VAL 74 Cb -0.24 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1qjs s VAL 74 CO 0.39 -0.22 -0.30 0.47 0.00 0.00 0.00 175.10 175.44 1qjs n ASP 75 N -0.45 1.86 -3.72 3.32 9.92 0.80 -4.54 116.55 123.74 1qjs n ASP 75 Ca 0.04 0.21 -0.10 0.00 -0.53 0.00 0.00 54.79 54.41 1qjs n ASP 75 Cb 0.53 -0.66 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 1qjs n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qjs s ALA 76 N -2.46 -0.75 -0.02 2.24 0.00 -0.99 -4.10 121.76 115.67 1qjs s ALA 76 Ca -0.34 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1qjs s ALA 76 Cb 0.12 0.74 0.08 0.00 0.00 0.00 0.00 23.12 24.06 1qjs s ALA 76 CO 0.46 -0.67 0.72 0.00 0.00 0.00 0.00 175.76 176.27 1qjs s ALA 77 N -3.85 -1.76 0.15 0.00 0.00 -1.26 -0.90 121.76 114.13 1qjs s ALA 77 Ca 0.06 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1qjs s ALA 77 Cb 0.02 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1qjs s ALA 77 CO -0.08 -0.45 0.27 1.97 0.00 0.00 0.00 175.76 177.47 1qjs n PHE 78 N 0.60 -1.37 -3.59 0.00 1.16 -1.15 -4.41 117.46 108.69 1qjs n PHE 78 Ca -0.17 -0.74 -0.19 0.00 -1.87 0.00 0.00 57.45 54.48 1qjs n PHE 78 Cb 0.59 0.32 -0.15 0.00 -1.61 0.00 0.00 39.48 38.63 1qjs n PHE 78 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1qjs s ARG 79 N -2.09 0.10 -0.05 3.97 3.52 -1.26 -1.83 118.95 121.31 1qjs s ARG 79 Ca 0.07 0.35 0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1qjs s ARG 79 Cb -0.02 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.55 1qjs s ARG 79 CO 0.05 -0.49 -0.10 -1.58 -0.81 0.00 0.00 175.30 172.37 1qjs s HIS 80 N 2.29 1.19 0.00 5.12 2.46 -0.67 -4.45 115.29 121.23 1qjs s HIS 80 Ca 0.04 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.20 1qjs s HIS 80 Cb -0.14 -0.88 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 1qjs s HIS 80 CO -0.09 -0.19 0.00 0.41 -2.47 0.00 0.00 174.74 172.40 1qjs n GLY 81 N 3.63 0.94 4.69 1.59 0.00 -1.26 -3.58 105.19 111.20 1qjs n GLY 81 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1qjs n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qjs n HIS 82 N -2.10 0.00 -0.06 1.61 -0.00 -1.26 -4.52 115.22 108.89 1qjs n HIS 82 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1qjs n HIS 82 Cb 0.00 -1.06 -0.06 0.00 -0.12 0.00 0.00 29.99 28.75 1qjs n HIS 82 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1qjs n THR 83 N -1.87 0.72 -3.24 3.57 -2.24 -1.26 -4.38 114.28 105.58 1qjs n THR 83 Ca 0.00 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.18 1qjs n THR 83 Cb 0.00 -1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 67.04 1qjs n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qjs s SER 84 N -5.47 6.86 -0.11 3.42 0.01 -1.23 -3.91 113.70 113.26 1qjs s SER 84 Ca -0.17 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.31 1qjs s SER 84 Cb 0.05 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1qjs s SER 84 CO 0.27 -0.01 -0.15 -0.69 0.41 0.00 0.00 173.24 173.08 1qjs s VAL 85 N -1.64 1.48 -0.25 3.43 1.01 -1.08 -1.66 120.40 121.68 1qjs s VAL 85 Ca 0.44 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1qjs s VAL 85 Cb -0.14 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1qjs s VAL 85 CO 0.20 0.44 0.26 -0.31 0.00 0.00 0.00 175.10 175.68 1qjs s TYR 86 N 0.99 3.28 -0.21 5.22 1.51 -0.76 -0.05 117.35 127.34 1qjs s TYR 86 Ca -0.07 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1qjs s TYR 86 Cb -0.15 -2.41 0.02 0.00 -0.11 0.00 0.00 41.96 39.31 1qjs s TYR 86 CO -0.02 -0.07 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.71 1qjs s LEU 87 N 1.52 2.57 -0.13 -1.29 1.43 -0.55 -2.94 118.68 119.29 1qjs s LEU 87 Ca 0.11 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1qjs s LEU 87 Cb -0.15 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1qjs s LEU 87 CO 0.08 -0.04 0.06 -0.63 0.23 0.00 0.00 176.35 176.06 1qjs s ILE 88 N 1.33 4.82 -0.19 -0.59 1.01 -0.08 -1.57 121.20 125.93 1qjs s ILE 88 Ca 0.04 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1qjs s ILE 88 Cb -0.14 -3.10 0.09 0.00 0.01 0.00 0.00 42.46 39.31 1qjs s ILE 88 CO -0.09 0.56 0.41 -0.75 0.00 0.00 0.00 174.94 175.07 1qjs s LYS 89 N -0.45 0.32 6.99 2.79 2.20 -0.86 -0.14 119.74 130.59 1qjs s LYS 89 Ca 0.10 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.72 1qjs s LYS 89 Cb -0.12 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1qjs s LYS 89 CO 0.02 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1qjs n GLY 90 N 5.31 3.29 0.77 5.54 0.00 -1.26 -1.58 105.19 117.26 1qjs n GLY 90 Ca -0.09 -0.23 0.07 0.00 0.00 0.00 0.00 46.02 45.76 1qjs n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qjs n ASP 91 N 3.05 2.24 -4.42 1.61 5.68 -1.26 -4.73 116.55 118.71 1qjs n ASP 91 Ca 0.00 -1.99 -0.29 0.00 -0.50 0.00 0.00 54.79 52.01 1qjs n ASP 91 Cb 0.00 -0.27 -0.12 0.00 -1.14 0.00 0.00 41.12 39.58 1qjs n ASP 91 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1qjs s LYS 92 N -1.45 1.53 -0.08 0.11 -2.85 -0.62 -1.08 119.74 115.30 1qjs s LYS 92 Ca 0.28 -1.31 0.04 0.00 -1.00 0.00 0.00 55.97 53.99 1qjs s LYS 92 Cb 0.15 -1.97 -0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1qjs s LYS 92 CO 0.20 0.46 -0.23 0.08 0.10 0.00 0.00 175.35 175.96 1qjs s VAL 93 N -1.13 1.91 -0.38 1.79 1.01 0.96 -2.04 120.40 122.53 1qjs s VAL 93 Ca 0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1qjs s VAL 93 Cb -0.10 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.70 1qjs s VAL 93 CO 0.08 0.53 0.17 0.26 0.00 0.00 0.00 175.10 176.14 1qjs s TRP 94 N 0.21 3.38 -0.29 5.22 0.51 -0.61 -0.29 118.94 127.07 1qjs s TRP 94 Ca -0.13 -1.80 -0.18 0.00 -2.12 0.00 0.00 56.10 51.87 1qjs s TRP 94 Cb -0.16 -2.76 -0.02 0.00 -0.81 0.00 0.00 33.47 29.72 1qjs s TRP 94 CO 0.06 -0.85 0.51 0.08 -0.51 0.00 0.00 176.95 176.24 1qjs s VAL 95 N 1.32 5.05 -0.80 4.03 1.01 -1.26 -1.48 120.40 128.27 1qjs s VAL 95 Ca 0.02 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 1qjs s VAL 95 Cb -0.22 -3.87 0.20 0.00 0.00 0.00 0.00 36.38 32.50 1qjs s VAL 95 CO 0.00 -0.01 0.68 -0.31 0.00 0.00 0.00 175.10 175.46 1qjs s TYR 96 N 2.34 3.72 0.06 5.22 2.02 0.93 -4.83 117.35 126.81 1qjs s TYR 96 Ca 0.20 -2.79 -0.24 0.00 -0.37 0.00 0.00 57.07 53.86 1qjs s TYR 96 Cb -0.15 -3.32 -0.06 0.00 -0.40 0.00 0.00 41.96 38.03 1qjs s TYR 96 CO 0.11 -0.81 0.74 -0.08 -1.57 0.00 0.00 175.55 173.94 1qjs s THR 97 N -0.74 4.68 -2.00 -0.71 -1.32 -1.26 -2.65 115.64 111.65 1qjs s THR 97 Ca 0.23 1.59 0.11 0.00 -1.21 0.00 0.00 61.69 62.41 1qjs s THR 97 Cb -0.12 -4.09 0.31 0.00 -1.51 0.00 0.00 72.50 67.09 1qjs s THR 97 CO -0.09 0.41 1.09 -1.20 -2.21 0.00 0.00 174.62 172.62 1qjs n SER 98 N 2.54 0.00 0.05 8.08 7.64 -1.25 -4.22 113.62 126.45 1qjs n SER 98 Ca -0.04 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1qjs n SER 98 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1qjs n SER 98 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1qjs n GLU 99 N -0.88 0.00 -1.72 1.43 0.00 -1.26 -5.08 120.64 113.13 1qjs n GLU 99 Ca 0.08 0.00 -0.62 0.00 0.00 0.00 0.00 57.16 56.62 1qjs n GLU 99 Cb 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.39 1qjs n GLU 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1qjs n LYS 100 N -2.72 0.65 -0.15 5.31 4.76 -1.26 -4.45 118.16 120.31 1qjs n LYS 100 Ca 0.00 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1qjs n LYS 100 Cb 0.00 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 1qjs n LYS 100 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qjs n ASN 101 N 4.69 0.00 -2.39 4.39 3.02 -1.26 -4.49 115.26 119.21 1qjs n ASN 101 Ca 0.28 -0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 1qjs n ASN 101 Cb 0.05 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1qjs n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qjs n GLU 102 N 2.38 0.38 -4.46 3.52 -0.58 -1.26 -5.17 120.64 115.45 1qjs n GLU 102 Ca 0.00 -2.01 -0.22 0.00 -0.42 0.00 0.00 57.16 54.50 1qjs n GLU 102 Cb 0.00 1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 32.57 1qjs n GLU 102 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qjs s LYS 103 N -2.70 1.74 -0.06 3.49 1.02 -1.26 -4.99 119.74 116.97 1qjs s LYS 103 Ca 0.23 -2.01 -0.03 0.00 0.02 0.00 0.00 55.97 54.18 1qjs s LYS 103 Cb 0.00 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 1qjs s LYS 103 CO 0.16 -0.33 0.07 0.08 -0.92 0.00 0.00 175.35 174.41 1qjs s VAL 104 N -3.33 4.80 -0.02 3.17 1.01 -1.26 -5.11 120.40 119.66 1qjs s VAL 104 Ca 0.31 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1qjs s VAL 104 Cb 0.06 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 1qjs s VAL 104 CO 0.15 0.51 -0.12 -0.31 0.00 0.00 0.00 175.10 175.33 1qjs s TYR 105 N -1.04 1.12 0.22 5.22 2.02 -1.26 -4.93 117.35 118.70 1qjs s TYR 105 Ca 0.17 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.33 1qjs s TYR 105 Cb -0.12 -0.74 -0.10 0.00 -0.40 0.00 0.00 41.96 40.60 1qjs s TYR 105 CO 0.07 -0.05 1.52 -2.14 -1.57 0.00 0.00 175.55 173.38 1qjs s PRO 106 N -0.16 4.23 0.27 -1.71 0.02 -1.26 -4.67 135.00 131.71 1qjs s PRO 106 Ca 0.02 2.36 0.11 0.00 0.02 0.00 0.00 61.00 63.52 1qjs s PRO 106 Cb -0.06 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1qjs s PRO 106 CO -0.00 -0.53 -0.17 0.15 -0.33 0.00 0.00 177.00 176.12 1qjs s LYS 107 N 0.26 1.78 0.20 5.54 1.02 0.60 -4.84 119.74 124.31 1qjs s LYS 107 Ca 0.64 -1.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 1qjs s LYS 107 Cb -0.43 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.94 1qjs s LYS 107 CO 0.39 0.35 0.95 0.45 -0.92 0.00 0.00 175.35 176.56 1qjs s SER 108 N -3.44 7.60 0.19 2.83 0.15 -1.26 -0.03 113.70 119.75 1qjs s SER 108 Ca 0.29 1.90 -0.09 0.00 0.70 0.00 0.00 55.95 58.75 1qjs s SER 108 Cb -0.06 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1qjs s SER 108 CO 0.15 0.09 1.73 0.25 1.20 0.00 0.00 173.24 176.66 1qjs h LEU 109 N 4.59 1.02 -1.12 3.45 5.85 -1.45 0.36 115.31 128.02 1qjs h LEU 109 Ca -0.44 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1qjs h LEU 109 Cb 1.20 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1qjs h LEU 109 CO 0.69 0.96 0.00 1.56 -0.34 0.00 0.00 178.44 181.31 1qjs h GLN 110 N 1.03 0.00 0.01 1.25 7.50 -1.80 0.35 115.11 123.45 1qjs h GLN 110 Ca 0.23 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 59.11 1qjs h GLN 110 Cb 0.30 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.79 1qjs h GLN 110 CO -0.01 0.00 -1.45 -0.25 -1.50 0.00 0.00 178.83 175.62 1qjs n ASP 111 N -2.39 1.88 0.28 1.46 8.00 -0.12 -3.71 116.55 121.95 1qjs n ASP 111 Ca 0.01 0.40 -0.11 0.00 0.71 0.00 0.00 54.79 55.79 1qjs n ASP 111 Cb 0.17 -0.94 -0.05 0.00 -0.02 0.00 0.00 41.12 40.28 1qjs n ASP 111 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qjs h GLU 112 N -0.94 -0.71 -3.11 -1.24 4.39 -0.67 -3.39 114.58 108.91 1qjs h GLU 112 Ca -0.39 0.05 -0.69 0.00 0.34 0.00 0.00 59.36 58.66 1qjs h GLU 112 Cb 1.38 0.16 -0.36 0.00 -0.10 0.00 0.00 28.75 29.83 1qjs h GLU 112 CO -0.22 -0.47 -0.11 1.19 -1.16 0.00 0.00 179.01 178.24 1qjs n PHE 113 N -4.71 3.90 -1.69 4.33 3.72 0.12 -5.08 117.46 118.05 1qjs n PHE 113 Ca -0.09 -4.01 -0.43 0.00 -0.05 0.00 0.00 57.45 52.87 1qjs n PHE 113 Cb 0.29 -1.03 -0.03 0.00 -0.94 0.00 0.00 39.48 37.76 1qjs n PHE 113 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1qjs n PRO 114 N 1.99 2.64 -0.22 -1.08 -0.04 -1.24 -2.46 135.00 134.58 1qjs n PRO 114 Ca 0.23 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1qjs n PRO 114 Cb 0.37 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1qjs n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qjs n GLY 115 N 4.11 0.81 3.69 0.55 0.00 -1.26 -4.92 105.19 108.17 1qjs n GLY 115 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1qjs n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qjs s ILE 116 N -2.57 4.99 0.83 -0.61 -1.09 -1.03 -5.04 121.20 116.68 1qjs s ILE 116 Ca 0.00 1.44 -0.11 0.00 -2.23 0.00 0.00 60.65 59.75 1qjs s ILE 116 Cb 0.00 -4.05 0.09 0.00 -1.58 0.00 0.00 42.46 36.92 1qjs s ILE 116 CO 0.00 0.15 1.09 -2.16 -1.23 0.00 0.00 174.94 172.80 1qjs s PRO 117 N 1.45 1.79 0.09 2.79 0.04 -1.26 -4.88 135.00 135.03 1qjs s PRO 117 Ca 0.36 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 1qjs s PRO 117 Cb -0.17 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1qjs s PRO 117 CO 0.15 -1.85 0.38 -0.59 0.04 0.00 0.00 177.00 175.12 1qjs s PHE 118 N -3.04 -0.18 0.05 0.56 -0.71 -1.26 -4.44 117.98 108.96 1qjs s PHE 118 Ca 0.62 -0.06 -0.31 0.00 -1.04 0.00 0.00 56.93 56.14 1qjs s PHE 118 Cb -0.16 0.21 -0.07 0.00 -1.21 0.00 0.00 43.02 41.79 1qjs s PHE 118 CO 0.55 -0.64 1.42 -2.14 -1.34 0.00 0.00 175.22 173.08 1qjs s PRO 119 N -3.35 4.29 0.41 1.99 0.02 -1.26 -5.02 135.00 132.07 1qjs s PRO 119 Ca 0.00 2.04 -0.23 0.00 0.02 0.00 0.00 61.00 62.83 1qjs s PRO 119 Cb 0.01 -3.46 -0.09 0.00 0.02 0.00 0.00 34.50 30.98 1qjs s PRO 119 CO -0.09 -0.54 1.02 -0.51 -0.33 0.00 0.00 177.00 176.56 1qjs s LEU 120 N 1.96 4.08 -0.03 -5.54 1.43 -1.26 -4.85 118.68 114.47 1qjs s LEU 120 Ca 0.65 1.95 0.18 0.00 -1.03 0.00 0.00 54.13 55.89 1qjs s LEU 120 Cb -0.34 -4.28 -0.21 0.00 0.03 0.00 0.00 46.19 41.39 1qjs s LEU 120 CO 0.28 -0.49 0.55 0.47 0.23 0.00 0.00 176.35 177.40 1qjs n ASP 121 N -0.24 0.46 -3.75 2.29 8.00 -0.20 -4.41 116.55 118.70 1qjs n ASP 121 Ca 0.06 0.20 -0.03 0.00 0.71 0.00 0.00 54.79 55.73 1qjs n ASP 121 Cb 0.51 0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 42.34 1qjs n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qjs s ALA 122 N -2.92 -1.66 -0.28 2.24 0.00 -1.02 -3.56 121.76 114.57 1qjs s ALA 122 Ca -0.06 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1qjs s ALA 122 Cb 0.09 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.93 1qjs s ALA 122 CO 0.84 -1.04 0.79 0.00 0.00 0.00 0.00 175.76 176.35 1qjs s ALA 123 N -3.27 -1.88 -0.04 0.00 0.00 -1.26 -1.29 121.76 114.02 1qjs s ALA 123 Ca 0.12 2.12 0.02 0.00 0.00 0.00 0.00 51.96 54.22 1qjs s ALA 123 Cb -0.01 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1qjs s ALA 123 CO 0.02 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.44 1qjs s VAL 124 N 0.75 0.81 0.30 0.00 1.01 -0.14 -4.47 120.40 118.67 1qjs s VAL 124 Ca -0.03 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1qjs s VAL 124 Cb -0.05 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1qjs s VAL 124 CO -0.07 0.27 1.17 -1.83 0.00 0.00 0.00 175.10 174.64 1qjs s GLU 125 N 0.54 4.53 -0.17 2.72 1.03 -1.26 -0.73 118.70 125.35 1qjs s GLU 125 Ca -0.09 1.94 0.00 0.00 0.03 0.00 0.00 54.97 56.85 1qjs s GLU 125 Cb -0.12 -3.13 0.04 0.00 -0.80 0.00 0.00 34.13 30.11 1qjs s GLU 125 CO 0.01 0.06 -0.09 0.00 -1.33 0.00 0.00 175.26 173.91 1qjs s HIS 127 N 1.50 2.57 0.15 0.00 3.76 -1.26 -0.59 115.29 121.42 1qjs s HIS 127 Ca 0.01 0.68 -0.25 0.00 -0.15 0.00 0.00 55.06 55.34 1qjs s HIS 127 Cb -0.15 -3.60 -0.08 0.00 1.11 0.00 0.00 32.58 29.86 1qjs s HIS 127 CO -0.09 -2.09 0.78 0.50 -0.85 0.00 0.00 174.74 173.00 1qjs s ARG 128 N -5.59 4.56 0.00 1.40 3.52 -1.26 -1.58 118.95 120.00 1qjs s ARG 128 Ca 0.65 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 1qjs s ARG 128 Cb -0.10 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1qjs s ARG 128 CO 0.51 0.53 0.00 0.41 -0.81 0.00 0.00 175.30 175.94 1qjs n GLY 129 N 1.69 2.50 0.07 8.12 0.00 -1.25 -4.74 105.19 111.58 1qjs n GLY 129 Ca -0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 1qjs n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qjs n GLU 130 N 0.00 0.40 -2.32 1.61 1.02 -1.21 0.03 120.64 120.17 1qjs n GLU 130 Ca 0.00 0.25 -0.25 0.00 -0.02 0.00 0.00 57.16 57.14 1qjs n GLU 130 Cb 0.00 -1.30 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1qjs n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qjs h GLN 132 N -0.40 0.00 -5.63 0.00 4.20 -1.83 -3.41 115.11 108.04 1qjs h GLN 132 Ca -0.44 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 57.75 1qjs h GLN 132 Cb 1.30 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.94 1qjs h GLN 132 CO 0.59 0.72 -0.69 -0.51 -0.67 0.00 0.00 178.83 178.28 1qjs s ASP 133 N -6.76 2.98 -0.07 1.46 1.11 -1.26 -4.50 116.67 109.63 1qjs s ASP 133 Ca -0.00 -1.17 -0.28 0.00 0.18 0.00 0.00 52.55 51.27 1qjs s ASP 133 Cb 0.11 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.88 1qjs s ASP 133 CO 0.78 -0.28 0.93 -0.70 1.18 0.00 0.00 175.17 177.08 1qjs s GLU 134 N -3.69 4.46 0.00 8.23 2.56 -1.26 -4.20 118.70 124.80 1qjs s GLU 134 Ca 0.30 1.28 0.00 0.00 0.00 0.00 0.00 54.97 56.55 1qjs s GLU 134 Cb 0.03 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.65 1qjs s GLU 134 CO 0.13 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 1qjs n GLY 135 N 3.07 3.33 3.11 -1.50 0.00 0.25 -2.42 105.19 111.02 1qjs n GLY 135 Ca 0.06 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1qjs n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qjs s ILE 136 N -1.80 0.04 -0.19 -0.61 1.01 -0.75 -1.19 121.20 117.71 1qjs s ILE 136 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1qjs s ILE 136 Cb 0.00 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 1qjs s ILE 136 CO 0.00 -0.17 -0.02 -0.76 0.00 0.00 0.00 174.94 173.99 1qjs s LEU 137 N -0.60 3.15 -0.10 2.97 1.43 0.09 -0.59 118.68 125.03 1qjs s LEU 137 Ca -0.07 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1qjs s LEU 137 Cb -0.04 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1qjs s LEU 137 CO 0.01 0.08 -0.07 -0.36 0.23 0.00 0.00 176.35 176.24 1qjs s PHE 138 N 0.92 2.95 -0.18 0.29 0.08 -0.52 -0.96 117.98 120.55 1qjs s PHE 138 Ca 0.00 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 1qjs s PHE 138 Cb -0.14 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1qjs s PHE 138 CO 0.01 0.20 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.13 1qjs s PHE 139 N -0.42 2.83 -0.32 0.36 0.40 -0.41 -1.75 117.98 118.67 1qjs s PHE 139 Ca 0.06 -1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 55.15 1qjs s PHE 139 Cb -0.12 -1.96 0.11 0.00 0.51 0.00 0.00 43.02 41.56 1qjs s PHE 139 CO 0.02 -0.61 0.15 -1.14 0.70 0.00 0.00 175.22 174.34 1qjs s GLN 140 N 1.17 0.50 5.29 0.44 0.74 -0.54 -1.04 119.66 126.23 1qjs s GLN 140 Ca 0.02 -0.99 0.00 0.00 0.05 0.00 0.00 55.36 54.43 1qjs s GLN 140 Cb -0.14 -1.48 0.00 0.00 1.10 0.00 0.00 33.01 32.49 1qjs s GLN 140 CO -0.06 -1.08 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 1qjs n GLY 141 N 4.69 1.50 0.97 2.59 0.00 -1.26 -3.39 105.19 110.29 1qjs n GLY 141 Ca 0.01 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1qjs n GLY 141 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qjs n ASN 142 N 6.00 3.19 -4.41 1.61 4.05 -1.26 -4.16 115.26 120.28 1qjs n ASN 142 Ca 0.00 -1.92 -0.32 0.00 0.45 0.00 0.00 54.58 52.79 1qjs n ASN 142 Cb 0.00 -0.23 -0.14 0.00 1.23 0.00 0.00 39.78 40.64 1qjs n ASN 142 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qjs s ARG 143 N -1.28 2.36 0.16 1.20 1.70 -1.22 -4.90 118.95 116.98 1qjs s ARG 143 Ca 0.33 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.88 1qjs s ARG 143 Cb 0.19 -2.25 -0.04 0.00 -0.57 0.00 0.00 34.95 32.28 1qjs s ARG 143 CO 0.26 0.59 -0.04 0.15 -1.08 0.00 0.00 175.30 175.19 1qjs s LYS 144 N -0.67 2.30 0.00 3.89 3.01 -1.24 -1.46 119.74 125.57 1qjs s LYS 144 Ca 0.10 -1.10 -0.03 0.00 -1.01 0.00 0.00 55.97 53.93 1qjs s LYS 144 Cb -0.10 -2.32 -0.01 0.00 -1.01 0.00 0.00 37.83 34.39 1qjs s LYS 144 CO 0.00 0.47 0.04 -1.58 0.51 0.00 0.00 175.35 174.79 1qjs s TRP 145 N -1.60 0.11 -0.15 3.18 0.51 -0.72 -1.95 118.94 118.32 1qjs s TRP 145 Ca 0.26 -0.23 -0.02 0.00 -2.12 0.00 0.00 56.10 53.98 1qjs s TRP 145 Cb -0.10 -0.09 -0.02 0.00 -0.81 0.00 0.00 33.47 32.45 1qjs s TRP 145 CO 0.17 -0.18 -0.07 0.12 -0.51 0.00 0.00 176.95 176.48 1qjs s PHE 146 N -1.05 2.95 -0.22 -1.98 5.36 -0.10 -1.44 117.98 121.50 1qjs s PHE 146 Ca -0.11 -0.43 -0.08 0.00 -0.96 0.00 0.00 56.93 55.35 1qjs s PHE 146 Cb -0.07 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.65 1qjs s PHE 146 CO 0.00 -0.10 0.09 -0.46 -1.46 0.00 0.00 175.22 173.28 1qjs s TRP 147 N 0.38 3.19 -0.27 10.12 -0.11 0.24 -1.15 118.94 131.33 1qjs s TRP 147 Ca -0.06 -0.08 -0.22 0.00 1.22 0.00 0.00 56.10 56.96 1qjs s TRP 147 Cb -0.15 -2.18 -0.01 0.00 -1.50 0.00 0.00 33.47 29.63 1qjs s TRP 147 CO 0.04 -0.07 0.70 0.34 -4.62 0.00 0.00 176.95 173.33 1qjs s ASP 148 N 1.02 6.64 0.51 5.86 -1.08 0.01 -1.80 116.67 127.82 1qjs s ASP 148 Ca 0.05 0.74 0.30 0.00 -0.52 0.00 0.00 52.55 53.11 1qjs s ASP 148 Cb -0.14 -2.37 1.17 0.00 -1.46 0.00 0.00 42.92 40.12 1qjs s ASP 148 CO 0.03 -0.45 1.92 -0.07 0.52 0.00 0.00 175.17 177.12 1qjs h LEU 149 N 9.09 0.00 0.37 -1.34 3.38 -1.80 0.15 115.31 125.16 1qjs h LEU 149 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1qjs h LEU 149 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1qjs h LEU 149 CO 0.81 0.09 -0.18 0.74 0.09 0.00 0.00 178.44 180.00 1qjs h THR 150 N 0.00 0.00 0.00 0.22 2.02 -1.92 -3.36 112.91 109.88 1qjs h THR 150 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1qjs h THR 150 Cb 0.61 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1qjs h THR 150 CO 0.01 0.00 -0.23 0.74 0.37 0.00 0.00 175.52 176.41 1qjs h THR 151 N -1.06 0.00 -4.74 3.16 2.02 -1.95 -3.48 112.91 106.87 1qjs h THR 151 Ca -0.05 -0.96 -0.24 0.00 0.77 0.00 0.00 66.41 65.93 1qjs h THR 151 Cb 0.38 1.84 0.13 0.00 -1.74 0.00 0.00 68.15 68.76 1qjs h THR 151 CO 0.08 0.00 -0.58 0.61 0.37 0.00 0.00 175.52 176.00 1qjs n GLY 152 N 1.13 -0.20 3.09 2.16 0.00 0.53 -5.03 105.19 106.87 1qjs n GLY 152 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1qjs n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjs s THR 153 N -3.27 0.20 0.08 2.61 2.01 -1.20 -4.98 115.64 111.09 1qjs s THR 153 Ca 0.03 -1.69 0.08 0.00 0.31 0.00 0.00 61.69 60.43 1qjs s THR 153 Cb -0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1qjs s THR 153 CO 0.55 -0.93 -0.18 -1.59 -0.69 0.00 0.00 174.62 171.77 1qjs s LYS 154 N -3.67 1.92 -0.14 4.92 -2.85 -1.26 -0.81 119.74 117.85 1qjs s LYS 154 Ca 0.05 -1.08 0.01 0.00 -1.00 0.00 0.00 55.97 53.94 1qjs s LYS 154 Cb 0.06 -2.14 0.02 0.00 -2.06 0.00 0.00 37.83 33.71 1qjs s LYS 154 CO -0.09 0.51 -0.16 0.15 0.10 0.00 0.00 175.35 175.86 1qjs s LYS 155 N -1.76 2.40 -0.10 1.78 3.01 -0.30 -4.94 119.74 119.82 1qjs s LYS 155 Ca 0.16 -0.61 -0.21 0.00 -1.01 0.00 0.00 55.97 54.30 1qjs s LYS 155 Cb -0.10 -2.11 -0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1qjs s LYS 155 CO 0.07 -0.16 0.63 -2.00 0.51 0.00 0.00 175.35 174.39 1qjs s GLU 156 N 1.27 4.38 0.13 1.68 2.12 -1.26 -0.93 118.70 126.09 1qjs s GLU 156 Ca 0.01 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1qjs s GLU 156 Cb -0.14 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1qjs s GLU 156 CO -0.07 0.04 0.04 1.03 -0.54 0.00 0.00 175.26 175.76 1qjs s ARG 157 N 0.92 2.62 -0.35 4.30 3.00 -0.82 -5.00 118.95 123.62 1qjs s ARG 157 Ca 0.33 -0.91 0.04 0.00 0.00 0.00 0.00 55.73 55.19 1qjs s ARG 157 Cb -0.17 -2.53 0.10 0.00 0.00 0.00 0.00 34.95 32.35 1qjs s ARG 157 CO 0.15 0.50 0.06 0.45 0.00 0.00 0.00 175.30 176.46 1qjs s SER 158 N -2.70 4.74 -0.41 0.23 0.15 -1.26 -3.73 113.70 110.71 1qjs s SER 158 Ca 0.28 -2.20 -0.04 0.00 0.70 0.00 0.00 55.95 54.69 1qjs s SER 158 Cb -0.11 -1.62 0.10 0.00 -1.71 0.00 0.00 66.02 62.69 1qjs s SER 158 CO 0.20 -0.37 0.20 0.26 1.20 0.00 0.00 173.24 174.73 1qjs s TRP 159 N 0.85 3.53 0.19 3.44 0.51 -1.26 -4.97 118.94 121.23 1qjs s TRP 159 Ca 0.11 -2.27 0.17 0.00 -2.12 0.00 0.00 56.10 52.00 1qjs s TRP 159 Cb -0.19 -3.15 0.62 0.00 -0.81 0.00 0.00 33.47 29.95 1qjs s TRP 159 CO -0.08 -0.95 1.72 -1.35 -0.51 0.00 0.00 176.95 175.77 1qjs h PRO 160 N 8.11 0.00 0.04 4.98 0.11 -1.95 -3.28 132.00 140.00 1qjs h PRO 160 Ca -0.15 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.80 1qjs h PRO 160 Cb 1.05 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.18 1qjs h PRO 160 CO 0.70 0.42 -0.66 0.00 -0.21 0.00 0.00 178.00 178.25 1qjs h ALA 161 N 1.58 0.02 -2.76 -0.75 0.00 -1.94 -3.42 119.26 112.00 1qjs h ALA 161 Ca -0.00 -0.61 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 1qjs h ALA 161 Cb 0.92 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.79 1qjs h ALA 161 CO 0.05 0.35 0.54 0.08 0.00 0.00 0.00 179.25 180.28 1qjs s VAL 162 N -2.97 3.39 0.00 0.00 1.01 -1.24 -4.99 120.40 115.61 1qjs s VAL 162 Ca -0.13 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1qjs s VAL 162 Cb 0.03 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1qjs s VAL 162 CO 0.82 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.80 1qjs n GLY 163 N 1.58 0.56 3.38 4.51 0.00 -1.26 -4.85 105.19 109.12 1qjs n GLY 163 