#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 -1.39 114.58 125.58 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 -0.07 2.33 -0.00 -2.01 -2.07 115.11 113.09 1qjs h GLN 26 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 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 0.00 178.83 178.12 1qjs s SER 28 N -1.90 6.27 0.57 0.00 0.15 -0.78 -5.04 113.70 112.97 1qjs s SER 28 Ca 0.35 1.32 -0.17 0.00 0.70 0.00 0.00 55.95 58.14 1qjs s SER 28 Cb 0.20 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1qjs s SER 28 CO 0.31 -0.78 1.08 -1.81 1.20 0.00 0.00 173.24 173.24 1qjs s ASP 29 N -4.07 5.76 0.00 5.45 1.11 -1.26 -3.43 116.67 120.23 1qjs s ASP 29 Ca 0.54 1.95 0.00 0.00 0.18 0.00 0.00 52.55 55.22 1qjs s ASP 29 Cb -0.11 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1qjs s ASP 29 CO 0.50 -1.19 0.00 0.61 1.18 0.00 0.00 175.17 176.28 1qjs n GLY 30 N -0.48 0.35 3.79 0.21 0.00 -1.26 -4.99 105.19 102.80 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 -1.97 2.84 -0.19 1.61 -0.11 -1.22 -4.96 118.94 114.95 1qjs s TRP 31 Ca 0.00 1.49 -0.27 0.00 1.22 0.00 0.00 56.10 58.54 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 -1.51 0.72 0.45 -4.62 0.00 0.00 176.95 172.00 1qjs s SER 32 N -3.54 -0.70 0.05 5.86 0.15 -1.26 -3.50 113.70 110.76 1qjs s SER 32 Ca 0.60 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 58.38 1qjs s SER 32 Cb -0.16 1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 65.19 1qjs s SER 32 CO 0.55 -0.38 0.20 -0.36 1.20 0.00 0.00 173.24 174.45 1qjs s PHE 33 N -0.24 3.53 -0.13 3.44 0.08 -1.26 -4.93 117.98 118.47 1qjs s PHE 33 Ca -0.04 0.27 -0.21 0.00 0.12 0.00 0.00 56.93 57.08 1qjs s PHE 33 Cb -0.03 -1.77 -0.18 0.00 -0.57 0.00 0.00 43.02 40.46 1qjs s PHE 33 CO 0.04 0.60 0.54 -0.44 -0.10 0.00 0.00 175.22 175.86 1qjs h ASP 34 N 3.22 0.00 -5.04 1.36 3.32 -0.88 -3.43 116.42 114.97 1qjs h ASP 34 Ca -0.46 -0.71 -0.13 0.00 0.02 0.00 0.00 57.03 55.76 1qjs h ASP 34 Cb 1.17 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.53 1qjs h ASP 34 CO 0.75 0.87 -0.49 0.00 -1.72 0.00 0.00 179.24 178.65 1qjs s ALA 35 N -2.32 -0.22 -0.00 3.45 0.00 -1.20 -4.36 121.76 117.12 1qjs s ALA 35 Ca -0.14 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1qjs s ALA 35 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1qjs s ALA 35 CO 0.49 -0.28 -0.09 0.95 0.00 0.00 0.00 175.76 176.83 1qjs s THR 36 N -2.13 0.73 0.23 0.00 -4.23 -1.26 -0.22 115.64 108.76 1qjs s THR 36 Ca -0.09 -0.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.75 1qjs s THR 36 Cb -0.04 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1qjs s THR 36 CO -0.02 0.16 0.94 0.28 -0.54 0.00 0.00 174.62 175.44 1qjs s THR 37 N -0.31 0.00 -0.07 3.99 -1.32 -0.60 -4.56 115.64 112.78 1qjs s THR 37 Ca 0.03 -0.73 0.03 0.00 -1.21 0.00 0.00 61.69 59.80 1qjs s THR 37 Cb -0.04 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 1qjs s THR 37 CO -0.00 0.00 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.51 1qjs s LEU 38 N -3.18 2.75 0.00 9.08 1.43 -1.26 -0.39 118.68 127.10 1qjs s LEU 38 Ca 0.17 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1qjs s LEU 38 Cb -0.03 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.65 1qjs s LEU 38 CO 0.06 0.31 0.22 -0.90 0.23 0.00 0.00 176.35 176.27 1qjs n ASP 39 N 2.53 0.23 0.10 2.29 5.68 0.27 -4.75 116.55 122.90 1qjs n ASP 39 Ca -0.17 -1.21 0.09 0.00 -0.50 0.00 0.00 54.79 53.00 1qjs n ASP 39 Cb 0.52 -0.15 0.42 0.00 -1.14 0.00 0.00 41.12 40.77 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 -3.02 0.43 -1.01 -1.12 5.75 -1.26 -1.48 116.55 114.84 1qjs n ASP 40 Ca 0.03 0.64 0.12 0.00 -0.01 0.00 0.00 54.79 55.57 1qjs n ASP 40 Cb 0.12 -0.72 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 -2.01 3.13 0.00 -1.12 5.03 -1.26 -4.94 115.26 114.10 1qjs n ASN 41 Ca 0.01 -1.99 0.00 0.00 0.87 0.00 0.00 54.58 53.47 1qjs n ASN 41 Cb 0.14 -0.08 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 1.38 1.39 3.73 7.41 0.00 -0.55 -4.85 105.19 113.71 1qjs n GLY 42 Ca 0.16 0.00 -0.42 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 -2.68 3.65 -0.31 2.61 -4.23 -1.26 -4.67 115.64 108.76 1qjs s THR 43 Ca 0.00 1.29 -0.23 0.00 -1.18 0.00 0.00 61.69 61.57 1qjs s THR 43 Cb 0.00 -3.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 1qjs s THR 43 CO 0.00 0.16 0.76 -0.32 -0.54 0.00 0.00 174.62 174.68 1qjs s MET 44 N 0.37 3.95 -0.19 3.99 1.75 -1.26 -0.56 119.30 127.35 1qjs s MET 44 Ca 0.57 0.54 -0.07 0.00 -1.25 0.00 0.00 55.69 55.48 1qjs s MET 44 Cb -0.33 -3.73 -0.04 0.00 2.84 0.00 0.00 34.83 33.58 1qjs s MET 44 CO 0.33 -0.66 0.06 -0.51 -0.65 0.00 0.00 175.02 173.59 1qjs s LEU 45 N 2.91 3.71 -0.32 4.11 1.43 0.47 0.10 118.68 131.09 1qjs s LEU 45 Ca 0.31 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1qjs s LEU 45 Cb -0.14 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1qjs s LEU 45 CO 0.12 0.14 0.08 -0.36 0.23 0.00 0.00 176.35 176.57 1qjs s PHE 46 N 0.56 3.22 0.16 0.29 0.40 0.36 -1.55 117.98 121.41 1qjs s PHE 46 Ca 0.03 -1.35 -0.12 0.00 -0.60 0.00 0.00 56.93 54.89 1qjs s PHE 46 Cb -0.13 -2.25 -0.07 0.00 0.51 0.00 0.00 43.02 41.09 1qjs s PHE 46 CO 0.01 -0.70 0.51 -0.06 0.70 0.00 0.00 175.22 175.69 1qjs s PHE 47 N 1.41 3.54 -0.30 0.36 0.08 0.69 -0.62 117.98 123.15 1qjs s PHE 47 Ca -0.01 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 57.85 1qjs s PHE 47 Cb -0.19 -2.28 0.12 0.00 -0.57 0.00 0.00 43.02 40.11 1qjs s PHE 47 CO 0.02 0.40 0.71 0.21 -0.10 0.00 0.00 175.22 176.46 1qjs s LYS 48 N -2.25 0.56 2.22 0.44 2.47 -1.00 -0.22 119.74 121.97 1qjs s LYS 48 Ca 0.40 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 56.10 1qjs s LYS 48 Cb -0.13 0.64 0.00 0.00 -1.46 0.00 0.00 37.83 36.88 1qjs s LYS 48 CO 0.20 -0.17 0.00 -0.25 0.16 0.00 0.00 175.35 175.28 1qjs n ASP 49 N 5.09 0.00 -1.43 1.43 8.00 -1.26 -0.85 116.55 127.52 1qjs n ASP 49 Ca -0.14 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.43 1qjs n ASP 49 Cb 0.52 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.91 