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1qjs n GLY 163 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qjs s ASN 164 N -0.75 5.51 -0.14 1.61 -0.87 -1.26 -4.67 114.94 114.37 1qjs s ASN 164 Ca 0.00 -0.79 -0.18 0.00 -1.57 0.00 0.00 52.86 50.31 1qjs s ASN 164 Cb 0.00 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.25 39.22 1qjs s ASN 164 CO 0.00 -0.28 0.49 0.00 -2.57 0.00 0.00 177.10 174.74 1qjs h THR 166 N 4.84 0.00 -2.01 0.00 1.35 -0.48 -3.39 112.91 113.22 1qjs h THR 166 Ca -0.39 -0.79 0.21 0.00 -0.55 0.00 0.00 66.41 64.89 1qjs h THR 166 Cb 1.17 1.79 -0.12 0.00 -1.73 0.00 0.00 68.15 69.27 1qjs h THR 166 CO 0.75 0.00 0.61 -0.94 -0.25 0.00 0.00 175.52 175.69 1qjs s SER 167 N -5.56 -0.18 -0.19 5.36 1.04 -1.23 -4.55 113.70 108.39 1qjs s SER 167 Ca 0.08 -0.22 -0.28 0.00 0.48 0.00 0.00 55.95 56.02 1qjs s SER 167 Cb 0.08 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.64 1qjs s SER 167 CO 0.64 -0.62 0.83 0.00 0.98 0.00 0.00 173.24 175.07 1qjs s ALA 168 N -2.94 -1.85 0.12 5.32 0.00 -1.26 -0.79 121.76 120.36 1qjs s ALA 168 Ca 0.11 1.72 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 1qjs s ALA 168 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1qjs s ALA 168 CO -0.02 -0.32 0.10 -0.48 0.00 0.00 0.00 175.76 175.04 1qjs s LEU 169 N -0.34 1.69 -0.13 0.00 0.05 -0.75 -4.50 118.68 114.70 1qjs s LEU 169 Ca -0.03 -1.08 -0.01 0.00 0.05 0.00 0.00 54.13 53.07 1qjs s LEU 169 Cb -0.03 0.51 -0.02 0.00 -2.05 0.00 0.00 46.19 44.60 1qjs s LEU 169 CO 0.02 -0.74 -0.10 -0.60 -0.55 0.00 0.00 176.35 174.38 1qjs s ARG 170 N -4.00 3.42 -0.07 1.48 3.52 -1.26 0.30 118.95 122.34 1qjs s ARG 170 Ca 0.19 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1qjs s ARG 170 Cb 0.07 -2.72 0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1qjs s ARG 170 CO -0.01 0.27 0.12 -0.46 -0.81 0.00 0.00 175.30 174.41 1qjs s TRP 171 N 0.25 -0.09 -1.46 5.12 -0.00 0.13 -4.86 118.94 118.02 1qjs s TRP 171 Ca -0.07 0.47 -0.14 0.00 -0.00 0.00 0.00 56.10 56.36 1qjs s TRP 171 Cb -0.15 -0.31 0.11 0.00 -0.00 0.00 0.00 33.47 33.13 1qjs s TRP 171 CO 0.04 -0.23 0.65 1.28 -0.00 0.00 0.00 176.95 178.69 1qjs n LEU 172 N 5.15 -1.63 0.00 5.86 4.77 -1.26 -0.73 117.00 129.15 1qjs n LEU 172 Ca -0.08 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1qjs n LEU 172 Cb 0.50 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1qjs n LEU 172 CO 0.07 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1qjs n GLY 173 N -1.28 1.29 3.81 -0.72 0.00 -1.26 -5.00 105.19 102.03 1qjs n GLY 173 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1qjs n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjs s ARG 174 N -0.61 3.28 -0.21 1.61 0.52 0.09 -5.08 118.95 118.54 1qjs s ARG 174 Ca 0.00 -0.23 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 1qjs s ARG 174 Cb 0.00 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1qjs s ARG 174 CO 0.00 0.75 0.04 0.71 0.02 0.00 0.00 175.30 176.82 1qjs s TYR 175 N -0.98 3.10 0.07 -0.53 1.51 -1.26 0.19 117.35 119.46 1qjs s TYR 175 Ca 0.14 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1qjs s TYR 175 Cb -0.12 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1qjs s TYR 175 CO 0.03 -0.18 -0.14 0.71 -1.11 0.00 0.00 175.55 174.87 1qjs s TYR 176 N 1.06 2.66 -0.22 2.71 2.02 0.15 -2.41 117.35 123.32 1qjs s TYR 176 Ca 0.03 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1qjs s TYR 176 Cb -0.14 -1.45 0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1qjs s TYR 176 CO 0.03 0.36 -0.04 0.00 -1.57 0.00 0.00 175.55 174.32 1qjs s PHE 178 N 1.47 3.63 -0.72 0.00 0.40 0.03 -2.08 117.98 120.72 1qjs s PHE 178 Ca -0.05 1.39 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 1qjs s PHE 178 Cb -0.18 -2.87 0.24 0.00 0.51 0.00 0.00 43.02 40.72 1qjs s PHE 178 CO -0.07 0.12 0.80 1.04 0.70 0.00 0.00 175.22 177.82 1qjs n GLN 179 N 3.55 2.68 0.00 0.44 6.02 0.10 0.20 117.38 130.37 1qjs n GLN 179 Ca -0.00 -4.62 0.00 0.00 -0.01 0.00 0.00 57.00 52.36 1qjs n GLN 179 Cb 0.51 -2.31 0.00 0.00 1.02 0.00 0.00 30.24 29.46 1qjs n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qjs n GLY 180 N 1.16 2.04 0.20 1.08 0.00 -1.26 -2.38 105.19 106.04 1qjs n GLY 180 Ca 0.27 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.52 1qjs n GLY 180 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qjs h ASN 181 N 0.00 0.00 -1.28 1.61 -0.73 -1.93 -3.42 115.58 109.84 1qjs h ASN 181 Ca 0.00 0.00 -0.64 0.00 1.87 0.00 0.00 56.30 57.53 1qjs h ASN 181 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.46 1qjs h ASN 181 CO 0.00 0.00 -0.56 -1.10 -0.37 0.00 0.00 177.43 175.40 1qjs s GLN 182 N -3.50 2.04 0.15 6.67 -0.21 -1.00 -1.67 119.66 122.14 1qjs s GLN 182 Ca 0.02 -2.23 -0.17 0.00 0.02 0.00 0.00 55.36 53.00 1qjs s GLN 182 Cb 0.09 -1.47 0.04 0.00 1.00 0.00 0.00 33.01 32.67 1qjs s GLN 182 CO 0.45 -0.23 0.45 -0.59 -2.12 0.00 0.00 175.29 173.26 1qjs s PHE 183 N -2.86 -0.20 -0.05 0.91 -0.71 -0.40 0.00 117.98 114.68 1qjs s PHE 183 Ca 0.21 -0.11 -0.04 0.00 -1.04 0.00 0.00 56.93 55.95 1qjs s PHE 183 Cb 0.06 0.32 0.01 0.00 -1.21 0.00 0.00 43.02 42.20 1qjs s PHE 183 CO 0.11 -0.78 0.12 -0.48 -1.34 0.00 0.00 175.22 172.85 1qjs s LEU 184 N -2.82 1.48 0.23 -1.99 0.05 -0.88 -1.29 118.68 113.45 1qjs s LEU 184 Ca 0.05 0.24 -0.20 0.00 0.05 0.00 0.00 54.13 54.27 1qjs s LEU 184 Cb 0.01 0.40 -0.08 0.00 -2.05 0.00 0.00 46.19 44.47 1qjs s LEU 184 CO -0.09 -0.05 0.73 -0.60 -0.55 0.00 0.00 176.35 175.79 1qjs s ARG 185 N 0.15 4.26 0.06 1.48 3.52 -1.26 -2.31 118.95 124.85 1qjs s ARG 185 Ca -0.01 0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 56.45 1qjs s ARG 185 Cb -0.02 -2.87 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1qjs s ARG 185 CO -0.00 0.39 0.02 -0.59 -0.81 0.00 0.00 175.30 174.30 1qjs s PHE 186 N -1.53 0.43 -0.24 5.12 -0.71 -1.01 -4.13 117.98 115.91 1qjs s PHE 186 Ca 0.43 -0.93 -0.23 0.00 -1.04 0.00 0.00 56.93 55.16 1qjs s PHE 186 Cb -0.17 -0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.32 1qjs s PHE 186 CO 0.21 -0.41 0.76 1.21 -1.34 0.00 0.00 175.22 175.66 1qjs s ASN 187 N -2.83 6.77 0.46 1.98 3.84 -0.59 -4.52 114.94 120.04 1qjs s ASN 187 Ca 0.05 0.95 0.26 0.00 0.21 0.00 0.00 52.86 54.33 1qjs s ASN 187 Cb 0.06 -2.41 1.41 0.00 -0.55 0.00 0.00 41.25 39.76 1qjs s ASN 187 CO -0.10 -0.45 1.77 1.55 -2.79 0.00 0.00 177.10 177.08 1qjs h PRO 188 N 7.69 0.00 0.00 0.43 0.13 -1.92 0.86 132.00 139.18 1qjs h PRO 188 Ca -0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.62 1qjs h PRO 188 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1qjs h PRO 188 CO 0.84 0.00 -1.71 0.28 -0.23 0.00 0.00 178.00 177.17 1qjs n VAL 189 N -2.49 1.51 0.02 1.56 0.31 -1.26 -4.74 118.33 113.23 1qjs n VAL 189 Ca -0.02 -0.12 -0.06 0.00 -0.01 0.00 0.00 64.34 64.13 1qjs n VAL 189 Cb 0.18 -2.09 -0.11 0.00 -0.91 0.00 0.00 33.84 30.91 1qjs n VAL 189 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1qjs h SER 190 N -1.00 0.00 0.00 4.52 4.64 -1.92 -3.49 113.55 116.30 1qjs h SER 190 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1qjs h SER 190 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1qjs h SER 190 CO -0.23 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1qjs n GLY 191 N 1.46 0.70 3.73 -0.77 0.00 0.29 -4.93 105.19 105.66 1qjs n GLY 191 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1qjs n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qjs s GLU 192 N -0.30 4.57 -0.21 1.61 2.02 -1.26 -4.27 118.70 120.86 1qjs s GLU 192 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 54.97 56.54 1qjs s GLU 192 Cb 0.00 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1qjs s GLU 192 CO 0.00 0.00 0.05 0.08 0.02 0.00 0.00 175.26 175.42 1qjs s VAL 193 N 0.33 4.46 0.63 2.63 1.01 -1.26 -1.54 120.40 126.66 1qjs s VAL 193 Ca 0.51 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 1qjs s VAL 193 Cb -0.27 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1qjs s VAL 193 CO 0.31 0.41 1.23 -2.84 0.00 0.00 0.00 175.10 174.22 1qjs s PRO 194 N 0.89 2.71 0.35 2.72 0.02 -1.26 -4.93 135.00 135.51 1qjs s PRO 194 Ca 0.03 1.89 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 1qjs s PRO 194 Cb -0.14 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 1qjs s PRO 194 CO 0.02 -1.42 1.43 -1.25 -0.33 0.00 0.00 177.00 175.45 1qjs s PRO 195 N -3.44 4.20 0.00 5.54 0.04 -1.26 -3.90 135.00 136.18 1qjs s PRO 195 Ca 0.79 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.27 1qjs s PRO 195 Cb -0.32 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1qjs s PRO 195 CO 0.37 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1qjs n GLY 196 N 0.70 1.89 3.20 0.56 0.00 -1.26 -5.14 105.19 105.14 1qjs n GLY 196 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1qjs n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjs s TYR 197 N -2.00 1.15 0.87 1.61 2.02 -1.25 -4.67 117.35 115.07 1qjs s TYR 197 Ca 0.00 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 55.91 1qjs s TYR 197 Cb 0.00 -0.61 0.11 0.00 -0.40 0.00 0.00 41.96 41.06 1qjs s TYR 197 CO 0.00 0.03 1.11 -2.14 -1.57 0.00 0.00 175.55 172.98 1qjs s PRO 198 N -3.00 1.50 0.13 -1.71 0.02 -1.26 -5.09 135.00 125.59 1qjs s PRO 198 Ca 0.08 0.57 0.05 0.00 0.02 0.00 0.00 61.00 61.73 1qjs s PRO 198 Cb -0.02 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1qjs s PRO 198 CO 0.00 -2.01 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.03 1qjs s LEU 199 N -6.00 2.45 -0.01 -5.54 1.02 -0.41 -4.95 118.68 105.23 1qjs s LEU 199 Ca 0.63 -0.88 -0.22 0.00 0.02 0.00 0.00 54.13 53.67 1qjs s LEU 199 Cb -0.16 -0.44 -0.05 0.00 0.02 0.00 0.00 46.19 45.56 1qjs s LEU 199 CO 0.55 -0.23 0.66 -0.62 0.02 0.00 0.00 176.35 176.73 1qjs s ASP 200 N -2.71 7.03 0.28 2.29 -1.08 -1.26 -1.27 116.67 119.96 1qjs s ASP 200 Ca 0.11 1.23 -0.03 0.00 -0.52 0.00 0.00 52.55 53.35 1qjs s ASP 200 Cb -0.02 -2.40 0.40 0.00 -1.46 0.00 0.00 42.92 39.44 1qjs s ASP 200 CO 0.02 0.03 1.95 0.58 0.52 0.00 0.00 175.17 178.26 1qjs h VAL 201 N 4.28 1.20 0.00 1.11 2.07 -1.63 -2.67 116.25 120.61 1qjs h VAL 201 Ca -0.44 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1qjs h VAL 201 Cb 1.20 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1qjs h VAL 201 CO 0.71 0.22 0.00 0.54 0.02 0.00 0.00 177.57 179.06 1qjs n ARG 202 N -4.41 0.79 0.00 1.57 1.74 -1.26 -1.78 116.66 113.30 1qjs n ARG 202 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1qjs n ARG 202 Cb 0.05 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1qjs n ARG 202 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qjs n ASP 203 N 0.51 1.53 0.00 0.55 8.00 -1.01 -4.34 116.55 121.80 1qjs n ASP 203 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1qjs n ASP 203 Cb 0.36 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1qjs n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qjs n TYR 204 N -0.61 0.00 0.26 1.24 4.01 -1.05 -3.17 117.16 117.84 1qjs n TYR 204 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1qjs n TYR 204 Cb 0.05 0.00 0.70 0.00 -0.31 0.00 0.00 39.34 39.77 1qjs n TYR 204 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1qjs h PHE 205 N 0.00 0.00 -4.22 -0.72 0.04 -1.63 -3.43 116.94 106.98 1qjs h PHE 205 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1qjs h PHE 205 Cb 0.00 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 37.85 1qjs h PHE 205 CO 0.00 0.13 -0.86 -0.51 -0.60 0.00 0.00 178.31 176.47 1qjs s LEU 206 N -7.21 2.02 -0.89 1.54 1.02 -0.91 -4.28 118.68 109.97 1qjs s LEU 206 Ca -0.02 -0.41 -0.20 0.00 0.02 0.00 0.00 54.13 53.51 1qjs s LEU 206 Cb 0.13 -1.14 0.11 0.00 0.02 0.00 0.00 46.19 45.30 1qjs s LEU 206 CO 0.59 0.23 1.14 -0.44 0.02 0.00 0.00 176.35 177.90 1qjs s SER 207 N -0.29 6.52 -0.15 2.29 0.01 -0.56 -3.82 113.70 117.70 1qjs s SER 207 Ca 0.03 -1.76 -0.07 0.00 1.31 0.00 0.00 55.95 55.46 1qjs s SER 207 Cb -0.10 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1qjs s SER 207 CO 0.01 -1.20 0.09 0.00 0.41 0.00 0.00 173.24 172.55 1qjs n PRO 209 N 2.73 1.93 -1.18 0.00 -0.02 -1.26 -1.51 135.00 135.70 1qjs n PRO 209 Ca -0.18 0.69 -0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1qjs n PRO 209 Cb 0.53 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1qjs n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjs n GLY 210 N 1.76 0.80 3.14 -1.23 0.00 -1.26 -4.98 105.19 103.42 1qjs n GLY 210 Ca 0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 1qjs n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qjs s ARG 211 N -2.09 0.57 0.00 1.61 0.52 -0.57 -5.15 118.95 113.84 1qjs s ARG 211 Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1qjs s ARG 211 Cb 0.00 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.71 1qjs s ARG 211 CO 0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1qjs n GLY 212 N 1.11 -2.00 0.12 -3.53 0.00 -1.26 -4.39 105.19 95.23 1qjs n GLY 212 Ca -0.21 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1qjs n GLY 212 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qjs n HIS 213 N 3.49 0.00 -3.10 1.61 1.44 -1.19 -4.90 115.22 112.58 1qjs n HIS 213 Ca 0.00 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.26 1qjs n HIS 213 Cb 0.00 0.03 -0.04 0.00 0.12 0.00 0.00 29.99 30.10 1qjs n HIS 213 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1qjs s ARG 214 N 0.00 3.16 0.00 -1.40 3.00 -1.26 -4.45 118.95 118.00 1qjs s ARG 214 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 55.73 54.28 1qjs s ARG 214 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 34.95 30.60 1qjs s ARG 214 CO 0.00 -1.56 0.00 -1.13 0.00 0.00 0.00 175.30 172.61 1qjs n SER 215 N 6.22 0.00 -4.78 0.23 3.41 -1.26 -5.11 113.62 112.33 1qjs n SER 215 Ca -0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.32 1qjs n SER 215 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1qjs n SER 215 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qjs s SER 216 N 0.00 5.41 -0.30 4.04 1.04 -1.26 -5.08 113.70 117.55 1qjs s SER 216 Ca 0.00 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 1qjs s SER 216 Cb 0.00 -1.37 0.18 0.00 0.10 0.00 0.00 66.02 64.94 1qjs s SER 216 CO 0.00 0.05 1.04 -1.00 0.98 0.00 0.00 173.24 174.31 1qjs s HIS 217 N -1.85 -0.52 0.00 5.02 3.76 -1.26 -4.94 115.29 115.51 1qjs s HIS 217 Ca 0.31 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 1qjs s HIS 217 Cb -0.09 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.71 1qjs s HIS 217 CO 0.23 -0.30 0.00 0.54 -0.85 0.00 0.00 174.74 174.36 1qjs n ARG 218 N 5.22 0.00 -4.41 1.40 1.74 -1.26 -5.14 116.66 114.21 1qjs n ARG 218 Ca 0.05 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.79 1qjs n ARG 218 Cb 0.57 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.86 1qjs n ARG 218 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1qjs s HIS 223 N 1.43 2.88 0.00 -1.55 3.76 -1.26 -4.83 115.29 115.72 1qjs s HIS 223 Ca 0.00 -0.77 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1qjs s HIS 223 Cb 0.00 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1qjs s HIS 223 CO 0.00 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 173.96 1qjs n GLY 224 N 4.01 1.35 3.75 -2.22 0.00 -1.26 -4.33 105.19 106.49 1qjs n GLY 224 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1qjs n GLY 224 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qjs s HIS 225 N -2.53 3.85 0.64 1.61 5.04 -1.26 -4.56 115.29 118.08 1qjs s HIS 225 Ca 0.00 1.84 0.23 0.00 -1.54 0.00 0.00 55.06 55.58 1qjs s HIS 225 Cb 0.00 -3.08 1.23 0.00 0.04 0.00 0.00 32.58 30.77 1qjs s HIS 225 CO 0.00 0.14 1.69 1.49 -2.34 0.00 0.00 174.74 175.71 1qjs h GLU 226 N 4.30 0.00 -0.27 2.88 4.22 -1.96 -1.17 114.58 122.59 1qjs h GLU 226 Ca -0.45 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.03 1qjs h GLU 226 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1qjs h GLU 226 CO 0.68 0.00 0.05 0.77 -2.18 0.00 0.00 179.01 178.33 1qjs h SER 227 N 0.00 -0.01 0.21 1.04 0.02 -1.92 -2.76 113.55 110.13 1qjs h SER 227 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1qjs h SER 227 Cb 0.96 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1qjs h SER 227 CO 0.00 0.03 0.00 0.41 -1.14 0.00 0.00 176.83 176.13 1qjs n THR 228 N -5.10 1.45 -0.31 -2.27 -1.04 -0.44 -4.20 114.28 102.37 1qjs n THR 228 Ca -0.01 0.45 0.15 0.00 -2.04 0.00 0.00 64.05 62.60 1qjs n THR 228 Cb 0.12 -1.37 0.33 0.00 -1.82 0.00 0.00 70.33 67.59 1qjs n THR 228 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1qjs h ARG 229 N 0.00 0.32 -0.50 -2.82 2.43 -1.63 -1.99 114.38 110.19 1qjs h ARG 229 Ca 0.00 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.95 1qjs h ARG 229 Cb 0.10 -0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.46 1qjs h ARG 229 CO 0.00 0.21 0.12 0.00 -1.51 0.00 0.00 179.97 178.80 1qjs s ASP 231 N -1.92 7.12 0.59 0.00 -1.08 -0.75 -4.93 116.67 115.71 1qjs s ASP 231 Ca 0.48 1.39 0.32 0.00 -0.52 0.00 0.00 52.55 54.22 1qjs s ASP 231 Cb 0.41 -2.52 1.88 0.00 -1.46 0.00 0.00 42.92 41.22 1qjs s ASP 231 CO 0.06 -0.49 2.25 1.55 0.52 0.00 0.00 175.17 179.06 1qjs h PRO 232 N 7.26 0.00 -1.05 4.34 0.13 -1.92 -2.06 132.00 138.70 1qjs h PRO 232 Ca -0.27 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.32 1qjs h PRO 232 Cb 1.12 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.98 1qjs h PRO 232 CO 0.88 0.02 0.69 -0.25 -0.23 0.00 0.00 178.00 179.11 1qjs n ASP 233 N -3.69 5.58 -4.71 1.44 8.00 -1.26 -4.73 116.55 117.18 1qjs n ASP 233 Ca -0.03 -3.54 -0.40 0.00 0.71 0.00 0.00 54.79 51.53 1qjs n ASP 233 Cb 0.10 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 1qjs n ASP 233 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qjs s LEU 234 N -3.18 4.30 -0.19 0.64 2.96 -0.78 -5.04 118.68 117.38 1qjs s LEU 234 Ca 0.54 1.18 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 1qjs s LEU 234 Cb 0.44 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1qjs s LEU 234 CO 0.04 -0.14 0.05 -0.69 -1.32 0.00 0.00 176.35 174.30 1qjs s VAL 235 N 0.92 4.59 0.18 1.68 1.01 -1.26 -4.57 120.40 122.95 1qjs s VAL 235 Ca 0.37 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1qjs s VAL 235 Cb -0.18 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1qjs s VAL 235 CO 0.18 0.43 0.21 -0.76 0.00 0.00 0.00 175.10 175.16 1qjs s LEU 236 N 0.65 4.02 0.00 3.92 1.43 -1.26 -4.65 118.68 122.79 1qjs s LEU 236 Ca 0.03 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1qjs s LEU 236 Cb -0.13 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1qjs s LEU 236 CO 0.02 0.04 0.07 -1.54 0.23 0.00 0.00 176.35 175.17 1qjs n SER 237 N -0.62 0.14 -3.61 2.29 3.41 -0.52 -4.71 113.62 110.00 1qjs n SER 237 Ca -0.08 -0.47 -0.08 0.00 -0.26 0.00 0.00 58.87 57.98 1qjs n SER 237 Cb 0.55 0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1qjs n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qjs s ALA 238 N -0.42 -1.57 -0.08 7.33 0.00 -1.24 -4.01 121.76 121.76 1qjs s ALA 238 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.14 1qjs s ALA 238 Cb 0.00 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.88 1qjs s ALA 238 CO 0.00 -0.87 0.40 -1.64 0.00 0.00 0.00 175.76 173.66 1qjs s MET 239 N -3.55 0.65 0.26 0.00 1.00 -1.26 -0.82 119.30 115.58 1qjs s MET 239 Ca 0.07 0.18 -0.16 0.00 0.00 0.00 0.00 55.69 55.77 1qjs s MET 239 Cb -0.02 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.12 1qjs s MET 239 CO -0.04 -0.15 0.58 0.08 0.00 0.00 0.00 175.02 175.49 1qjs s VAL 240 N -0.70 0.00 -0.22 -6.03 1.01 -1.16 -4.51 120.40 108.80 1qjs s VAL 240 Ca -0.08 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.61 1qjs s VAL 240 Cb -0.04 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.34 1qjs s VAL 240 CO 0.04 -0.00 0.47 -0.55 0.00 0.00 0.00 175.10 175.05 1qjs s SER 241 N -2.97 -0.46 0.78 3.32 0.15 -1.26 -2.02 113.70 111.24 1qjs s SER 241 Ca 0.17 1.12 -0.09 0.00 0.70 0.00 0.00 55.95 57.85 1qjs s SER 241 Cb -0.03 1.55 0.10 0.00 -1.71 0.00 0.00 66.02 65.93 1qjs s SER 241 CO 0.08 -0.23 1.11 1.51 1.20 0.00 0.00 173.24 176.91 1qjs s ASP 242 N 2.65 4.32 0.03 5.45 1.47 0.21 -4.76 116.67 126.05 1qjs s ASP 242 Ca -0.03 0.36 0.04 0.00 1.18 0.00 0.00 52.55 54.11 1qjs s ASP 242 Cb -0.12 -0.82 0.19 0.00 -0.34 0.00 0.00 42.92 41.84 1qjs s ASP 242 CO -0.14 -1.94 1.12 -0.46 0.68 0.00 0.00 175.17 174.43 1qjs n ASN 243 N -3.17 0.06 -0.41 2.11 0.23 -1.26 -0.73 115.26 112.09 1qjs n ASN 243 Ca 0.10 0.53 0.10 0.00 -0.53 0.00 0.00 54.58 54.78 1qjs n ASN 243 Cb 0.60 -0.54 -0.02 0.00 -2.08 0.00 0.00 39.78 37.75 1qjs n ASN 243 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1qjs n HIS 244 N -1.58 0.00 0.00 -2.53 8.25 -1.26 -4.97 115.22 113.13 1qjs n HIS 244 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qjs n HIS 244 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1qjs n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qjs n GLY 245 N 1.38 0.59 3.61 -1.41 0.00 0.09 -5.03 105.19 104.41 1qjs n GLY 245 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1qjs n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjs s ALA 246 N -2.00 3.07 -0.21 4.61 0.00 -1.26 -4.76 121.76 121.21 1qjs s ALA 246 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 1qjs s ALA 246 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 1qjs s ALA 246 CO 0.00 -2.32 0.04 0.99 0.00 0.00 0.00 175.76 174.47 1qjs s THR 247 N 5.76 4.35 0.42 0.00 2.01 -1.26 -0.62 115.64 126.29 1qjs s THR 247 Ca 0.69 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.58 1qjs s THR 247 Cb -0.19 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.27 1qjs s THR 247 CO 0.31 0.41 0.04 -0.31 -0.69 0.00 0.00 174.62 174.39 1qjs s TYR 248 N 0.92 2.47 -0.15 4.92 1.51 -0.86 0.00 117.35 126.17 1qjs s TYR 248 Ca 0.03 -0.68 -0.05 0.00 -1.01 0.00 0.00 57.07 55.35 1qjs s TYR 248 Cb -0.14 -1.80 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1qjs s TYR 248 CO 0.02 0.38 0.31 0.54 -1.11 0.00 0.00 175.55 175.69 1qjs s VAL 249 N -2.71 -0.48 0.40 0.71 0.11 -0.83 -2.98 120.40 114.62 1qjs s VAL 249 Ca 0.34 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.54 1qjs s VAL 249 Cb 0.08 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1qjs s VAL 249 CO 0.18 0.10 0.74 -0.36 -3.33 0.00 0.00 175.10 172.43 1qjs s PHE 250 N 2.47 3.48 -0.30 1.54 0.40 0.00 -0.90 117.98 124.67 1qjs s PHE 250 Ca 0.01 0.97 -0.07 0.00 -0.60 0.00 0.00 56.93 57.24 1qjs s PHE 250 Cb -0.12 -2.39 0.18 0.00 0.51 0.00 0.00 43.02 41.20 1qjs s PHE 250 CO -0.10 -0.08 0.80 0.45 0.70 0.00 0.00 175.22 176.99 1qjs s SER 251 N -3.23 -0.96 1.92 1.36 0.15 -0.90 -1.44 113.70 110.59 1qjs s SER 251 Ca 0.50 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1qjs s SER 251 Cb -0.10 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1qjs s SER 251 CO 0.32 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1qjs n GLY 252 N 5.41 3.63 0.68 9.45 0.00 -1.26 -1.51 105.19 121.58 1qjs n GLY 252 Ca -0.05 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1qjs n GLY 252 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qjs n SER 253 N 9.59 2.40 -3.20 1.61 7.64 -1.26 -4.21 113.62 126.19 1qjs n SER 253 Ca 0.00 -1.70 -0.13 0.00 1.01 0.00 0.00 58.87 58.05 1qjs n SER 253 Cb 0.00 0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1qjs n SER 253 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1qjs n HIS 254 N 0.57 -0.13 -4.04 1.43 -0.00 -0.57 -1.83 115.22 110.65 1qjs n HIS 254 Ca 0.11 -1.07 -0.10 0.00 -0.00 0.00 0.00 57.72 56.66 1qjs n HIS 254 Cb 0.50 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.99 30.26 1qjs n HIS 254 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1qjs s TYR 255 N -1.56 0.55 -0.10 4.41 -0.85 0.42 -2.12 117.35 118.11 1qjs s TYR 255 Ca 0.05 -0.88 -0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1qjs s TYR 255 Cb -0.00 -0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.34 1qjs s TYR 255 CO 0.03 -0.87 -0.06 -1.58 -1.52 0.00 0.00 175.55 171.55 1qjs s TRP 256 N -4.04 1.28 0.14 -3.49 0.51 -0.08 -2.61 118.94 110.65 1qjs s TRP 256 Ca 0.25 -0.58 -0.24 0.00 -2.12 0.00 0.00 56.10 53.41 1qjs s TRP 256 Cb 0.02 -1.10 -0.08 0.00 -0.81 0.00 0.00 33.47 31.50 1qjs s TRP 256 CO 0.08 -0.44 0.74 0.50 -0.51 0.00 0.00 176.95 177.33 1qjs s ARG 257 N 1.62 4.51 -0.21 4.98 3.52 -1.26 -1.97 118.95 130.14 1qjs s ARG 257 Ca 0.02 1.09 -0.07 0.00 -0.13 0.00 0.00 55.73 56.64 1qjs s ARG 257 Cb -0.13 -3.26 -0.11 0.00 -1.56 0.00 0.00 34.95 29.89 1qjs s ARG 257 CO -0.06 0.57 -0.25 1.28 -0.81 0.00 0.00 175.30 176.03 1qjs n LEU 258 N 1.68 1.99 0.22 -0.88 4.77 0.10 -4.60 117.00 120.27 1qjs n LEU 258 Ca -0.06 0.15 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1qjs n LEU 258 Cb 0.49 -0.66 0.71 0.00 -2.33 0.00 0.00 43.42 41.63 1qjs n LEU 258 CO 0.45 0.57 1.14 -2.24 -1.33 0.00 0.00 177.39 175.99 1qjs h ASP 259 N -0.53 0.00 -0.37 -1.43 2.03 -1.87 0.14 116.42 114.38 1qjs h ASP 259 Ca -0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1qjs h ASP 259 Cb 1.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.05 1qjs h ASP 259 CO -0.25 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.31 1qjs n THR 260 N -3.17 1.13 0.04 1.15 -2.24 -1.26 -4.64 114.28 105.28 1qjs n THR 260 Ca 0.03 -0.70 0.01 0.00 -2.27 0.00 0.00 64.05 61.12 1qjs n THR 260 Cb 0.58 -0.08 0.08 0.00 -2.10 0.00 0.00 70.33 68.81 1qjs n THR 260 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1qjs n ASN 261 N 0.53 0.07 0.05 3.42 6.94 0.47 -1.09 115.26 125.66 1qjs n ASN 261 Ca 0.15 0.34 -0.07 0.00 -0.02 0.00 0.00 54.58 54.99 1qjs n ASN 261 Cb 0.60 -0.33 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 1qjs n ASN 261 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1qjs h ARG 262 N 0.00 0.00 -0.00 -3.83 9.65 -1.87 -3.20 114.38 115.13 1qjs h ARG 262 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1qjs h ARG 262 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1qjs h ARG 262 CO 0.00 0.95 -0.06 -0.25 2.80 0.00 0.00 179.97 183.41 1qjs n ASP 263 N -3.32 0.22 0.00 -3.80 8.00 -0.25 -4.04 116.55 113.36 1qjs n ASP 263 Ca -0.01 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1qjs n ASP 263 Cb 0.95 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 1qjs n ASP 263 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qjs n GLY 264 N 1.28 0.28 3.16 0.44 0.00 -1.21 -4.96 105.19 104.18 1qjs n GLY 264 Ca 0.14 -2.30 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 1qjs n GLY 264 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qjs s TRP 265 N -0.13 1.29 -0.30 1.61 0.52 -1.26 -4.45 118.94 116.22 1qjs s TRP 265 Ca 0.00 -0.38 -0.17 0.00 0.02 0.00 0.00 56.10 55.57 1qjs s TRP 265 Cb 0.00 -0.75 0.20 0.00 -1.15 0.00 0.00 33.47 31.77 1qjs s TRP 265 CO 0.00 0.05 1.24 -1.58 0.02 0.00 0.00 176.95 176.68 1qjs s HIS 266 N -0.95 -0.12 0.54 -1.98 2.46 -1.26 -5.18 115.29 108.80 1qjs s HIS 266 Ca 0.01 0.25 -0.12 0.00 0.47 0.00 0.00 55.06 55.68 1qjs s HIS 266 Cb -0.08 0.11 -0.05 0.00 -0.13 0.00 0.00 32.58 32.42 1qjs s HIS 266 CO 0.02 -0.06 0.94 -1.12 -2.47 0.00 0.00 174.74 172.05 1qjs s SER 267 N 0.99 6.39 0.01 9.88 0.01 -1.26 -4.55 113.70 125.17 1qjs s SER 267 Ca -0.07 1.35 -0.09 0.00 1.31 0.00 0.00 55.95 58.45 1qjs s SER 267 Cb -0.03 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1qjs s SER 267 CO -0.11 -0.67 0.18 0.26 0.41 0.00 0.00 173.24 173.31 1qjs s TRP 268 N -2.83 0.02 0.67 2.43 0.23 -1.07 -4.88 118.94 113.49 1qjs s TRP 268 Ca 0.54 -0.13 -0.14 0.00 -2.03 0.00 0.00 56.10 54.35 1qjs s TRP 268 Cb -0.10 -0.03 0.00 0.00 0.03 0.00 0.00 33.47 33.37 1qjs s TRP 268 CO 0.43 -0.35 1.08 -2.14 0.96 0.00 0.00 176.95 176.93 1qjs s PRO 269 N -1.75 2.88 0.26 4.98 0.02 -1.26 -0.43 135.00 139.69 1qjs s PRO 269 Ca -0.12 1.23 -0.02 0.00 0.02 0.00 0.00 61.00 62.11 1qjs s PRO 269 Cb -0.05 -1.97 0.33 0.00 0.02 0.00 0.00 34.50 32.82 1qjs s PRO 269 CO 0.00 -1.17 1.76 0.82 -0.33 0.00 0.00 177.00 178.08 1qjs h ILE 270 N -0.17 1.24 -0.05 2.83 2.04 -1.64 -2.17 117.51 119.59 1qjs h ILE 270 Ca -0.46 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.41 1qjs h ILE 270 Cb 1.23 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1qjs h ILE 270 CO 0.55 0.35 0.09 0.00 0.00 0.00 0.00 178.15 179.14 1qjs h ALA 271 N 1.25 1.46 -0.37 1.87 0.00 -1.83 0.58 119.26 122.22 1qjs h ALA 271 Ca 0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1qjs h ALA 271 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1qjs h ALA 271 CO 0.02 -0.11 -0.21 0.45 0.00 0.00 0.00 179.25 179.39 1qjs h HIS 272 N 0.00 0.92 0.00 0.00 3.86 -1.75 -3.23 115.15 114.95 1qjs h HIS 272 Ca 0.03 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1qjs h HIS 272 Cb 0.20 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1qjs h HIS 272 CO 0.00 0.99 -1.89 0.94 0.86 0.00 0.00 177.93 178.83 1qjs n GLN 273 N -4.25 0.60 -3.77 2.45 -0.06 -1.03 -4.69 117.38 106.63 1qjs n GLN 273 Ca -0.02 -0.18 -0.29 0.00 -2.00 0.00 0.00 57.00 54.51 1qjs n GLN 273 Cb 0.43 -1.47 -0.12 0.00 -4.06 0.00 0.00 30.24 25.02 1qjs n GLN 273 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1qjs s TRP 274 N -3.37 2.59 0.05 3.69 0.51 0.17 -4.31 118.94 118.27 1qjs s TRP 274 Ca -0.07 -2.85 -0.09 0.00 -2.12 0.00 0.00 56.10 50.96 1qjs s TRP 274 Cb 0.13 -2.18 -0.02 0.00 -0.81 0.00 0.00 33.47 30.59 1qjs s TRP 274 CO 0.82 -0.70 0.99 -0.35 -0.51 0.00 0.00 176.95 177.20 1qjs n PRO 275 N 2.82 -0.13 -1.02 4.98 -0.04 -1.22 -2.38 135.00 138.00 1qjs n PRO 275 Ca 0.15 0.98 -0.12 0.00 -0.04 0.00 0.00 63.50 64.47 1qjs n PRO 275 Cb 0.36 -1.46 0.23 0.00 -0.04 0.00 0.00 33.50 32.60 1qjs n PRO 275 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1qjs n GLN 276 N -3.60 2.65 -0.93 0.54 6.02 -1.26 -4.88 117.38 115.91 1qjs n GLN 276 Ca 0.01 -3.07 -0.06 0.00 -0.01 0.00 0.00 57.00 53.86 1qjs n GLN 276 Cb 0.08 -2.09 0.04 0.00 1.02 0.00 0.00 30.24 29.29 1qjs n GLN 276 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qjs n GLY 277 N -0.80 0.16 3.70 1.08 0.00 -1.00 -4.96 105.19 103.37 1qjs n GLY 277 Ca 0.46 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1qjs n GLY 277 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qjs s PRO 278 N -3.28 0.78 0.12 1.61 0.04 -1.26 -4.95 135.00 128.07 1qjs s PRO 278 Ca 0.18 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1qjs s PRO 278 Cb -0.01 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 1qjs s PRO 278 CO 0.12 -2.51 1.28 0.66 0.04 0.00 0.00 177.00 176.58 1qjs h SER 279 N -1.74 0.36 -5.32 6.66 4.64 -1.97 -3.43 113.55 112.76 1qjs h SER 279 Ca -0.52 -0.32 -0.29 0.00 -0.47 0.00 0.00 61.79 60.19 1qjs h SER 279 Cb 1.31 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1qjs h SER 279 CO 0.57 1.17 -0.61 0.42 -0.87 0.00 0.00 176.83 177.51 1qjs s THR 280 N -3.00 0.14 -0.05 2.95 -4.23 -1.26 -4.11 115.64 106.08 1qjs s THR 280 Ca -0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1qjs s THR 280 Cb 0.09 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.43 1qjs s THR 280 CO 0.85 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 174.33 1qjs s VAL 281 N -4.00 -0.12 -0.11 2.29 1.01 -1.26 -4.70 120.40 113.51 1qjs s VAL 281 Ca 0.39 0.33 0.17 0.00 0.00 0.00 0.00 61.98 62.86 1qjs s VAL 281 Cb 0.07 -0.18 -0.20 0.00 0.00 0.00 0.00 36.38 36.07 1qjs s VAL 281 CO 0.14 0.14 0.60 0.47 0.00 0.00 0.00 175.10 176.45 1qjs n ASP 282 N 4.89 0.61 -3.54 3.32 8.00 -0.11 -4.32 116.55 125.40 1qjs n ASP 282 Ca -0.13 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1qjs n ASP 282 Cb 0.50 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.02 1qjs n ASP 282 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qjs s ALA 283 N -2.82 -1.33 -0.13 2.24 0.00 -1.08 -4.15 121.76 114.50 1qjs s ALA 283 Ca -0.05 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1qjs s ALA 283 Cb 0.08 0.84 0.11 0.00 0.00 0.00 0.00 23.12 24.15 1qjs s ALA 283 CO 0.83 -0.76 0.90 0.00 0.00 0.00 0.00 175.76 176.72 1qjs s ALA 284 N -3.79 -1.88 0.25 0.00 0.00 -1.26 -1.46 121.76 113.62 1qjs s ALA 284 Ca 0.03 1.51 -0.19 0.00 0.00 0.00 0.00 51.96 53.31 1qjs s ALA 284 Cb -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1qjs s ALA 284 CO -0.10 -0.33 0.62 -0.59 0.00 0.00 0.00 175.76 175.36 1qjs s PHE 285 N -1.13 -0.06 0.01 0.00 -0.12 -1.00 -4.46 117.98 111.21 1qjs s PHE 285 Ca -0.05 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 56.52 1qjs s PHE 285 Cb -0.00 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1qjs s PHE 285 CO 0.04 -1.10 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.48 1qjs s SER 286 N -2.93 1.03 -0.09 1.98 1.04 -1.26 -1.25 113.70 112.22 1qjs s SER 286 Ca 0.13 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 1qjs s SER 286 Cb -0.04 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.05 1qjs s SER 286 CO 0.05 0.02 0.21 0.86 0.98 0.00 0.00 173.24 175.36 1qjs s TRP 287 N -0.54 -0.26 0.00 5.02 -0.00 -0.84 -4.69 118.94 117.62 1qjs s TRP 287 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 56.10 56.75 1qjs s TRP 287 Cb -0.05 0.02 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 1qjs s TRP 287 CO 0.00 -0.18 0.00 0.39 -0.00 0.00 0.00 176.95 177.16 1qjs n GLU 288 N 3.89 0.00 -0.98 5.86 1.02 -1.26 -2.21 120.64 126.96 1qjs n GLU 288 Ca -0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.82 1qjs n GLU 288 Cb 0.54 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 32.19 1qjs n GLU 288 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1qjs n ASP 289 N 5.40 3.71 -4.24 1.62 5.75 -1.26 -4.83 116.55 122.70 1qjs n ASP 289 Ca 0.00 -3.49 -0.19 0.00 -0.01 0.00 0.00 54.79 51.10 1qjs n ASP 289 Cb 0.00 -0.73 -0.11 0.00 -1.03 0.00 0.00 41.12 39.25 1qjs n ASP 289 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qjs s LYS 290 N -3.16 1.01 -0.13 0.11 1.02 -0.94 -2.99 119.74 114.66 1qjs s LYS 290 Ca 0.52 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1qjs s LYS 290 Cb 0.44 -0.97 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 1qjs s LYS 290 CO 0.08 0.20 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.13 1qjs s LEU 291 N -2.26 3.07 -0.21 3.17 1.43 -0.73 -1.99 118.68 121.16 1qjs s LEU 291 Ca 0.07 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1qjs s LEU 291 Cb -0.07 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1qjs s LEU 291 CO 0.03 0.20 0.05 -0.31 0.23 0.00 0.00 176.35 176.55 1qjs s TYR 292 N 0.16 3.12 -0.11 0.29 1.51 -0.38 -1.40 117.35 120.53 1qjs s TYR 292 Ca -0.04 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1qjs s TYR 292 Cb -0.14 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1qjs s TYR 292 CO 0.04 -0.16 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.65 1qjs s LEU 293 N 1.05 2.62 -0.10 -1.29 1.43 -0.31 -2.38 118.68 119.69 1qjs s LEU 293 Ca 0.03 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1qjs s LEU 293 Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 1qjs s LEU 293 CO 0.03 0.19 -0.23 -0.63 0.23 0.00 0.00 176.35 175.94 1qjs s ILE 294 N 0.17 2.00 -0.08 -0.59 1.01 -0.53 -0.04 121.20 123.15 1qjs s ILE 294 Ca -0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 1qjs s ILE 294 Cb -0.15 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1qjs s ILE 294 CO 0.05 0.55 -0.04 -1.58 0.00 0.00 0.00 174.94 173.92 1qjs s GLN 295 N 0.43 0.99 0.00 2.79 0.74 -0.73 -0.93 119.66 122.95 1qjs s GLN 295 Ca -0.17 -0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.17 1qjs s GLN 295 Cb -0.18 -1.16 0.00 0.00 1.10 0.00 0.00 33.01 32.77 1qjs s GLN 295 CO 0.07 -0.23 0.00 -0.40 -0.55 0.00 0.00 175.29 174.18 1qjs n ASP 296 N 4.81 0.00 0.00 6.67 5.68 -1.26 -0.05 116.55 132.40 1qjs n ASP 296 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 1qjs n ASP 296 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1qjs n ASP 296 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1qjs n THR 297 N 0.00 0.15 -3.64 2.12 -1.04 -1.26 -3.84 114.28 106.77 1qjs n THR 297 Ca 0.00 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.05 61.40 1qjs n THR 297 Cb 0.00 1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 69.70 1qjs n THR 297 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qjs s LYS 298 N -0.15 4.01 -0.17 -2.82 1.02 0.92 0.19 119.74 122.74 1qjs s LYS 298 Ca 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 1qjs s LYS 298 Cb 0.00 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1qjs s LYS 298 CO 0.00 -0.03 0.08 0.08 -0.92 0.00 0.00 175.35 174.56 1qjs s VAL 299 N 1.32 4.96 0.01 3.17 1.01 0.61 -1.77 120.40 129.71 1qjs s VAL 299 Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1qjs s VAL 299 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1qjs s VAL 299 CO 0.07 0.48 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 1qjs s TYR 300 N 0.16 2.59 -0.06 5.22 1.51 0.94 -1.69 117.35 126.01 1qjs s TYR 300 Ca 0.06 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1qjs s TYR 300 Cb -0.12 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1qjs s TYR 300 CO 0.00 0.22 -0.15 0.08 -1.11 0.00 