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 -3.87 120.64 131.92 1qjs n GLU 50 Ca 0.00 -2.31 -0.28 0.00 -0.01 0.00 0.00 57.16 54.56 1qjs n GLU 50 Cb 0.00 -1.92 -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 -2.06 2.48 -0.15 -0.32 0.40 -0.03 -0.37 117.98 117.92 1qjs s PHE 51 Ca 0.41 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 1qjs s PHE 51 Cb 0.29 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 42.12 1qjs s PHE 51 CO 0.16 0.42 0.39 0.54 0.70 0.00 0.00 175.22 177.43 1qjs s VAL 52 N -2.75 -0.02 -0.18 -0.44 0.11 0.13 -2.37 120.40 114.88 1qjs s VAL 52 Ca 0.35 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.33 1qjs s VAL 52 Cb 0.10 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1qjs s VAL 52 CO 0.18 0.02 0.24 0.26 -3.33 0.00 0.00 175.10 172.46 1qjs s TRP 53 N 0.87 3.42 -0.07 1.54 0.51 0.21 -0.98 118.94 124.45 1qjs s TRP 53 Ca -0.05 0.48 -0.03 0.00 -2.12 0.00 0.00 56.10 54.37 1qjs s TRP 53 Cb -0.06 -2.29 -0.04 0.00 -0.81 0.00 0.00 33.47 30.27 1qjs s TRP 53 CO -0.07 0.22 0.07 0.15 -0.51 0.00 0.00 176.95 176.81 1qjs s LYS 54 N 0.55 3.14 0.30 4.98 1.02 -0.49 -0.49 119.74 128.75 1qjs s LYS 54 Ca 0.13 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1qjs s LYS 54 Cb -0.12 -2.92 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1qjs s LYS 54 CO 0.02 0.71 0.00 -1.13 -0.92 0.00 0.00 175.35 174.03 1qjs n SER 55 N 1.78 -7.16 0.00 2.83 3.41 0.12 -0.91 113.62 113.68 1qjs n SER 55 Ca -0.17 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.04 1qjs n SER 55 Cb 0.54 -3.81 0.26 0.00 -0.26 0.00 0.00 64.21 60.94 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 -3.67 0.00 -0.04 7.33 1.44 -1.26 -2.13 115.22 116.89 1qjs n HIS 56 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 1qjs n HIS 56 Cb 0.64 -0.46 -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 0.33 -0.47 -1.40 3.08 -1.86 -1.34 114.38 112.71 1qjs h ARG 57 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1qjs h ARG 57 Cb 0.19 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.27 1qjs h ARG 57 CO 0.00 0.83 0.00 0.41 -1.07 0.00 0.00 179.97 180.14 1qjs n GLY 58 N 0.50 0.98 3.61 0.04 0.00 -0.09 -4.82 105.19 105.42 1qjs n GLY 58 Ca -0.07 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.47 3.56 0.11 -0.61 1.01 -0.96 -4.62 121.20 117.22 1qjs s ILE 59 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 60.65 61.05 1qjs s ILE 59 Cb 0.00 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 1qjs s ILE 59 CO 0.00 -0.35 0.62 -0.60 0.00 0.00 0.00 174.94 174.61 1qjs s ARG 60 N 5.18 4.26 -0.03 2.79 3.52 -1.26 -1.40 118.95 132.00 1qjs s ARG 60 Ca 0.76 0.81 -0.21 0.00 -0.13 0.00 0.00 55.73 56.96 1qjs s ARG 60 Cb -0.24 -3.20 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1qjs s ARG 60 CO 0.32 0.60 0.45 -1.83 -0.81 0.00 0.00 175.30 174.03 1qjs s GLU 61 N -1.24 0.81 0.17 5.12 -1.05 -0.15 -4.98 118.70 117.39 1qjs s GLU 61 Ca 0.32 0.01 -0.32 0.00 -0.15 0.00 0.00 54.97 54.83 1qjs s GLU 61 Cb -0.20 0.37 -0.11 0.00 -0.44 0.00 0.00 34.13 33.76 1qjs s GLU 61 CO 0.21 -0.23 1.67 -1.17 0.95 0.00 0.00 175.26 176.68 1qjs s LEU 62 N -1.21 4.37 0.21 1.83 2.96 -1.26 0.20 118.68 125.78 1qjs s LEU 62 Ca -0.12 2.74 -0.11 0.00 -0.22 0.00 0.00 54.13 56.42 1qjs s LEU 62 Cb -0.03 -3.59 0.29 0.00 0.50 0.00 0.00 46.19 43.36 1qjs s LEU 62 CO 0.06 -0.91 1.66 0.40 -1.32 0.00 0.00 176.35 176.24 1qjs h ILE 63 N 4.03 0.50 0.00 6.68 2.04 -0.96 0.32 117.51 130.12 1qjs h ILE 63 Ca -0.43 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1qjs h ILE 63 Cb 1.20 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1qjs h ILE 63 CO 0.94 0.02 0.07 -1.54 0.00 0.00 0.00 178.15 177.64 1qjs n SER 64 N -5.28 0.00 -0.03 1.72 3.41 -1.26 -1.38 113.62 110.80 1qjs n SER 64 Ca 0.09 0.29 -0.15 0.00 -0.26 0.00 0.00 58.87 58.84 1qjs n SER 64 Cb 0.35 -0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.22 0.00 4.33 4.57 -0.72 -3.41 114.58 119.58 1qjs h GLU 65 Ca 0.00 -0.19 -0.43 0.00 -1.18 0.00 0.00 59.36 57.56 1qjs h GLU 65 Cb 0.13 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 1qjs h GLU 65 CO 0.00 0.85 -2.40 0.54 -1.18 0.00 0.00 179.01 176.82 1qjs n ARG 66 N -4.53 0.60 -3.09 1.92 1.74 -0.78 -4.84 116.66 107.67 1qjs n ARG 66 Ca -0.09 0.28 -0.45 0.00 -0.77 0.00 0.00 57.85 56.83 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 -2.50 2.98 0.47 -1.55 0.52 -0.48 -5.02 118.94 113.35 1qjs s TRP 67 Ca -0.37 -0.94 -0.24 0.00 0.02 0.00 0.00 56.10 54.57 1qjs s TRP 67 Cb 0.13 -4.04 -0.08 0.00 -1.15 0.00 0.00 33.47 28.33 1qjs s TRP 67 CO 0.52 -1.32 1.22 1.63 0.02 0.00 0.00 176.95 179.02 1qjs n LYS 68 N 6.42 1.70 -1.10 4.98 4.76 -1.26 -3.18 118.16 130.46 1qjs n LYS 68 Ca -0.09 0.61 -0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1qjs n LYS 68 Cb 0.43 -2.35 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 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 -0.09 -4.84 -4.78 4.39 5.15 -1.26 -4.90 115.26 108.93 1qjs n ASN 69 Ca 0.08 0.17 -0.36 0.00 -0.60 0.00 0.00 54.58 53.88 1qjs n ASN 69 Cb 0.41 -3.46 -0.07 0.00 -0.53 0.00 0.00 39.78 36.13 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 -1.50 3.48 0.04 1.20 5.36 -1.19 -5.01 117.98 120.36 1qjs s PHE 70 Ca 0.00 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.44 1qjs s PHE 70 Cb 0.00 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.55 1qjs s PHE 70 CO 0.00 0.43 -0.15 0.42 -1.46 0.00 0.00 175.22 174.46 1qjs s ILE 71 N -0.08 1.17 0.03 3.12 1.09 -1.26 -4.59 121.20 120.68 1qjs s ILE 71 Ca 0.11 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 1qjs s ILE 71 Cb -0.12 -1.06 0.00 0.00 -1.06 0.00 0.00 42.46 40.23 1qjs s ILE 71 CO 0.00 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.47 1qjs n GLY 72 N 1.87 -2.08 3.76 6.18 0.00 -1.26 -4.96 105.19 108.69 1qjs n GLY 72 Ca -0.18 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.21 2.82 0.31 1.61 0.04 -1.25 -4.72 135.00 131.60 1qjs s PRO 73 Ca 0.00 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1qjs s PRO 73 Cb 0.00 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1qjs s PRO 73 CO 0.00 -1.27 0.77 0.08 0.04 0.00 0.00 177.00 176.62 1qjs s VAL 74 N -2.02 4.60 -0.27 -0.36 1.01 -1.26 -4.82 120.40 117.28 1qjs s VAL 74 Ca 0.71 1.12 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 1qjs s VAL 74 Cb -0.25 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 1qjs s VAL 74 CO 0.38 -0.10 -0.30 0.47 0.00 0.00 0.00 175.10 175.54 1qjs n ASP 75 N -0.12 1.95 -3.73 3.32 9.92 0.99 -4.51 116.55 124.38 1qjs n ASP 75 Ca 0.03 0.31 -0.10 0.00 -0.53 0.00 0.00 54.79 54.50 1qjs n ASP 75 Cb 0.53 -0.80 -0.05 0.00 -0.64 0.00 0.00 41.12 40.15 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 -2.50 -0.66 -0.03 2.24 0.00 -0.91 -4.12 121.76 115.78 1qjs s ALA 76 Ca -0.38 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 1qjs s ALA 76 Cb 0.14 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.99 1qjs s ALA 76 CO 0.51 -0.62 0.68 0.00 0.00 0.00 0.00 175.76 176.32 1qjs s ALA 77 N -3.84 -1.75 0.09 0.00 0.00 -1.26 -0.64 121.76 114.35 1qjs s ALA 77 Ca 0.05 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1qjs s ALA 77 Cb 0.03 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1qjs s ALA 77 CO -0.10 -0.41 0.16 1.97 0.00 0.00 0.00 175.76 177.38 1qjs n PHE 78 N 0.78 -1.14 -3.58 0.00 1.16 -1.15 -4.41 117.46 109.12 1qjs n PHE 78 Ca -0.19 -0.46 -0.16 0.00 -1.87 0.00 0.00 57.45 54.77 1qjs n PHE 78 Cb 0.58 0.19 -0.13 0.00 -1.61 0.00 0.00 39.48 38.50 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 -2.07 0.15 -0.04 3.97 3.52 -1.26 -1.96 118.95 121.26 1qjs s ARG 79 Ca 0.04 0.47 0.02 0.00 -0.13 0.00 0.00 55.73 56.14 1qjs s ARG 79 Cb -0.01 -0.60 0.01 0.00 -1.56 0.00 0.00 34.95 32.79 1qjs s ARG 79 CO 0.03 -0.46 -0.10 -1.58 -0.81 0.00 0.00 175.30 172.38 1qjs s HIS 80 N 2.36 1.14 0.00 5.12 2.46 -0.59 -4.44 115.29 121.34 1qjs s HIS 80 Ca 0.04 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.23 1qjs s HIS 80 Cb -0.14 -0.84 0.00 0.00 -0.13 0.00 0.00 32.58 31.47 1qjs s HIS 80 CO -0.10 -0.18 0.00 0.41 -2.47 0.00 0.00 174.74 172.41 1qjs n GLY 81 N 3.58 0.93 4.80 1.59 0.00 -1.26 -3.55 105.19 111.28 1qjs n GLY 81 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.12 0.00 -0.07 1.61 -0.00 -1.26 -4.53 115.22 108.84 1qjs n HIS 82 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1qjs n HIS 82 Cb 0.00 -1.05 -0.06 0.00 -0.12 0.00 0.00 29.99 28.76 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 -1.93 0.76 -3.21 3.57 -2.24 -1.26 -4.37 114.28 105.60 1qjs n THR 83 Ca 0.00 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1qjs n THR 83 Cb 0.00 -1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 66.96 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 -5.62 6.89 -0.12 3.42 0.01 -1.23 -4.00 113.70 113.06 1qjs s SER 84 Ca -0.18 1.25 0.02 0.00 1.31 0.00 0.00 55.95 58.34 1qjs s SER 84 Cb 0.06 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1qjs s SER 84 CO 0.29 -0.00 -0.16 -0.69 0.41 0.00 0.00 173.24 173.09 1qjs s VAL 85 N -1.62 1.56 -0.24 3.43 1.01 -1.15 -1.54 120.40 121.85 1qjs s VAL 85 Ca 0.44 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1qjs s VAL 85 Cb -0.14 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1qjs s VAL 85 CO 0.20 0.45 0.29 -0.31 0.00 0.00 0.00 175.10 175.73 1qjs s TYR 86 N 1.05 3.30 -0.21 5.22 1.51 -0.83 -0.43 117.35 126.96 1qjs s TYR 86 Ca -0.05 0.37 0.00 0.00 -1.01 0.00 0.00 57.07 56.39 1qjs s TYR 86 Cb -0.15 -2.44 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 1qjs s TYR 86 CO -0.03 -0.07 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.69 1qjs s LEU 87 N 1.51 2.59 -0.14 -1.29 1.43 -0.57 -2.96 118.68 119.25 1qjs s LEU 87 Ca 0.13 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1qjs s LEU 87 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1qjs s LEU 87 CO 0.08 -0.05 0.07 -0.63 0.23 0.00 0.00 176.35 176.05 1qjs s ILE 88 N 1.30 4.89 -0.18 -0.59 1.01 0.18 -1.51 121.20 126.30 1qjs s ILE 88 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1qjs s ILE 88 Cb -0.15 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.26 1qjs s ILE 88 CO -0.09 0.54 0.38 -0.75 0.00 0.00 0.00 174.94 175.02 1qjs s LYS 89 N -0.32 0.28 7.13 2.79 2.20 -0.87 -0.01 119.74 130.94 1qjs s LYS 89 Ca 0.09 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1qjs s LYS 89 Cb -0.12 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1qjs s LYS 89 CO 0.02 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.16 1qjs n GLY 90 N 5.28 3.37 0.77 5.54 0.00 -1.26 -1.54 105.19 117.35 1qjs n GLY 90 Ca -0.09 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 3.40 2.24 -4.45 1.61 5.68 -1.26 -4.73 116.55 119.03 1qjs n ASP 91 Ca 0.00 -1.95 -0.29 0.00 -0.50 0.00 0.00 54.79 52.05 1qjs n ASP 91 Cb 0.00 -0.26 -0.12 0.00 -1.14 0.00 0.00 41.12 39.61 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 -1.49 1.64 -0.07 0.11 -2.85 -0.59 -0.93 119.74 115.55 1qjs s LYS 92 Ca 0.30 -1.30 0.04 0.00 -1.00 0.00 0.00 55.97 54.01 1qjs s LYS 92 Cb 0.16 -2.01 -0.00 0.00 -2.06 0.00 0.00 37.83 33.92 1qjs s LYS 92 CO 0.21 0.45 -0.21 0.08 0.10 0.00 0.00 175.35 175.98 1qjs s VAL 93 N -1.25 1.80 -0.40 1.79 1.01 0.16 -2.06 120.40 121.46 1qjs s VAL 93 Ca 0.18 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1qjs s VAL 93 Cb -0.10 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.82 1qjs s VAL 93 CO 0.09 0.50 0.19 0.26 0.00 0.00 0.00 175.10 176.15 1qjs s TRP 94 N 0.23 3.46 -0.36 5.22 0.51 -0.57 -0.72 118.94 126.71 1qjs s TRP 94 Ca -0.12 -2.08 -0.21 0.00 -2.12 0.00 0.00 56.10 51.57 1qjs s TRP 94 Cb -0.16 -2.98 0.01 0.00 -0.81 0.00 0.00 33.47 29.53 1qjs s TRP 94 CO 0.06 -0.91 0.69 0.08 -0.51 0.00 0.00 176.95 176.35 1qjs s VAL 95 N 1.24 4.83 -0.83 4.03 1.01 -1.26 -1.52 120.40 127.90 1qjs s VAL 95 Ca 0.04 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1qjs s VAL 95 Cb -0.22 -4.13 0.21 0.00 0.00 0.00 0.00 36.38 32.24 1qjs s VAL 95 CO -0.02 -0.36 0.73 -0.31 0.00 0.00 0.00 175.10 175.14 