0.00 175.55 174.60 1qjs s VAL 301 N -0.86 1.30 0.10 0.71 1.01 -1.26 -1.17 120.40 120.23 1qjs s VAL 301 Ca 0.14 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1qjs s VAL 301 Cb -0.11 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1qjs s VAL 301 CO 0.04 0.39 -0.24 -0.36 0.00 0.00 0.00 175.10 174.92 1qjs s PHE 302 N 0.43 2.08 0.14 5.22 0.40 -0.50 -0.33 117.98 125.42 1qjs s PHE 302 Ca -0.12 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1qjs s PHE 302 Cb -0.14 -1.16 -0.07 0.00 0.51 0.00 0.00 43.02 42.16 1qjs s PHE 302 CO 0.04 0.24 0.49 -0.51 0.70 0.00 0.00 175.22 176.18 1qjs s LEU 303 N -1.82 4.31 -0.39 -0.37 1.43 0.10 -1.77 118.68 120.18 1qjs s LEU 303 Ca 0.10 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1qjs s LEU 303 Cb -0.10 -3.23 0.51 0.00 0.03 0.00 0.00 46.19 43.40 1qjs s LEU 303 CO 0.04 0.10 1.59 0.35 0.23 0.00 0.00 176.35 178.66 1qjs n THR 304 N 0.67 2.86 0.00 5.49 -2.24 -1.16 -2.16 114.28 117.74 1qjs n THR 304 Ca -0.05 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.77 1qjs n THR 304 Cb 0.52 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1qjs n THR 304 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qjs n LYS 305 N -1.01 0.00 -3.60 -0.78 4.01 -1.26 -4.53 118.16 110.98 1qjs n LYS 305 Ca 0.45 0.27 -0.27 0.00 -0.51 0.00 0.00 58.31 58.25 1qjs n LYS 305 Cb 1.05 -1.15 -0.10 0.00 -0.51 0.00 0.00 35.03 34.32 1qjs n LYS 305 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1qjs n GLY 306 N -0.01 3.45 2.67 0.72 0.00 -1.26 -3.84 105.19 106.92 1qjs n GLY 306 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1qjs n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qjs n GLY 307 N 2.00 -1.79 3.44 -0.02 0.00 0.10 -4.88 105.19 104.04 1qjs n GLY 307 Ca 0.25 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1qjs n GLY 307 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjs s TYR 308 N 0.00 2.92 -0.07 1.61 2.02 -1.26 -4.14 117.35 118.43 1qjs s TYR 308 Ca 0.00 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1qjs s TYR 308 Cb 0.00 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1qjs s TYR 308 CO 0.00 -0.10 -0.19 0.99 -1.57 0.00 0.00 175.55 174.68 1qjs s THR 309 N 0.29 1.60 0.15 -0.71 2.01 -0.92 -4.64 115.64 113.43 1qjs s THR 309 Ca -0.07 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1qjs s THR 309 Cb -0.15 -1.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 1qjs s THR 309 CO 0.04 0.46 1.43 -0.22 -0.69 0.00 0.00 174.62 175.64 1qjs s LEU 310 N 0.32 4.38 0.58 4.42 2.96 -1.26 -0.72 118.68 129.36 1qjs s LEU 310 Ca -0.12 2.45 -0.17 0.00 -0.22 0.00 0.00 54.13 56.06 1qjs s LEU 310 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1qjs s LEU 310 CO 0.05 -0.69 1.08 -0.69 -1.32 0.00 0.00 176.35 174.79 1qjs s VAL 311 N 0.89 3.50 -0.14 1.68 1.01 0.55 -4.89 120.40 123.00 1qjs s VAL 311 Ca 0.65 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 1qjs s VAL 311 Cb -0.39 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1qjs s VAL 311 CO 0.33 -0.34 1.05 0.21 0.00 0.00 0.00 175.10 176.34 1qjs s ASN 312 N -2.37 7.17 0.00 3.32 2.47 -1.26 -3.09 114.94 121.18 1qjs s ASN 312 Ca 0.67 1.52 0.00 0.00 0.42 0.00 0.00 52.86 55.47 1qjs s ASN 312 Cb -0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 1qjs s ASN 312 CO 0.33 -0.54 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 1qjs n GLY 313 N 3.21 1.23 3.92 1.21 0.00 -1.26 -5.13 105.19 108.37 1qjs n GLY 313 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1qjs n GLY 313 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qjs s TYR 314 N -1.40 3.48 0.44 1.61 1.51 -1.18 -4.31 117.35 117.50 1qjs s TYR 314 Ca 0.00 0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 56.23 1qjs s TYR 314 Cb 0.00 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 1qjs s TYR 314 CO 0.00 0.37 1.02 -1.25 -1.11 0.00 0.00 175.55 174.58 1qjs s PRO 315 N -3.27 4.05 0.19 -1.71 0.04 -1.26 -4.98 135.00 128.06 1qjs s PRO 315 Ca 0.39 1.36 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1qjs s PRO 315 Cb -0.11 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1qjs s PRO 315 CO 0.29 -0.22 -0.13 0.15 0.04 0.00 0.00 177.00 177.13 1qjs s LYS 316 N -2.93 1.94 0.38 4.56 1.02 -0.68 -4.88 119.74 119.14 1qjs s LYS 316 Ca 0.62 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.99 1qjs s LYS 316 Cb -0.17 -2.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1qjs s LYS 316 CO 0.21 0.42 1.24 1.03 -0.92 0.00 0.00 175.35 177.33 1qjs s ARG 317 N -2.87 4.15 0.10 1.68 1.81 -1.26 -0.28 118.95 122.28 1qjs s ARG 317 Ca 0.25 2.03 -0.22 0.00 -1.72 0.00 0.00 55.73 56.06 1qjs s ARG 317 Cb -0.08 -2.84 -0.12 0.00 -0.45 0.00 0.00 34.95 31.46 1qjs s ARG 317 CO 0.14 -0.30 1.73 1.25 -0.68 0.00 0.00 175.30 177.45 1qjs h LEU 318 N 2.93 -0.04 -0.83 2.53 5.85 -0.61 0.17 115.31 125.29 1qjs h LEU 318 Ca -0.49 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.40 1qjs h LEU 318 Cb 1.23 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.14 1qjs h LEU 318 CO 0.64 -0.02 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.37 1qjs h GLU 319 N 0.00 -0.03 0.00 1.25 4.57 -1.82 0.50 114.58 119.05 1qjs h GLU 319 Ca 0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1qjs h GLU 319 Cb 0.04 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1qjs h GLU 319 CO -0.05 -0.02 -0.01 -0.22 -1.18 0.00 0.00 179.01 177.53 1qjs h LYS 320 N -0.03 0.00 0.00 1.92 3.64 -1.70 -2.02 116.57 118.38 1qjs h LYS 320 Ca 0.37 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.56 1qjs h LYS 320 Cb 0.61 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1qjs h LYS 320 CO -0.86 0.01 -1.50 -1.91 -2.27 0.00 0.00 179.45 172.92 1qjs n GLU 321 N -3.10 0.41 0.00 1.90 4.07 0.84 -4.65 120.64 120.11 1qjs n GLU 321 Ca 0.02 0.17 0.09 0.00 -0.06 0.00 0.00 57.16 57.39 1qjs n GLU 321 Cb 0.39 -1.20 0.05 0.00 -0.06 0.00 0.00 31.44 30.62 1qjs n GLU 321 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1qjs n LEU 322 N -4.04 2.28 0.00 4.31 4.77 0.14 -3.04 117.00 121.42 1qjs n LEU 322 Ca -0.27 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1qjs n LEU 322 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1qjs n LEU 322 CO 0.08 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1qjs n GLY 323 N 1.16 -1.80 3.10 -0.72 0.00 -0.76 -4.54 105.19 101.63 1qjs n GLY 323 Ca 0.10 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1qjs n GLY 323 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qjs s SER 324 N -4.00 -0.20 0.49 1.61 0.15 -1.26 -3.95 113.70 106.53 1qjs s SER 324 Ca 0.00 0.37 -0.23 0.00 0.70 0.00 0.00 55.95 56.78 1qjs s SER 324 Cb 0.00 0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1qjs s SER 324 CO 0.00 -0.11 1.32 -2.16 1.20 0.00 0.00 173.24 173.49 1qjs s PRO 325 N -0.06 3.52 0.00 5.44 0.04 -1.26 -4.68 135.00 137.99 1qjs s PRO 325 Ca -0.02 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1qjs s PRO 325 Cb -0.02 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1qjs s PRO 325 CO 0.01 -0.86 0.25 -0.35 0.04 0.00 0.00 177.00 176.08 1qjs n PRO 326 N -0.55 0.33 0.00 0.56 -0.04 -1.26 -3.72 135.00 130.31 1qjs n PRO 326 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1qjs n PRO 326 Cb 0.45 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1qjs n PRO 326 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1qjs n VAL 327 N 0.59 0.00 -3.95 0.52 0.24 -1.26 -5.12 118.33 109.35 1qjs n VAL 327 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1qjs n VAL 327 Cb 0.12 -0.19 -0.02 0.00 -1.47 0.00 0.00 33.84 32.28 1qjs n VAL 327 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1qjs s ILE 328 N -1.61 4.91 -0.36 1.34 1.09 -1.24 -5.08 121.20 120.26 1qjs s ILE 328 Ca 0.00 -1.10 -0.02 0.00 -1.10 0.00 0.00 60.65 58.43 1qjs s ILE 328 Cb 0.00 -3.69 0.08 0.00 -1.06 0.00 0.00 42.46 37.79 1qjs s ILE 328 CO 0.00 -0.31 0.11 -0.44 -0.10 0.00 0.00 174.94 174.19 1qjs s SER 329 N -3.97 5.08 0.14 3.58 0.01 -1.26 -4.37 113.70 112.91 1qjs s SER 329 Ca 0.35 -1.69 -0.30 0.00 1.31 0.00 0.00 55.95 55.62 1qjs s SER 329 Cb -0.09 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.30 1qjs s SER 329 CO 0.28 -0.41 1.22 -0.76 0.41 0.00 0.00 173.24 173.99 1qjs s LEU 330 N 1.18 4.41 -0.01 2.44 1.43 -1.26 -4.94 118.68 121.94 1qjs s LEU 330 Ca 0.03 2.18 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 1qjs s LEU 330 Cb -0.21 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 1qjs s LEU 330 CO -0.03 -0.44 0.15 -0.62 0.23 0.00 0.00 176.35 175.65 1qjs n GLU 331 N 3.13 0.74 -3.53 1.70 -0.58 -1.26 -4.98 120.64 115.86 1qjs n GLU 331 Ca 0.07 -0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.66 1qjs n GLU 331 Cb 0.45 -1.11 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1qjs n GLU 331 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qjs s ALA 332 N -2.35 -1.61 0.19 0.62 0.00 -1.25 -4.14 121.76 113.23 1qjs s ALA 332 Ca -0.02 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.53 1qjs s ALA 332 Cb 0.04 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1qjs s ALA 332 CO 0.27 -0.81 -0.17 0.08 0.00 0.00 0.00 175.76 175.13 1qjs s VAL 333 N -3.57 1.90 -0.21 0.00 1.01 -1.26 -4.92 120.40 113.35 1qjs s VAL 333 Ca 0.04 -2.09 -0.03 0.00 0.00 0.00 0.00 61.98 59.91 1qjs s VAL 333 Cb -0.02 -1.98 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 1qjs s VAL 333 CO -0.08 -0.41 -0.22 0.47 0.00 0.00 0.00 175.10 174.86 1qjs n ASP 334 N -0.05 2.08 -3.80 3.32 8.00 -0.15 -4.69 116.55 121.26 1qjs n ASP 334 Ca -0.10 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 1qjs n ASP 334 Cb 0.58 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1qjs n ASP 334 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qjs s ALA 335 N -2.41 -0.02 -0.22 2.24 0.00 -1.19 -4.08 121.76 116.08 1qjs s ALA 335 Ca -0.29 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 1qjs s ALA 335 Cb 0.09 1.07 0.13 0.00 0.00 0.00 0.00 23.12 24.41 1qjs s ALA 335 CO 0.44 -0.84 1.02 0.00 0.00 0.00 0.00 175.76 176.38 1qjs s ALA 336 N -3.73 -1.96 0.07 0.00 0.00 -1.26 -1.94 121.76 112.94 1qjs s ALA 336 Ca 0.24 1.71 -0.23 0.00 0.00 0.00 0.00 51.96 53.69 1qjs s ALA 336 Cb -0.01 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 22.12 1qjs s ALA 336 CO 0.11 -0.27 0.55 -0.59 0.00 0.00 0.00 175.76 175.56 1qjs s PHE 337 N -0.49 -0.46 -0.13 0.00 -0.12 -0.53 -4.46 117.98 111.79 1qjs s PHE 337 Ca 0.01 0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 57.30 1qjs s PHE 337 Cb -0.03 0.39 0.06 0.00 -0.63 0.00 0.00 43.02 42.82 1qjs s PHE 337 CO -0.02 -0.69 0.17 0.08 -0.05 0.00 0.00 175.22 174.70 1qjs s VAL 338 N -2.74 -0.26 0.57 -2.49 1.01 -1.26 -1.28 120.40 113.96 1qjs s VAL 338 Ca -0.04 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 1qjs s VAL 338 Cb -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1qjs s VAL 338 CO -0.04 -0.01 1.07 0.00 0.00 0.00 0.00 175.10 176.12 1qjs n PRO 340 N -1.78 0.46 -0.61 0.00 -0.02 -1.26 -1.34 135.00 130.45 1qjs n PRO 340 Ca 0.09 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1qjs n PRO 340 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1qjs n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qjs n GLY 341 N 1.84 0.72 3.95 -1.23 0.00 -1.26 -4.99 105.19 104.22 1qjs n GLY 341 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1qjs n GLY 341 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qjs s SER 342 N -2.62 6.33 0.00 1.61 0.15 -0.45 -5.00 113.70 113.72 1qjs s SER 342 Ca 0.00 0.22 0.16 0.00 0.70 0.00 0.00 55.95 57.02 1qjs s SER 342 Cb 0.00 -1.93 -0.03 0.00 -1.71 0.00 0.00 66.02 62.35 1qjs s SER 342 CO 0.00 -0.08 0.80 -1.54 1.20 0.00 0.00 173.24 173.62 1qjs n SER 343 N -1.18 1.44 -4.60 5.45 3.41 -1.26 -4.78 113.62 112.11 1qjs n SER 343 Ca -0.07 -1.22 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 1qjs n SER 343 Cb 0.56 0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 65.05 1qjs n SER 343 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qjs s ARG 344 N -1.96 3.68 -0.09 4.33 0.52 -1.26 -1.32 118.95 122.86 1qjs s ARG 344 Ca 0.12 0.50 -0.27 0.00 -0.52 0.00 0.00 55.73 55.56 1qjs s ARG 344 Cb 0.12 -3.93 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1qjs s ARG 344 CO 0.43 -1.44 0.86 -1.17 0.02 0.00 0.00 175.30 174.00 1qjs s LEU 345 N 