1qjs s TYR 96 N 2.85 3.77 0.08 5.22 2.02 0.42 -4.84 117.35 126.87 1qjs s TYR 96 Ca 0.27 -2.59 -0.24 0.00 -0.37 0.00 0.00 57.07 54.14 1qjs s TYR 96 Cb -0.14 -3.50 -0.06 0.00 -0.40 0.00 0.00 41.96 37.86 1qjs s TYR 96 CO 0.16 -0.88 0.75 -0.08 -1.57 0.00 0.00 175.55 173.93 1qjs s THR 97 N -0.53 4.64 -2.00 -0.71 -1.32 -1.26 -2.93 115.64 111.54 1qjs s THR 97 Ca 0.22 1.60 0.11 0.00 -1.21 0.00 0.00 61.69 62.41 1qjs s THR 97 Cb -0.12 -4.10 0.32 0.00 -1.51 0.00 0.00 72.50 67.09 1qjs s THR 97 CO -0.08 0.42 1.09 -1.20 -2.21 0.00 0.00 174.62 172.64 1qjs n SER 98 N 2.41 0.00 0.05 8.08 7.64 -1.26 -4.22 113.62 126.32 1qjs n SER 98 Ca -0.04 -0.56 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 -5.08 120.64 113.12 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 -2.71 0.66 -0.14 5.31 4.76 -1.26 -4.45 118.16 120.32 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 4.70 0.00 -2.39 4.39 3.02 -1.26 -4.49 115.26 119.22 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 39.14 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 -0.04 3.17 1.01 -1.26 -5.10 120.40 119.63 1qjs s VAL 104 Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1qjs s VAL 104 Cb 0.06 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1qjs s VAL 104 CO 0.15 0.51 -0.07 -0.31 0.00 0.00 0.00 175.10 175.38 1qjs s TYR 105 N -1.04 0.95 0.30 5.22 2.02 -1.26 -4.91 117.35 118.63 1qjs s TYR 105 Ca 0.17 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.29 1qjs s TYR 105 Cb -0.12 -0.75 -0.11 0.00 -0.40 0.00 0.00 41.96 40.58 1qjs s TYR 105 CO 0.07 -0.18 1.58 -2.14 -1.57 0.00 0.00 175.55 173.31 1qjs s PRO 106 N 0.66 4.12 0.31 -1.71 0.02 -1.26 -4.73 135.00 132.41 1qjs s PRO 106 Ca -0.10 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.59 1qjs s PRO 106 Cb -0.13 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.31 1qjs s PRO 106 CO 0.01 -0.62 -0.15 0.15 -0.33 0.00 0.00 177.00 176.06 1qjs s LYS 107 N -0.66 1.74 -0.01 5.54 1.02 0.10 -4.88 119.74 122.58 1qjs s LYS 107 Ca 0.62 -1.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 1qjs s LYS 107 Cb -0.47 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1qjs s LYS 107 CO 0.49 0.24 0.78 0.45 -0.92 0.00 0.00 175.35 176.39 1qjs s SER 108 N -3.55 7.15 0.24 2.83 0.15 -1.26 0.36 113.70 119.61 1qjs s SER 108 Ca 0.31 1.38 -0.05 0.00 0.70 0.00 0.00 55.95 58.29 1qjs s SER 108 Cb -0.02 -2.46 0.34 0.00 -1.71 0.00 0.00 66.02 62.17 1qjs s SER 108 CO 0.16 -0.10 1.85 0.25 1.20 0.00 0.00 173.24 176.60 1qjs h LEU 109 N 6.38 0.85 -1.36 3.45 5.85 -1.37 0.04 115.31 129.15 1qjs h LEU 109 Ca -0.42 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1qjs h LEU 109 Cb 1.20 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1qjs h LEU 109 CO 0.74 0.54 0.00 1.56 -0.34 0.00 0.00 178.44 180.94 1qjs h GLN 110 N 0.98 0.00 0.01 1.25 7.50 -1.80 0.40 115.11 123.45 1qjs h GLN 110 Ca 0.38 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.30 1qjs h GLN 110 Cb 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1qjs h GLN 110 CO -0.18 0.00 -1.24 -0.44 -1.50 0.00 0.00 178.83 175.48 1qjs h ASP 111 N 0.00 0.03 0.56 1.46 3.32 -1.46 -3.29 116.42 117.05 1qjs h ASP 111 Ca 0.00 -0.56 -0.03 0.00 0.02 0.00 0.00 57.03 56.46 1qjs h ASP 111 Cb 0.28 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1qjs h ASP 111 CO 0.00 1.49 -0.27 -0.33 -1.72 0.00 0.00 179.24 178.41 1qjs h GLU 112 N -0.93 -0.72 -3.10 3.56 4.39 -0.79 -3.39 114.58 113.59 1qjs h GLU 112 Ca -0.33 0.05 -0.69 0.00 0.34 0.00 0.00 59.36 58.73 1qjs h GLU 112 Cb 1.34 0.16 -0.37 0.00 -0.10 0.00 0.00 28.75 29.79 1qjs h GLU 112 CO -0.18 -0.48 -0.15 1.19 -1.16 0.00 0.00 179.01 178.23 1qjs n PHE 113 N -4.84 3.87 -1.69 4.33 3.72 0.14 -5.08 117.46 117.91 1qjs n PHE 113 Ca -0.09 -4.04 -0.43 0.00 -0.05 0.00 0.00 57.45 52.84 1qjs n PHE 113 Cb 0.30 -1.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.80 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 1.98 2.63 -0.21 -1.08 -0.04 -1.24 -2.55 135.00 134.48 1qjs n PRO 114 Ca 0.23 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 1qjs n PRO 114 Cb 0.37 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.08 0.86 3.69 0.55 0.00 -1.26 -4.92 105.19 108.19 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 -1.06 -5.04 121.20 116.65 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 0.14 1.09 -2.16 -1.23 0.00 0.00 174.94 172.78 1qjs s PRO 117 N 1.52 1.81 0.07 2.79 0.04 -1.26 -4.88 135.00 135.09 1qjs s PRO 117 Ca 0.36 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 1qjs s PRO 117 Cb -0.17 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1qjs s PRO 117 CO 0.14 -1.85 0.42 -0.59 0.04 0.00 0.00 177.00 175.17 1qjs s PHE 118 N -3.04 -0.27 0.04 0.56 -0.71 -1.26 -4.44 117.98 108.86 1qjs s PHE 118 Ca 0.62 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 56.36 1qjs s PHE 118 Cb -0.16 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1qjs s PHE 118 CO 0.55 -0.62 1.25 -2.14 -1.34 0.00 0.00 175.22 172.92 1qjs s PRO 119 N -2.86 4.38 0.40 1.99 0.02 -1.26 -5.03 135.00 132.64 1qjs s PRO 119 Ca -0.03 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.57 1qjs s PRO 119 Cb -0.00 -3.41 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 1qjs s PRO 119 CO -0.05 -0.36 1.01 -0.51 -0.33 0.00 0.00 177.00 176.76 1qjs s LEU 120 N 1.48 4.11 -0.04 -5.54 1.43 -1.26 -4.85 118.68 114.00 1qjs s LEU 120 Ca 0.60 1.93 0.18 0.00 -1.03 0.00 0.00 54.13 55.80 1qjs s LEU 120 Cb -0.30 -4.26 -0.22 0.00 0.03 0.00 0.00 46.19 41.45 1qjs s LEU 120 CO 0.27 -0.43 0.51 0.47 0.23 0.00 0.00 176.35 177.41 1qjs n ASP 121 N -0.16 0.41 -3.73 2.29 8.00 -0.05 -4.40 116.55 118.91 1qjs n ASP 121 Ca 0.05 0.18 -0.04 0.00 0.71 0.00 0.00 54.79 55.69 1qjs n ASP 121 Cb 0.51 0.80 -0.01 0.00 -0.02 0.00 0.00 41.12 42.39 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 -2.90 -1.65 -0.28 2.24 0.00 -0.96 -3.57 121.76 114.65 1qjs s ALA 122 Ca -0.06 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 51.89 1qjs s ALA 122 Cb 0.09 0.63 0.08 0.00 0.00 0.00 0.00 23.12 23.92 1qjs s ALA 122 CO 0.84 -1.00 0.75 0.00 0.00 0.00 0.00 175.76 176.35 1qjs s ALA 123 N -3.31 -1.86 -0.04 0.00 0.00 -1.25 -1.00 121.76 114.30 1qjs s ALA 123 Ca 0.11 2.16 0.02 0.00 0.00 0.00 0.00 51.96 54.25 1qjs s ALA 123 Cb -0.02 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.80 1qjs s ALA 123 CO 0.01 -0.34 -0.09 0.08 0.00 0.00 0.00 175.76 175.41 1qjs s VAL 124 N 0.84 0.86 0.28 0.00 1.01 -0.24 -4.45 120.40 118.70 1qjs s VAL 124 Ca -0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1qjs s VAL 124 Cb -0.05 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.45 1qjs s VAL 124 CO -0.08 0.28 1.11 -1.83 0.00 0.00 0.00 175.10 174.59 1qjs s GLU 125 N 0.41 4.62 -0.18 2.72 1.03 -1.26 -0.59 118.70 125.45 1qjs s GLU 125 Ca -0.07 1.83 0.00 0.00 0.03 0.00 0.00 54.97 56.77 1qjs s GLU 125 Cb -0.11 -3.18 0.04 0.00 -0.80 0.00 0.00 34.13 30.07 1qjs s GLU 125 CO 0.01 0.18 -0.10 0.00 -1.33 0.00 0.00 175.26 174.02 1qjs s HIS 127 N 1.48 2.49 0.12 0.00 3.76 -1.26 -0.55 115.29 121.34 1qjs s HIS 127 Ca 0.01 0.66 -0.25 0.00 -0.15 0.00 0.00 55.06 55.33 1qjs s HIS 127 Cb -0.15 -3.62 -0.07 0.00 1.11 0.00 0.00 32.58 29.85 1qjs s HIS 127 CO -0.09 -2.14 0.77 0.50 -0.85 0.00 0.00 174.74 172.93 1qjs s ARG 128 N -5.60 4.53 0.00 1.40 3.52 -1.26 -1.53 118.95 120.02 1qjs s ARG 128 Ca 0.65 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 1qjs s ARG 128 Cb -0.10 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1qjs s ARG 128 CO 0.51 0.46 0.00 0.41 -0.81 0.00 0.00 175.30 175.87 1qjs n GLY 129 N 1.91 2.34 0.06 8.12 0.00 -1.26 -4.75 105.19 111.61 1qjs n GLY 129 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 0.36 -2.30 1.61 1.02 -1.21 -1.98 120.64 118.14 1qjs n GLU 130 Ca 0.00 0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 57.09 1qjs n GLU 130 Cb 0.00 -1.20 0.06 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.44 0.03 -5.58 0.00 4.20 -1.82 -3.41 115.11 108.09 1qjs h GLN 132 Ca -0.44 -0.03 -0.52 0.00 0.06 0.00 0.00 58.65 57.71 1qjs h GLN 132 Cb 1.31 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.96 1qjs h GLN 132 CO 0.59 0.74 -0.67 -0.51 -0.67 0.00 0.00 178.83 178.32 1qjs s ASP 133 N -6.83 2.99 -0.07 1.46 1.11 -1.26 -4.49 116.67 109.57 1qjs s ASP 133 Ca -0.01 -1.21 -0.28 0.00 0.18 0.00 0.00 52.55 51.23 1qjs s ASP 133 Cb 0.12 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.87 1qjs s ASP 133 CO 0.78 -0.34 0.90 -0.70 1.18 0.00 0.00 175.17 176.99 1qjs s GLU 134 N -3.71 4.45 0.00 8.23 2.56 -1.26 -4.23 118.70 124.74 1qjs s GLU 134 Ca 0.31 1.22 0.00 0.00 0.00 0.00 0.00 54.97 56.50 1qjs s GLU 134 Cb 0.04 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.67 1qjs s GLU 134 CO 0.13 -0.14 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 1qjs n GLY 135 N 3.09 3.24 3.11 -1.50 0.00 0.29 -2.51 105.19 110.91 1qjs n GLY 135 Ca 0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.97 0.04 -0.21 -0.61 1.01 -0.78 -1.10 121.20 117.58 1qjs s ILE 136 Ca 0.00 -0.30 -0.05 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 -0.16 -0.00 -0.76 0.00 0.00 0.00 174.94 174.01 1qjs s LEU 137 N -0.58 3.20 -0.10 2.97 1.43 0.24 -0.53 118.68 125.31 1qjs s LEU 137 Ca -0.07 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1qjs s LEU 137 Cb -0.04 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1qjs s LEU 137 CO 0.01 0.04 -0.05 -0.36 0.23 0.00 0.00 176.35 176.22 1qjs s PHE 138 N 1.15 2.99 -0.18 0.29 0.08 -0.54 -1.08 117.98 120.70 1qjs s PHE 138 Ca 0.03 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.01 1qjs s PHE 138 Cb -0.14 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1qjs s PHE 138 CO 0.01 0.23 -0.15 -0.06 -0.10 0.00 0.00 175.22 175.15 1qjs s PHE 139 N -0.45 2.81 -0.33 0.36 0.40 -0.17 -1.84 117.98 118.76 1qjs s PHE 139 Ca 0.07 -1.23 -0.01 0.00 -0.60 0.00 0.00 56.93 55.15 1qjs s PHE 139 Cb -0.12 -1.94 0.12 0.00 0.51 0.00 0.00 43.02 41.59 1qjs s PHE 139 CO 0.02 -0.61 0.17 -1.14 0.70 0.00 0.00 175.22 174.36 1qjs s GLN 140 N 1.12 0.50 5.03 0.44 0.74 -0.60 -0.87 119.66 126.02 1qjs s GLN 140 Ca 0.00 -1.07 0.00 0.00 0.05 0.00 0.00 55.36 54.35 1qjs s GLN 140 Cb -0.14 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.54 1qjs s GLN 140 CO -0.05 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 173.99 1qjs n GLY 141 N 4.53 1.57 0.95 2.59 0.00 -1.26 -3.39 105.19 110.18 1qjs n GLY 141 Ca 0.03 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 5.69 3.18 -4.38 1.61 4.05 -1.26 -4.16 115.26 119.99 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 -0.24 -0.15 0.00 1.23 0.00 0.00 39.78 40.62 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 -1.22 2.35 0.16 1.20 1.70 -1.22 -4.90 118.95 117.02 1qjs s ARG 143 Ca 0.33 -0.82 0.07 0.00 -0.47 0.00 0.00 55.73 54.84 1qjs s ARG 143 Cb 0.19 -2.21 -0.04 0.00 -0.57 0.00 0.00 34.95 32.31 1qjs s ARG 143 CO 0.25 0.56 -0.03 0.15 -1.08 0.00 0.00 175.30 175.16 1qjs s LYS 144 N -0.60 2.33 -0.01 3.89 3.01 -1.24 -1.55 119.74 125.57 1qjs s LYS 144 Ca 0.09 -1.10 -0.04 0.00 -1.01 0.00 0.00 55.97 53.90 1qjs s LYS 144 Cb -0.11 -2.33 -0.00 0.00 -1.01 0.00 0.00 37.83 34.38 1qjs s LYS 144 CO 0.00 0.46 0.09 -1.58 0.51 0.00 0.00 175.35 174.83 1qjs s TRP 145 N -1.64 0.05 -0.15 3.18 0.51 -0.77 -1.91 118.94 118.20 1qjs s TRP 145 Ca 0.26 -0.10 -0.03 0.00 -2.12 0.00 0.00 56.10 54.11 1qjs s TRP 145 Cb -0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 33.47 32.48 1qjs s TRP 145 CO 0.17 -0.19 -0.05 0.12 -0.51 0.00 0.00 176.95 176.49 1qjs s PHE 146 N -0.95 2.99 -0.24 -1.98 5.36 -0.12 -1.47 117.98 121.58 1qjs s PHE 146 Ca -0.10 -0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 55.42 1qjs s PHE 146 Cb -0.06 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.64 1qjs s PHE 146 CO 0.00 -0.07 0.09 -0.46 -1.46 0.00 0.00 175.22 173.32 1qjs s TRP 147 N 0.38 3.16 -0.28 10.12 -0.11 0.31 -1.10 118.94 131.41 1qjs s TRP 147 Ca -0.05 -0.16 -0.24 0.00 1.22 0.00 0.00 56.10 56.87 1qjs s TRP 147 Cb -0.14 -2.22 -0.00 0.00 -1.50 0.00 0.00 33.47 