4.55 4.27 -0.22 2.53 2.96 0.14 -4.57 118.68 128.34 1qjs s LEU 345 Ca 0.47 1.36 -0.05 0.00 -0.22 0.00 0.00 54.13 55.69 1qjs s LEU 345 Cb -0.07 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 43.27 1qjs s LEU 345 CO 0.31 -0.30 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.04 1qjs s HIS 346 N 1.47 3.01 0.01 5.38 3.76 -0.40 -1.54 115.29 126.98 1qjs s HIS 346 Ca 0.43 -0.69 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 1qjs s HIS 346 Cb -0.18 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1qjs s HIS 346 CO 0.19 -0.43 -0.25 -1.50 -0.85 0.00 0.00 174.74 171.90 1qjs s ILE 347 N 1.40 2.02 0.12 0.60 2.07 -0.83 -1.45 121.20 125.13 1qjs s ILE 347 Ca 0.05 -1.20 0.09 0.00 -1.41 0.00 0.00 60.65 58.18 1qjs s ILE 347 Cb -0.15 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 40.71 1qjs s ILE 347 CO -0.00 0.47 -0.21 -0.04 -1.91 0.00 0.00 174.94 173.24 1qjs s MET 348 N -0.86 1.22 -0.22 3.50 -1.94 -0.82 -1.84 119.30 118.33 1qjs s MET 348 Ca 0.10 -1.26 -0.06 0.00 -1.71 0.00 0.00 55.69 52.76 1qjs s MET 348 Cb -0.10 -1.47 0.11 0.00 2.01 0.00 0.00 34.83 35.37 1qjs s MET 348 CO 0.00 0.33 0.45 0.00 -0.01 0.00 0.00 175.02 175.80 1qjs s ALA 349 N -1.36 -1.31 0.00 3.03 0.00 -0.72 -0.98 121.76 120.42 1qjs s ALA 349 Ca 0.10 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1qjs s ALA 349 Cb -0.09 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1qjs s ALA 349 CO 0.05 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1qjs n GLY 350 N 5.40 2.27 1.27 0.00 0.00 -1.26 -1.76 105.19 111.11 1qjs n GLY 350 Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.45 1qjs n GLY 350 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qjs n ARG 351 N 13.42 2.92 -5.01 1.61 1.85 -1.00 -4.25 116.66 126.20 1qjs n ARG 351 Ca 0.00 -1.65 -0.32 0.00 -1.00 0.00 0.00 57.85 54.89 1qjs n ARG 351 Cb 0.00 -1.88 -0.14 0.00 -1.05 0.00 0.00 32.46 29.39 1qjs n ARG 351 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1qjs s ARG 352 N -1.91 2.22 -0.03 2.89 1.81 -0.72 -4.88 118.95 118.34 1qjs s ARG 352 Ca 0.29 -0.87 0.07 0.00 -1.72 0.00 0.00 55.73 53.50 1qjs s ARG 352 Cb 0.22 -2.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.52 1qjs s ARG 352 CO 0.08 0.58 -0.25 -1.17 -0.68 0.00 0.00 175.30 173.86 1qjs s LEU 353 N -0.85 2.05 0.14 2.53 2.96 -1.26 -1.75 118.68 122.49 1qjs s LEU 353 Ca 0.12 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1qjs s LEU 353 Cb -0.10 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1qjs s LEU 353 CO 0.01 0.28 -0.04 0.26 -1.32 0.00 0.00 176.35 175.55 1qjs s TRP 354 N -0.45 1.11 -0.02 5.38 0.51 -0.77 -1.63 118.94 123.08 1qjs s TRP 354 Ca 0.06 -0.95 0.00 0.00 -2.12 0.00 0.00 56.10 53.09 1qjs s TRP 354 Cb -0.11 -0.62 0.02 0.00 -0.81 0.00 0.00 33.47 31.95 1qjs s TRP 354 CO 0.00 -0.15 0.01 1.67 -0.51 0.00 0.00 176.95 177.98 1qjs s TRP 355 N -3.60 0.09 0.10 -1.98 1.48 -0.74 -1.97 118.94 112.32 1qjs s TRP 355 Ca 0.19 0.07 -0.00 0.00 -1.06 0.00 0.00 56.10 55.29 1qjs s TRP 355 Cb 0.05 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 32.11 1qjs s TRP 355 CO 0.00 -0.07 0.00 -0.48 -4.06 0.00 0.00 176.95 172.35 1qjs s LEU 356 N 0.77 2.17 -0.15 -4.66 0.05 -0.59 -1.57 118.68 114.71 1qjs s LEU 356 Ca -0.07 -1.10 -0.09 0.00 0.05 0.00 0.00 54.13 52.92 1qjs s LEU 356 Cb -0.10 0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 44.18 1qjs s LEU 356 CO -0.02 -0.63 0.15 -0.62 -0.55 0.00 0.00 176.35 174.68 1qjs s ASP 357 N -3.01 6.33 0.24 1.48 -1.08 -1.26 0.23 116.67 119.60 1qjs s ASP 357 Ca 0.16 0.39 0.26 0.00 -0.52 0.00 0.00 52.55 52.83 1qjs s ASP 357 Cb 0.07 -2.09 0.80 0.00 -1.46 0.00 0.00 42.92 40.24 1qjs s ASP 357 CO -0.03 0.30 1.76 -0.07 0.52 0.00 0.00 175.17 177.64 1qjs h LEU 358 N 5.75 0.00 -0.36 -1.34 3.38 -1.57 -3.20 115.31 117.96 1qjs h LEU 358 Ca -0.48 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 1qjs h LEU 358 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1qjs h LEU 358 CO 0.66 0.00 -0.40 0.11 0.09 0.00 0.00 178.44 178.90 1qjs h LYS 359 N 0.00 0.00 0.00 1.13 1.57 -1.94 -2.92 116.57 114.41 1qjs h LYS 359 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qjs h LYS 359 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1qjs h LYS 359 CO 0.00 0.40 0.00 0.43 -0.57 0.00 0.00 179.45 179.71 1qjs n SER 360 N -3.30 0.21 0.00 0.86 7.64 -1.21 -4.98 113.62 112.85 1qjs n SER 360 Ca 0.01 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1qjs n SER 360 Cb 0.63 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1qjs n SER 360 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qjs n GLY 361 N 1.06 3.12 0.00 0.23 0.00 -1.10 -1.35 105.19 107.15 1qjs n GLY 361 Ca 0.06 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1qjs n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjs n ALA 362 N 9.75 2.26 -0.52 4.61 0.00 -1.17 -2.27 120.51 133.17 1qjs n ALA 362 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1qjs n ALA 362 Cb 0.00 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.34 1qjs n ALA 362 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qjs n GLN 363 N -1.15 3.48 -2.52 0.00 3.00 -0.46 -4.45 117.38 115.28 1qjs n GLN 363 Ca 0.14 -2.39 -0.36 0.00 -0.01 0.00 0.00 57.00 54.38 1qjs n GLN 363 Cb 0.13 -2.04 -0.04 0.00 0.00 0.00 0.00 30.24 28.29 1qjs n GLN 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qjs s ALA 364 N -2.40 3.02 -0.34 -1.58 0.00 -0.96 -4.95 121.76 114.55 1qjs s ALA 364 Ca 0.42 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1qjs s ALA 364 Cb 0.33 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1qjs s ALA 364 CO 0.11 -0.28 0.10 0.99 0.00 0.00 0.00 175.76 176.69 1qjs s THR 365 N -1.73 3.51 -0.15 0.00 2.01 -1.26 -4.69 115.64 113.34 1qjs s THR 365 Ca 0.61 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1qjs s THR 365 Cb -0.21 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1qjs s THR 365 CO 0.26 -0.26 1.30 0.26 -0.69 0.00 0.00 174.62 175.49 1qjs s TRP 366 N 1.32 2.77 -0.22 4.92 0.52 -1.26 -4.55 118.94 122.44 1qjs s TRP 366 Ca -0.01 0.93 -0.10 0.00 0.02 0.00 0.00 56.10 56.94 1qjs s TRP 366 Cb -0.20 -3.55 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 1qjs s TRP 366 CO 0.01 -1.92 0.14 0.99 0.02 0.00 0.00 176.95 176.19 1qjs s THR 367 N 3.51 5.36 0.19 2.01 2.01 -0.61 -4.73 115.64 123.39 1qjs s THR 367 Ca 0.57 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 1qjs s THR 367 Cb -0.23 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1qjs s THR 367 CO 0.16 0.39 0.91 -0.70 -0.69 0.00 0.00 174.62 174.70 1qjs s GLU 368 N 0.70 4.76 0.15 4.92 2.12 -1.26 -1.79 118.70 128.29 1qjs s GLU 368 Ca 0.08 1.40 0.07 0.00 0.36 0.00 0.00 54.97 56.88 1qjs s GLU 368 Cb -0.12 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1qjs s GLU 368 CO 0.01 0.45 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.51 1qjs s LEU 369 N -0.87 2.43 0.48 2.70 1.43 -0.64 -4.98 118.68 119.23 1qjs s LEU 369 Ca 0.41 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 1qjs s LEU 369 Cb -0.25 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1qjs s LEU 369 CO 0.30 -0.09 0.84 -2.16 0.23 0.00 0.00 176.35 175.47 1qjs s PRO 370 N -2.80 3.67 -0.18 1.29 0.04 -1.26 -4.32 135.00 131.45 1qjs s PRO 370 Ca 0.13 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 1qjs s PRO 370 Cb -0.05 -2.31 0.13 0.00 0.04 0.00 0.00 34.50 32.31 1qjs s PRO 370 CO 0.05 -0.21 1.02 1.67 0.04 0.00 0.00 177.00 179.57 1qjs s TRP 371 N -2.67 -0.36 -2.05 0.56 1.48 -1.26 -3.99 118.94 110.65 1qjs s TRP 371 Ca 0.51 0.63 0.12 0.00 -1.06 0.00 0.00 56.10 56.30 1qjs s TRP 371 Cb -0.10 0.45 0.54 0.00 -1.16 0.00 0.00 33.47 33.20 1qjs s TRP 371 CO 0.40 -0.31 1.37 -0.35 -4.06 0.00 0.00 176.95 174.00 1qjs n PRO 372 N 0.82 1.28 -3.61 3.25 -0.04 -1.26 -4.91 135.00 130.53 1qjs n PRO 372 Ca -0.10 -0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 62.66 1qjs n PRO 372 Cb 0.58 -1.21 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1qjs n PRO 372 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1qjs s HIS 373 N -1.88 3.48 -0.05 0.54 3.76 -1.26 -4.82 115.29 115.07 1qjs s HIS 373 Ca 0.19 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.56 1qjs s HIS 373 Cb 0.09 -1.90 -0.09 0.00 1.11 0.00 0.00 32.58 31.80 1qjs s HIS 373 CO 0.14 0.33 0.07 0.39 -0.85 0.00 0.00 174.74 174.82 1qjs n GLU 374 N -0.79 2.01 -3.69 1.40 1.02 -1.26 -4.83 120.64 114.50 1qjs n GLU 374 Ca -0.04 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 1qjs n GLU 374 Cb 0.54 -1.17 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 1qjs n GLU 374 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1qjs s LYS 375 N -2.27 0.54 0.02 3.49 2.47 -1.26 -2.38 119.74 120.34 1qjs s LYS 375 Ca -0.03 0.81 0.02 0.00 -1.56 0.00 0.00 55.97 55.21 1qjs s LYS 375 Cb 0.03 0.15 -0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1qjs s LYS 375 CO 0.28 -0.11 -0.06 0.54 0.16 0.00 0.00 175.35 176.15 1qjs s VAL 376 N 0.89 0.40 -0.09 4.02 0.11 -1.26 -4.88 120.40 119.59 1qjs s VAL 376 Ca -0.05 -0.68 0.22 0.00 -2.93 0.00 0.00 61.98 58.54 1qjs s VAL 376 Cb -0.06 -0.43 -0.24 0.00 -1.53 0.00 0.00 36.38 34.13 1qjs s VAL 376 CO -0.07 -0.20 0.65 0.47 -3.33 0.00 0.00 175.10 172.62 1qjs n ASP 377 N 2.11 0.26 -3.69 3.54 8.00 0.20 -4.71 116.55 122.25 1qjs n ASP 377 Ca -0.19 0.10 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 1qjs n ASP 377 Cb 0.56 1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 43.18 1qjs n ASP 377 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qjs s GLY 378 N -4.48 -0.29 -0.02 0.44 0.00 -1.18 -3.98 107.32 97.82 1qjs s GLY 378 Ca -0.06 0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.81 1qjs s GLY 378 CO 0.87 0.16 0.37 0.00 0.00 0.00 0.00 173.10 174.50 1qjs s ALA 379 N -2.91 -0.95 -0.05 3.20 0.00 -1.26 -1.88 121.76 117.91 1qjs s ALA 379 Ca 0.13 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1qjs s ALA 379 Cb 0.01 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1qjs s ALA 379 CO 0.00 -0.28 0.13 -1.17 0.00 0.00 0.00 175.76 174.44 1qjs s LEU 380 N -1.31 1.17 -0.16 0.00 2.96 0.09 -4.43 118.68 117.00 1qjs s LEU 380 Ca -0.13 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1qjs s LEU 380 Cb -0.04 0.38 0.05 0.00 0.50 0.00 0.00 46.19 47.08 1qjs s LEU 380 CO 0.05 -0.09 0.02 0.00 -1.32 0.00 0.00 176.35 175.01 1qjs s MET 382 N 1.87 1.18 0.02 0.00 0.23 -1.00 -4.41 119.30 117.20 1qjs s MET 382 Ca 0.01 -0.82 -0.17 0.00 -1.03 0.00 0.00 55.69 53.67 1qjs s MET 382 Cb -0.16 0.48 -0.29 0.00 -1.53 0.00 0.00 34.83 33.33 1qjs s MET 382 CO -0.07 -0.47 1.05 0.93 -2.03 0.00 0.00 175.02 174.42 1qjs h GLU 383 N 2.33 0.51 -7.33 3.16 5.08 -1.92 -0.33 114.58 116.07 1qjs h GLU 383 Ca -0.32 -0.71 -0.51 0.00 -1.00 0.00 0.00 59.36 56.83 1qjs h GLU 383 Cb 1.25 0.24 0.07 0.00 0.50 0.00 0.00 28.75 30.81 1qjs h GLU 383 CO 0.44 1.31 0.40 -1.59 -1.00 0.00 0.00 179.01 178.57 1qjs s LYS 384 N -2.87 3.41 0.92 2.33 -2.85 -1.26 -4.51 119.74 114.91 1qjs s LYS 384 Ca -0.11 0.85 -0.11 0.00 -1.00 0.00 0.00 55.97 55.59 1qjs s LYS 384 Cb 0.04 -2.05 0.15 0.00 -2.06 0.00 0.00 37.83 33.90 1qjs s LYS 384 CO 0.89 -0.72 1.09 -1.25 0.10 0.00 0.00 175.35 175.47 1qjs s PRO 385 N -5.01 1.01 -0.23 1.78 0.04 -1.26 -4.82 135.00 126.50 1qjs s PRO 385 Ca 0.57 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1qjs s PRO 385 Cb -0.12 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.68 1qjs s PRO 385 CO 0.52 -2.48 -0.09 -1.17 0.04 0.00 0.00 177.00 173.82 1qjs s LEU 386 N -6.43 2.91 0.00 -3.56 2.96 -1.26 -4.94 118.68 108.37 1qjs s LEU 386 Ca 0.65 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1qjs s LEU 386 Cb -0.20 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1qjs s LEU 386 CO 0.58 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 176.14 1qjs n GLY 387 N 4.66 -1.74 0.35 7.98 0.00 -1.26 -4.39 105.19 110.79 1qjs n GLY 387 Ca -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 1qjs n GLY 387 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qjs h PRO 388 N 0.00 1.17 -6.27 1.61 0.13 -1.95 -3.46 132.00 123.24 1qjs h PRO 388 Ca 0.00 -0.18 -0.58 0.00 -0.87 0.00 0.00 66.00 64.37 1qjs h PRO 388 Cb 0.00 -0.21 -0.09 0.00 0.13 0.00 0.00 31.00 30.83 1qjs h PRO 388 CO 0.00 0.91 -0.62 -0.80 -0.23 0.00 0.00 178.00 177.27 1qjs s ASN 389 N -6.34 5.03 -0.03 1.44 0.01 -1.26 -5.00 114.94 108.79 1qjs s ASN 389 Ca -0.12 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1qjs s ASN 389 Cb 0.16 -1.15 0.02 0.00 0.41 0.00 0.00 41.25 40.69 1qjs s ASN 389 CO 0.83 0.06 -0.05 -0.94 -1.51 0.00 0.00 177.10 175.49 1qjs s SER 390 N -3.19 0.86 0.00 -1.22 1.04 -1.26 -4.05 113.70 105.87 1qjs s SER 390 Ca 0.29 -0.12 0.25 0.00 0.48 0.00 0.00 55.95 56.86 1qjs s SER 390 Cb -0.09 -0.34 1.27 0.00 0.10 0.00 0.00 66.02 66.96 1qjs s SER 390 CO 0.21 -0.02 1.85 0.00 0.98 0.00 0.00 173.24 176.25 1qjs s SER 392 N -1.79 2.82 -0.21 0.00 1.04 -1.26 -4.59 113.70 109.70 1qjs s SER 392 Ca 0.37 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.96 1qjs s SER 392 Cb 0.18 -0.18 -0.09 0.00 0.10 0.00 0.00 66.02 66.03 1qjs s SER 392 CO 0.30 0.12 -0.24 0.35 0.98 0.00 0.00 173.24 174.74 1qjs n THR 393 N 1.13 1.50 -3.01 2.02 -2.24 -1.26 -4.69 114.28 107.73 1qjs n THR 393 Ca -0.19 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1qjs n THR 393 Cb 0.53 -2.16 -0.04 0.00 -2.10 0.00 0.00 70.33 66.56 1qjs n THR 393 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qjs n SER 394 N -4.42 4.90 0.00 3.42 3.41 -1.26 -4.98 113.62 114.69 1qjs n SER 394 Ca -0.29 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 54.71 1qjs n SER 394 Cb 0.62 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1qjs n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qjs n GLY 395 N 0.15 1.13 3.78 5.00 0.00 -1.26 -5.16 105.19 108.82 1qjs n GLY 395 Ca 0.33 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1qjs n GLY 395 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qjs s PRO 396 N -2.00 3.55 0.43 1.61 0.04 -1.26 -4.73 135.00 132.64 1qjs s PRO 396 Ca 0.00 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 1qjs s PRO 396 Cb 0.00 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1qjs s PRO 396 CO 0.00 -0.68 0.93 -0.80 0.04 0.00 0.00 177.00 176.48 1qjs s ASN 397 N -1.71 6.87 -0.21 6.66 0.02 -0.14 -4.50 114.94 121.93 1qjs s ASN 397 Ca 0.69 1.62 -0.02 0.00 -1.02 0.00 0.00 52.86 54.13 1qjs s ASN 397 Cb -0.24 -2.51 0.06 0.00 0.02 0.00 0.00 41.25 38.58 1qjs s ASN 397 CO 0.27 -0.38 0.01 -0.22 0.02 0.00 0.00 177.10 176.81 1qjs s LEU 398 N -3.29 1.66 0.08 0.60 2.96 -0.74 -2.37 118.68 117.56 1qjs s LEU 398 Ca 0.61 -0.98 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1qjs s LEU 398 Cb -0.09 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1qjs s LEU 398 CO 0.16 -0.29 0.07 -0.31 -1.32 0.00 0.00 176.35 174.66 1qjs s TYR 399 N 1.71 3.16 -0.01 5.38 2.02 0.32 -0.42 117.35 129.51 1qjs s TYR 399 Ca -0.02 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1qjs s TYR 399 Cb -0.18 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1qjs s TYR 399 CO -0.09 0.52 0.01 -0.51 -1.57 0.00 0.00 175.55 173.91 1qjs s LEU 400 N -2.34 1.67 0.22 -1.29 1.43 -0.73 -0.73 118.68 116.90 1qjs s LEU 400 Ca 0.28 0.01 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1qjs s LEU 400 Cb -0.12 -0.05 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 1qjs s LEU 400 CO 0.21 -0.04 -0.19 0.27 0.23 0.00 0.00 176.35 176.82 1qjs s ILE 401 N 0.39 2.14 -0.29 -0.59 -4.36 -0.79 -0.14 121.20 117.56 1qjs s ILE 401 Ca -0.03 -2.16 -0.00 0.00 -0.26 0.00 0.00 60.65 58.20 1qjs s ILE 401 Cb -0.05 -2.09 0.18 0.00 1.25 0.00 0.00 42.46 41.75 1qjs s ILE 401 CO -0.01 -0.35 0.54 -2.28 0.24 0.00 0.00 174.94 173.08 1qjs s HIS 402 N -2.28 -1.44 0.00 1.37 2.46 -0.75 0.58 115.29 115.24 1qjs s HIS 402 Ca 0.23 1.36 0.00 0.00 0.47 0.00 0.00 55.06 57.12 1qjs s HIS 402 Cb -0.05 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.77 1qjs s HIS 402 CO 0.10 -0.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 1qjs n GLY 403 N 5.41 2.92 0.65 1.59 0.00 -1.26 -1.44 105.19 113.05 1qjs n GLY 403 Ca -0.01 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1qjs n GLY 403 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qjs n PRO 404 N 7.89 1.81 -3.97 1.61 -0.04 -1.26 -4.60 135.00 136.43 1qjs n PRO 404 Ca 0.00 -1.30 -0.31 0.00 -0.04 0.00 0.00 63.50 61.85 1qjs n PRO 404 Cb 0.00 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 1qjs n PRO 404 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qjs s ASN 405 N -2.09 6.04 -0.09 3.54 0.02 -0.52 -1.81 114.94 120.03 1qjs s ASN 405 Ca 0.31 0.18 0.02 0.00 -1.02 0.00 0.00 52.86 52.35 1qjs s ASN 405 Cb 0.20 -1.78 0.01 0.00 0.02 0.00 0.00 41.25 39.70 1qjs s ASN 405 CO 0.36 0.19 -0.16 -0.22 0.02 0.00 0.00 177.10 177.29 1qjs s LEU 406 N -2.36 1.76 0.12 0.60 2.96 0.06 -1.80 118.68 120.02 1qjs s LEU 406 Ca 0.31 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1qjs s LEU 406 Cb -0.13 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1qjs s LEU 406 CO 0.24 0.05 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.84 1qjs s TYR 407 N 0.74 2.56 -0.02 5.38 2.02 0.80 -1.14 117.35 127.69 1qjs s TYR 407 Ca -0.12 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 1qjs s TYR 407 Cb -0.16 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1qjs s TYR 407 CO 0.03 0.40 -0.06 0.00 -1.57 0.00 0.00 175.55 174.34 1qjs s TYR 409 N 0.30 1.62 0.21 0.00 1.51 0.44 -4.90 117.35 116.54 1qjs s TYR 409 Ca -0.04 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.62 1qjs s TYR 409 Cb -0.08 -0.98 0.18 0.00 -0.11 0.00 0.00 41.96 40.98 1qjs s TYR 409 CO 0.00 0.06 1.63 0.00 -1.11 0.00 0.00 175.55 176.13 1qjs h ARG 410 N 5.01 0.78 -1.81 -0.62 2.47 -1.86 -1.98 114.38 116.38 1qjs h ARG 410 Ca -0.40 -0.31 0.23 0.00 -1.26 0.00 0.00 59.98 58.23 1qjs h ARG 410 Cb 1.16 -0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 29.31 1qjs h ARG 410 CO 0.45 0.93 0.69 -3.38 0.56 0.00 0.00 179.97 179.21 1qjs s HIS 411 N -4.61 -0.15 0.49 3.04 -3.43 -1.26 -4.56 115.29 104.82 1qjs s HIS 411 Ca -0.09 0.01 0.33 0.00 -0.80 0.00 0.00 55.06 54.50 1qjs s HIS 411 Cb 0.13 0.56 1.45 0.00 -1.43 0.00 0.00 32.58 33.28 1qjs s HIS 411 CO 0.84 -0.42 1.74 -0.39 -2.00 0.00 0.00 174.74 174.51 1qjs h VAL 412 N 2.00 0.35 -0.18 -5.38 -1.51 -1.94 0.19 116.25 109.78 1qjs h VAL 412 Ca -0.21 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.08 1qjs h VAL 412 Cb 1.21 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 1qjs h VAL 412 CO 0.27 0.02 -0.47 0.44 -1.23 0.00 0.00 177.57 176.60 1qjs h ASP 413 N 0.11 0.49 1.35 4.19 3.32 -1.98 0.25 116.42 124.15 1qjs h ASP 413 Ca 0.65 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1qjs h ASP 413 Cb 2.30 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.71 1qjs h ASP 413 CO -0.14 0.88 0.00 0.11 -1.72 0.00 0.00 179.24 178.37 1qjs h LYS 414 N 0.37 0.00 -0.04 3.56 1.57 -1.01 -0.40 116.57 120.61 1qjs h LYS 414 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1qjs h LYS 414 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1qjs h LYS 414 CO 0.08 0.00 -0.11 1.25 -0.57 0.00 0.00 179.45 180.10 1qjs h LEU 415 N 0.00 0.16 -0.42 2.94 5.85 -0.94 -3.07 115.31 119.82 1qjs h LEU 415 Ca 0.00 -0.61 -0.11 0.00 0.84 0.00 0.00 57.88 58.00 1qjs h LEU 415 Cb 0.68 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1qjs h LEU 415 CO 0.00 0.74 -0.17 0.78 -0.34 0.00 0.00 178.44 179.46 1qjs h ASN 416 N -0.41 0.88 0.89 1.25 2.35 -0.77 -3.21 115.58 116.57 1qjs h ASN 416 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1qjs h ASN 416 Cb 0.73 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1qjs h ASN 416 CO 0.02 1.08 0.00 0.00 -1.65 0.00 0.00 177.43 176.88 1qjs n ALA 417 N -2.48 1.98 -2.00 -0.83 0.00 -0.18 -4.46 120.51 112.54 1qjs n ALA 417 Ca -0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1qjs n ALA 417 Cb 0.42 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1qjs n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qjs s ALA 418 N -3.09 3.70 -0.07 0.00 0.00 -1.16 -4.91 121.76 116.23 1qjs s ALA 418 Ca 0.09 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 53.06 1qjs s ALA 418 Cb 0.13 -3.63 -0.30 0.00 0.00 0.00 0.00 23.12 19.32 1qjs s ALA 418 CO 0.44 -0.86 0.85 0.87 0.00 0.00 0.00 175.76 177.05 1qjs h LYS 419 N 7.35 0.25 -5.25 0.00 1.57 -1.92 -3.37 116.57 115.20 1qjs h LYS 419 Ca -0.42 -0.43 -0.58 0.00 -1.87 0.00 0.00 60.65 57.34 1qjs h LYS 419 Cb 1.20 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.54 1qjs h LYS 419 CO 0.91 1.21 -0.56 -0.80 -0.57 0.00 0.00 179.45 179.64 1qjs s ASN 420 N -6.88 3.25 0.23 0.86 0.01 -1.26 -4.86 114.94 106.30 1qjs s ASN 420 Ca -0.15 -1.53 -0.26 0.00 -0.71 0.00 0.00 52.86 50.21 1qjs s ASN 420 Cb 0.01 0.18 -0.09 0.00 0.41 0.00 0.00 41.25 41.76 1qjs s ASN 420 CO 0.81 -0.73 0.85 -0.76 -1.51 0.00 0.00 177.10 175.75 1qjs s LEU 421 N -3.67 4.51 0.86 0.60 1.43 -1.26 -4.91 118.68 116.23 1qjs s LEU 421 Ca 0.24 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1qjs s LEU 421 Cb 0.05 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.79 1qjs s LEU 421 CO 0.12 0.10 1.09 -2.84 0.23 0.00 0.00 176.35 175.06 1qjs s PRO 422 N -1.51 1.56 0.01 1.29 0.02 -1.26 -4.91 135.00 130.20 1qjs s PRO 422 Ca 0.42 0.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.11 1qjs s PRO 422 Cb -0.22 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1qjs s PRO 422 CO 0.26 -2.07 1.56 -1.14 -0.33 0.00 0.00 177.00 175.27 1qjs s GLN 423 N -4.90 4.22 0.73 5.54 2.00 -1.26 -4.97 119.66 121.03 1qjs s GLN 423 Ca 0.63 2.16 -0.11 0.00 -2.00 0.00 0.00 55.36 56.03 1qjs s GLN 423 Cb -0.18 -3.69 0.03 0.00 0.80 0.00 0.00 33.01 29.97 1qjs s GLN 423 CO 0.57 -0.71 1.08 -1.25 -0.50 0.00 0.00 175.29 174.48 1qjs s PRO 424 N 2.92 2.61 0.32 1.67 0.04 -1.26 -4.89 135.00 136.41 1qjs s PRO 424 Ca 0.70 0.79 0.10 0.00 0.04 0.00 0.00 61.00 62.62 1qjs s PRO 424 Cb -0.35 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1qjs s PRO 424 CO 0.29 -1.28 -0.04 -0.65 0.04 0.00 0.00 177.00 175.36 1qjs s GLN 425 N -5.11 2.01 0.05 4.56 -1.52 -0.29 -4.91 119.66 114.45 1qjs s GLN 425 Ca 0.59 -1.73 -0.30 0.00 -1.95 0.00 0.00 55.36 51.97 1qjs s GLN 425 Cb -0.14 -1.91 -0.04 0.00 -0.22 0.00 0.00 33.01 30.70 1qjs s GLN 425 CO 0.54 0.20 1.00 1.03 -0.25 0.00 0.00 175.29 177.81 1qjs s ARG 426 N -3.66 4.60 0.41 2.91 1.81 -1.26 -0.76 118.95 122.99 1qjs s ARG 426 Ca 0.33 1.48 0.23 0.00 -1.72 0.00 0.00 55.73 56.05 1qjs s ARG 426 Cb -0.01 -3.41 0.54 0.00 -0.45 0.00 0.00 34.95 31.61 1qjs s ARG 426 CO 0.18 0.03 1.67 0.28 -0.68 0.00 0.00 175.30 176.78 1qjs h VAL 427 N 4.46 0.36 -0.20 3.52 2.07 -1.66 -2.62 116.25 122.18 1qjs h VAL 427 Ca -0.42 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 65.68 1qjs h VAL 427 Cb 1.22 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1qjs h VAL 427 CO 0.74 0.18 -0.43 0.77 0.02 0.00 0.00 177.57 178.86 1qjs h SER 428 N 0.00 0.51 -0.22 0.57 4.64 -1.92 -2.76 113.55 114.36 1qjs h SER 428 Ca -0.00 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 1qjs h SER 428 Cb 0.98 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1qjs h SER 428 CO 0.02 0.87 0.02 -0.09 -0.87 0.00 0.00 176.83 176.79 1qjs h ARG 429 N 0.39 0.10 0.00 4.77 9.65 -1.86 0.13 114.38 127.56 1qjs h ARG 429 Ca 0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1qjs h ARG 429 Cb 0.91 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1qjs h ARG 429 CO 0.08 0.07 0.00 1.47 2.80 0.00 0.00 179.97 184.38 1qjs n LEU 430 N -5.11 0.00 -0.84 3.80 -0.00 -1.05 -1.52 117.00 112.27 1qjs n LEU 430 Ca -0.02 0.23 0.07 0.00 -0.00 0.00 0.00 56.01 56.29 1qjs n LEU 430 Cb 0.11 -0.23 0.20 0.00 -0.00 0.00 0.00 43.42 43.50 1qjs n LEU 430 CO 0.27 -0.11 0.67 0.18 -0.00 0.00 0.00 177.39 178.40 1qjs n LEU 431 N -1.23 3.28 -2.40 1.47 4.77 0.32 -4.93 117.00 118.29 1qjs n LEU 431 Ca 0.09 -2.10 -0.01 0.00 -0.03 0.00 0.00 56.01 53.96 1qjs n LEU 431 Cb 0.11 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1qjs n LEU 431 CO 0.12 0.78 0.18 0.61 -1.33 0.00 0.00 177.39 177.75 1qjs n GLY 432 N 0.68 -0.88 1.45 -0.72 0.00 -0.48 -4.94 105.19 100.30 1qjs n GLY 432 Ca 0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1qjs n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjs s THR 434 N -1.49 1.28 0.00 0.00 -1.32 -1.26 -5.05 115.64 107.80 1qjs s THR 434 Ca 0.00 -2.99 0.00 0.00 -1.21 0.00 0.00 61.69 57.49 1qjs s THR 434 Cb 0.00 -1.88 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 1qjs s THR 434 CO 0.00 -1.07 0.00 1.57 -2.21 0.00 0.00 174.62 172.91