29.60 1qjs s TRP 147 CO 0.03 -0.16 0.82 0.34 -4.62 0.00 0.00 176.95 173.36 1qjs s ASP 148 N 1.28 6.74 0.51 5.86 -1.08 -0.00 -1.87 116.67 128.10 1qjs s ASP 148 Ca 0.05 0.82 0.30 0.00 -0.52 0.00 0.00 52.55 53.20 1qjs s ASP 148 Cb -0.15 -2.43 1.26 0.00 -1.46 0.00 0.00 42.92 40.14 1qjs s ASP 148 CO 0.04 -0.60 1.95 -0.07 0.52 0.00 0.00 175.17 177.02 1qjs h LEU 149 N 9.40 0.00 0.41 -1.34 3.38 -1.81 0.15 115.31 125.50 1qjs h LEU 149 Ca -0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1qjs h LEU 149 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qjs h LEU 149 CO 0.89 0.09 -0.20 0.74 0.09 0.00 0.00 178.44 180.06 1qjs h THR 150 N 0.00 0.00 0.00 0.22 2.02 -1.91 -3.35 112.91 109.88 1qjs h THR 150 Ca -0.00 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1qjs h THR 150 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1qjs h THR 150 CO 0.01 0.00 -0.27 0.74 0.37 0.00 0.00 175.52 176.37 1qjs h THR 151 N -1.12 0.00 -4.99 3.16 2.02 -1.94 -3.48 112.91 106.55 1qjs h THR 151 Ca -0.06 -0.80 -0.26 0.00 0.77 0.00 0.00 66.41 66.07 1qjs h THR 151 Cb 0.42 1.64 0.14 0.00 -1.74 0.00 0.00 68.15 68.62 1qjs h THR 151 CO 0.09 0.00 -0.64 0.61 0.37 0.00 0.00 175.52 175.95 1qjs n GLY 152 N 1.20 -0.32 3.11 2.16 0.00 0.52 -5.02 105.19 106.84 1qjs n GLY 152 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.30 0.20 0.09 2.61 2.01 -1.21 -4.98 115.64 111.06 1qjs s THR 153 Ca 0.07 -1.71 0.09 0.00 0.31 0.00 0.00 61.69 60.45 1qjs s THR 153 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1qjs s THR 153 CO 0.60 -0.92 -0.21 -1.59 -0.69 0.00 0.00 174.62 171.81 1qjs s LYS 154 N -3.91 1.80 -0.14 4.92 -2.85 -1.26 -0.82 119.74 117.47 1qjs s LYS 154 Ca 0.07 -1.14 0.01 0.00 -1.00 0.00 0.00 55.97 53.91 1qjs s LYS 154 Cb 0.07 -2.08 0.02 0.00 -2.06 0.00 0.00 37.83 33.78 1qjs s LYS 154 CO -0.10 0.50 -0.16 0.15 0.10 0.00 0.00 175.35 175.84 1qjs s LYS 155 N -1.80 2.43 -0.12 1.78 3.01 -0.26 -4.95 119.74 119.84 1qjs s LYS 155 Ca 0.15 -0.62 -0.21 0.00 -1.01 0.00 0.00 55.97 54.28 1qjs s LYS 155 Cb -0.10 -2.13 -0.04 0.00 -1.01 0.00 0.00 37.83 34.55 1qjs s LYS 155 CO 0.07 -0.16 0.60 -2.00 0.51 0.00 0.00 175.35 174.37 1qjs s GLU 156 N 1.24 4.33 0.12 1.68 2.12 -1.26 -0.95 118.70 125.98 1qjs s GLU 156 Ca 0.00 0.64 0.05 0.00 0.36 0.00 0.00 54.97 56.02 1qjs s GLU 156 Cb -0.14 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1qjs s GLU 156 CO -0.07 0.01 0.06 1.03 -0.54 0.00 0.00 175.26 175.75 1qjs s ARG 157 N 1.07 2.74 -0.34 4.30 3.00 -0.80 -5.00 118.95 123.91 1qjs s ARG 157 Ca 0.31 -0.83 0.04 0.00 0.00 0.00 0.00 55.73 55.24 1qjs s ARG 157 Cb -0.16 -2.61 0.10 0.00 0.00 0.00 0.00 34.95 32.28 1qjs s ARG 157 CO 0.13 0.52 0.06 0.45 0.00 0.00 0.00 175.30 176.46 1qjs s SER 158 N -2.63 4.80 -0.39 0.23 0.15 -1.26 -3.71 113.70 110.88 1qjs s SER 158 Ca 0.29 -2.15 -0.02 0.00 0.70 0.00 0.00 55.95 54.76 1qjs s SER 158 Cb -0.11 -1.64 0.10 0.00 -1.71 0.00 0.00 66.02 62.66 1qjs s SER 158 CO 0.21 -0.39 0.18 0.26 1.20 0.00 0.00 173.24 174.70 1qjs s TRP 159 N 0.92 3.57 0.20 3.44 0.51 -1.26 -4.97 118.94 121.33 1qjs s TRP 159 Ca 0.11 -2.39 0.18 0.00 -2.12 0.00 0.00 56.10 51.88 1qjs s TRP 159 Cb -0.19 -3.09 0.69 0.00 -0.81 0.00 0.00 33.47 30.07 1qjs s TRP 159 CO -0.08 -0.95 1.75 -1.35 -0.51 0.00 0.00 176.95 175.81 1qjs h PRO 160 N 8.02 0.00 0.10 4.98 0.11 -1.95 -3.27 132.00 139.99 1qjs h PRO 160 Ca -0.13 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.74 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 0.67 0.38 -0.97 0.00 -0.21 0.00 0.00 178.00 177.87 1qjs h ALA 161 N 1.62 -0.02 -2.71 -0.75 0.00 -1.94 -3.42 119.26 112.04 1qjs h ALA 161 Ca -0.00 -0.70 -0.51 0.00 0.00 0.00 0.00 54.91 53.69 1qjs h ALA 161 Cb 0.87 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1qjs h ALA 161 CO 0.05 0.51 0.49 0.08 0.00 0.00 0.00 179.25 180.38 1qjs s VAL 162 N -2.88 3.69 0.00 0.00 1.01 -1.23 -4.98 120.40 116.01 1qjs s VAL 162 Ca -0.12 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1qjs s VAL 162 Cb 0.04 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1qjs s VAL 162 CO 0.88 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.88 1qjs n GLY 163 N 1.78 0.54 3.37 4.51 0.00 -1.26 -4.84 105.19 109.28 1qjs n GLY 163 Ca 0.02 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 -0.76 5.52 -0.15 1.61 -0.87 -1.26 -4.68 114.94 114.36 1qjs s ASN 164 Ca 0.00 -0.87 -0.19 0.00 -1.57 0.00 0.00 52.86 50.23 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 -0.30 0.54 0.00 -2.57 0.00 0.00 177.10 174.77 1qjs h THR 166 N 4.91 0.00 -1.91 0.00 1.35 -0.40 -3.39 112.91 113.47 1qjs h THR 166 Ca -0.37 -0.78 0.23 0.00 -0.55 0.00 0.00 66.41 64.93 1qjs h THR 166 Cb 1.17 1.77 -0.12 0.00 -1.73 0.00 0.00 68.15 69.23 1qjs h THR 166 CO 0.75 0.00 0.65 -0.94 -0.25 0.00 0.00 175.52 175.73 1qjs s SER 167 N -5.63 -0.17 -0.16 5.36 1.04 -1.23 -4.56 113.70 108.36 1qjs s SER 167 Ca 0.07 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 1qjs s SER 167 Cb 0.08 0.31 0.09 0.00 0.10 0.00 0.00 66.02 66.60 1qjs s SER 167 CO 0.63 -0.56 0.80 0.00 0.98 0.00 0.00 173.24 175.09 1qjs s ALA 168 N -2.85 -1.83 0.12 5.32 0.00 -1.26 -0.52 121.76 120.74 1qjs s ALA 168 Ca 0.11 1.62 -0.05 0.00 0.00 0.00 0.00 51.96 53.64 1qjs s ALA 168 Cb 0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1qjs s ALA 168 CO -0.03 -0.33 0.14 -0.48 0.00 0.00 0.00 175.76 175.06 1qjs s LEU 169 N -0.61 1.56 -0.14 0.00 0.05 -0.63 -4.51 118.68 114.39 1qjs s LEU 169 Ca -0.05 -0.97 -0.02 0.00 0.05 0.00 0.00 54.13 53.14 1qjs s LEU 169 Cb -0.02 0.70 -0.02 0.00 -2.05 0.00 0.00 46.19 44.80 1qjs s LEU 169 CO 0.04 -0.76 -0.08 -0.60 -0.55 0.00 0.00 176.35 174.40 1qjs s ARG 170 N -3.97 3.55 -0.05 1.48 3.52 -1.26 0.34 118.95 122.57 1qjs s ARG 170 Ca 0.16 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1qjs s ARG 170 Cb 0.06 -2.80 0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1qjs s ARG 170 CO -0.03 0.23 0.08 -0.46 -0.81 0.00 0.00 175.30 174.31 1qjs s TRP 171 N 0.36 -0.00 -1.36 5.12 -0.00 0.15 -4.86 118.94 118.34 1qjs s TRP 171 Ca -0.07 0.31 -0.13 0.00 -0.00 0.00 0.00 56.10 56.21 1qjs s TRP 171 Cb -0.15 -0.37 0.11 0.00 -0.00 0.00 0.00 33.47 33.06 1qjs s TRP 171 CO 0.04 -0.18 0.55 1.28 -0.00 0.00 0.00 176.95 178.64 1qjs n LEU 172 N 5.01 -1.43 0.00 5.86 4.77 -1.26 -0.88 117.00 129.07 1qjs n LEU 172 Ca -0.10 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1qjs n LEU 172 Cb 0.50 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 1qjs n LEU 172 CO 0.10 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1qjs n GLY 173 N -1.18 1.16 3.79 -0.72 0.00 -1.26 -4.98 105.19 101.99 1qjs n GLY 173 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.66 3.33 -0.21 1.61 0.52 -0.05 -5.08 118.95 118.41 1qjs s ARG 174 Ca 0.00 -0.25 -0.07 0.00 -0.52 0.00 0.00 55.73 54.89 1qjs s ARG 174 Cb 0.00 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 1qjs s ARG 174 CO 0.00 0.70 0.05 0.71 0.02 0.00 0.00 175.30 176.78 1qjs s TYR 175 N -0.84 3.13 0.05 -0.53 1.51 -1.26 0.33 117.35 119.74 1qjs s TYR 175 Ca 0.13 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 1qjs s TYR 175 Cb -0.12 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 1qjs s TYR 175 CO 0.03 -0.13 -0.15 0.71 -1.11 0.00 0.00 175.55 174.90 1qjs s TYR 176 N 0.99 2.65 -0.23 2.71 2.02 0.15 -2.23 117.35 123.40 1qjs s TYR 176 Ca 0.03 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1qjs s TYR 176 Cb -0.14 -1.48 0.06 0.00 -0.40 0.00 0.00 41.96 40.00 1qjs s TYR 176 CO 0.03 0.32 -0.04 0.00 -1.57 0.00 0.00 175.55 174.28 1qjs s PHE 178 N 1.43 3.66 -0.71 0.00 0.40 0.32 -2.00 117.98 121.08 1qjs s PHE 178 Ca -0.05 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 57.79 1qjs s PHE 178 Cb -0.19 -2.90 0.25 0.00 0.51 0.00 0.00 43.02 40.69 1qjs s PHE 178 CO -0.07 0.13 0.81 1.04 0.70 0.00 0.00 175.22 177.84 1qjs n GLN 179 N 3.44 2.70 0.00 0.44 6.02 1.00 0.29 117.38 131.27 1qjs n GLN 179 Ca 0.00 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.35 1qjs n GLN 179 Cb 0.51 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.47 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 1.06 2.18 0.19 1.08 0.00 -1.26 -2.34 105.19 106.09 1qjs n GLY 180 Ca 0.28 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.35 1.61 -0.73 -1.93 -3.42 115.58 109.76 1qjs h ASN 181 Ca 0.00 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.54 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 -3.48 2.03 0.15 6.67 -0.21 -0.99 -1.63 119.66 122.20 1qjs s GLN 182 Ca 0.02 -2.22 -0.17 0.00 0.02 0.00 0.00 55.36 53.02 1qjs s GLN 182 Cb 0.09 -1.45 0.03 0.00 1.00 0.00 0.00 33.01 32.68 1qjs s GLN 182 CO 0.43 -0.22 0.45 -0.59 -2.12 0.00 0.00 175.29 173.24 1qjs s PHE 183 N -2.87 -0.16 -0.05 0.91 -0.71 -0.37 -0.00 117.98 114.73 1qjs s PHE 183 Ca 0.22 -0.16 -0.04 0.00 -1.04 0.00 0.00 56.93 55.90 1qjs s PHE 183 Cb 0.06 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1qjs s PHE 183 CO 0.11 -0.79 0.13 -0.48 -1.34 0.00 0.00 175.22 172.85 1qjs s LEU 184 N -2.83 1.48 0.19 -1.99 0.05 -0.85 -1.34 118.68 113.39 1qjs s LEU 184 Ca 0.06 0.26 -0.19 0.00 0.05 0.00 0.00 54.13 54.31 1qjs s LEU 184 Cb 0.01 0.44 -0.08 0.00 -2.05 0.00 0.00 46.19 44.51 1qjs s LEU 184 CO -0.08 -0.05 0.67 -0.60 -0.55 0.00 0.00 176.35 175.74 1qjs s ARG 185 N 0.10 4.20 0.05 1.48 3.52 -1.26 -2.30 118.95 124.74 1qjs s ARG 185 Ca -0.00 0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 56.35 1qjs s ARG 185 Cb -0.01 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 1qjs s ARG 185 CO -0.00 0.44 0.01 -0.59 -0.81 0.00 0.00 175.30 174.36 1qjs s PHE 186 N -1.45 0.39 -0.24 5.12 -0.71 -0.95 -4.10 117.98 116.04 1qjs s PHE 186 Ca 0.40 -0.85 -0.25 0.00 -1.04 0.00 0.00 56.93 55.19 1qjs s PHE 186 Cb -0.17 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 1qjs s PHE 186 CO 0.21 -0.37 0.84 1.21 -1.34 0.00 0.00 175.22 175.76 1qjs s ASN 187 N -2.59 6.85 0.45 1.98 3.84 -0.59 -4.52 114.94 120.37 1qjs s ASN 187 Ca 0.02 1.06 0.25 0.00 0.21 0.00 0.00 52.86 54.40 1qjs s ASN 187 Cb 0.04 -2.44 1.38 0.00 -0.55 0.00 0.00 41.25 39.67 1qjs s ASN 187 CO -0.08 -0.51 1.75 1.55 -2.79 0.00 0.00 177.10 177.02 1qjs h PRO 188 N 7.64 0.00 0.00 0.43 0.13 -1.92 0.52 132.00 138.80 1qjs h PRO 188 Ca -0.23 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.62 1qjs h PRO 188 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1qjs h PRO 188 CO 0.87 0.00 -1.80 0.28 -0.23 0.00 0.00 178.00 177.13 1qjs n VAL 189 N -2.48 1.51 0.00 1.56 0.31 -1.26 -4.75 118.33 113.23 1qjs n VAL 189 Ca -0.02 -0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 1qjs n VAL 189 Cb 0.18 -2.06 -0.13 0.00 -0.91 0.00 0.00 33.84 30.93 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 -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1qjs h SER 190 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1qjs h SER 190 CO -0.26 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1qjs n GLY 191 N 1.49 0.73 3.72 -0.77 0.00 0.16 -4.93 105.19 105.61 1qjs n GLY 191 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.37 4.56 -0.20 1.61 2.02 -1.26 -4.28 118.70 120.77 1qjs s GLU 192 Ca 0.00 1.64 -0.07 0.00 0.02 0.00 0.00 54.97 56.56 1qjs s GLU 192 Cb 0.00 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1qjs s GLU 192 CO 0.00 -0.02 0.05 0.08 0.02 0.00 0.00 175.26 175.39 1qjs s VAL 193 N 0.37 4.48 0.59 2.63 1.01 -1.26 -1.54 120.40 126.68 1qjs s VAL 193 Ca 0.52 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 1qjs s VAL 193 Cb -0.27 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1qjs s VAL 193 CO 0.31 0.42 1.25 -2.84 0.00 0.00 0.00 175.10 174.24 1qjs s PRO 194 N 0.85 2.95 0.37 2.72 0.02 -1.26 -4.94 135.00 135.71 1qjs s PRO 194 Ca 0.03 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.73 1qjs s PRO 194 Cb -0.14 -2.00 -0.11 0.00 0.02 0.00 0.00 34.50 32.27 1qjs s PRO 194 CO 0.02 -1.26 1.47 -1.25 -0.33 0.00 0.00 177.00 175.65 1qjs s PRO 195 N -3.22 4.14 0.00 5.54 0.04 -1.26 -3.88 135.00 136.36 1qjs s PRO 195 Ca 0.77 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.33 1qjs s PRO 195 Cb -0.34 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1qjs s PRO 195 CO 0.37 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1qjs n GLY 196 N 0.59 1.86 3.21 0.56 0.00 -1.26 -5.14 105.19 105.00 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 1.18 0.90 1.61 2.02 -1.25 -4.67 117.35 115.13 1qjs s TYR 197 Ca 0.00 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 55.92 1qjs s TYR 197 Cb 0.00 -0.62 0.13 0.00 -0.40 0.00 0.00 41.96 41.07 1qjs s TYR 197 CO 0.00 0.05 1.11 -2.14 -1.57 0.00 0.00 175.55 172.99 1qjs s PRO 198 N -3.01 1.25 0.11 -1.71 0.02 -1.26 -5.09 135.00 125.31 1qjs s PRO 198 Ca 0.09 0.56 0.04 0.00 0.02 0.00 0.00 61.00 61.71 1qjs s PRO 198 Cb -0.02 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1qjs s PRO 198 CO 0.01 -2.18 -0.11 -0.51 -0.33 0.00 0.00 177.00 173.87 1qjs s LEU 199 N -6.11 2.42 -0.00 -5.54 1.02 -0.45 -4.95 118.68 105.07 1qjs s LEU 199 Ca 0.63 -0.84 -0.23 0.00 0.02 0.00 0.00 54.13 53.71 1qjs s LEU 199 Cb -0.16 -0.37 -0.05 0.00 0.02 0.00 0.00 46.19 45.63 1qjs s LEU 199 CO 0.55 -0.25 0.68 -0.62 0.02 0.00 0.00 176.35 176.74 1qjs s ASP 200 N -2.56 7.06 0.28 2.29 -1.08 -1.26 -1.24 116.67 120.16 1qjs s ASP 200 Ca 0.08 1.27 -0.03 0.00 -0.52 0.00 0.00 52.55 53.35 1qjs s ASP 200 Cb -0.02 -2.41 0.39 0.00 -1.46 0.00 0.00 42.92 39.41 1qjs s ASP 200 CO 0.01 0.02 1.93 0.58 0.52 0.00 0.00 175.17 178.22 1qjs h VAL 201 N 4.27 1.18 0.00 1.11 2.07 -1.62 -2.62 116.25 120.65 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 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 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 -4.43 0.77 0.00 1.57 1.74 -1.26 -1.85 116.66 113.20 1qjs n ARG 202 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1qjs n ARG 202 Cb 0.08 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.57 1.28 0.00 0.55 8.00 -0.99 -4.37 116.55 121.60 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 0.37 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.57 0.00 0.27 1.24 4.01 -1.04 -3.04 117.16 118.02 1qjs n TYR 204 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1qjs n TYR 204 Cb 0.05 0.00 0.75 0.00 -0.31 0.00 0.00 39.34 39.83 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 -4.36 -0.72 0.04 -1.65 -3.43 116.94 106.82 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 0.10 -0.86 -0.51 -0.60 0.00 0.00 178.31 176.44 1qjs s LEU 206 N -7.08 2.03 -0.85 1.54 1.02 -0.89 -4.25 118.68 110.19 1qjs s LEU 206 Ca -0.02 -0.40 -0.20 0.00 0.02 0.00 0.00 54.13 53.52 1qjs s LEU 206 Cb 0.13 -1.12 0.10 0.00 0.02 0.00 0.00 46.19 45.32 1qjs s LEU 206 CO 0.57 0.25 1.10 -0.44 0.02 0.00 0.00 176.35 177.86 1qjs s SER 207 N -0.42 6.47 -0.13 2.29 0.01 -0.51 -3.84 113.70 117.58 1qjs s SER 207 Ca 0.06 -1.65 -0.05 0.00 1.31 0.00 0.00 55.95 55.61 1qjs s SER 207 Cb -0.09 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1qjs s SER 207 CO -0.00 -1.23 0.06 0.00 0.41 0.00 0.00 173.24 172.49 1qjs n PRO 209 N 2.65 2.04 -1.12 0.00 -0.02 -1.26 -1.48 135.00 135.81 1qjs n PRO 209 Ca -0.18 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 61.98 1qjs n PRO 209 Cb 0.53 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.86 0.63 3.11 -1.23 0.00 -1.26 -4.98 105.19 103.33 1qjs n GLY 210 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.70 0.56 0.00 1.61 0.52 -0.55 -5.15 118.95 114.24 1qjs s ARG 211 Ca 0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1qjs s ARG 211 Cb 0.00 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1qjs s ARG 211 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1qjs n GLY 212 N 0.93 -2.30 0.00 -3.53 0.00 -1.26 -4.38 105.19 94.66 1qjs n GLY 212 Ca -0.20 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 2.17 0.00 -3.00 1.61 1.44 -1.17 -4.89 115.22 111.38 1qjs n HIS 213 Ca 0.00 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.27 1qjs n HIS 213 Cb 0.00 0.01 -0.04 0.00 0.12 0.00 0.00 29.99 30.08 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 3.12 0.00 -1.40 3.00 -1.26 -4.45 118.95 117.96 1qjs s ARG 214 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 55.73 54.55 1qjs s ARG 214 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 34.95 30.65 1qjs s ARG 214 CO 0.00 -1.67 0.00 -1.13 0.00 0.00 0.00 175.30 172.50 1qjs n SER 215 N 6.87 0.00 -4.79 0.23 3.41 -1.26 -5.11 113.62 112.97 1qjs n SER 215 Ca -0.04 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 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 5.47 -0.30 4.04 1.04 -1.26 -5.08 113.70 117.61 1qjs s SER 216 Ca 0.00 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 1qjs s SER 216 Cb 0.00 -1.42 0.19 0.00 0.10 0.00 0.00 66.02 64.89 1qjs s SER 216 CO 0.00 0.08 0.97 -1.00 0.98 0.00 0.00 173.24 174.28 1qjs s HIS 217 N -1.70 -0.71 0.00 5.02 3.76 -1.26 -4.94 115.29 115.47 1qjs s HIS 217 Ca 0.30 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 1qjs s HIS 217 Cb -0.10 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.73 1qjs s HIS 217 CO 0.23 -0.41 0.00 0.54 -0.85 0.00 0.00 174.74 174.25 1qjs n ARG 218 N 5.22 0.00 -4.72 1.40 1.74 -1.26 -5.17 116.66 113.87 1qjs n ARG 218 Ca 0.06 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 1qjs n ARG 218 Cb 0.56 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.84 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 1.03 2.67 0.00 -1.55 3.76 -1.26 -4.92 115.29 115.02 1qjs s HIS 223 Ca 0.00 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1qjs s HIS 223 Cb 0.00 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.88 1qjs s HIS 223 CO 0.00 -0.58 0.00 0.41 -0.85 0.00 0.00 174.74 173.72 1qjs n GLY 224 N 4.01 1.39 3.75 -2.22 0.00 -1.26 -4.33 105.19 106.53 1qjs n GLY 224 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.51 3.91 0.65 1.61 5.04 -1.26 -4.57 115.29 118.17 1qjs s HIS 225 Ca 0.00 1.87 0.25 0.00 -1.54 0.00 0.00 55.06 55.64 1qjs s HIS 225 Cb 0.00 -3.03 1.31 0.00 0.04 0.00 0.00 32.58 30.90 1qjs s HIS 225 CO 0.00 0.28 1.74 1.49 -2.34 0.00 0.00 174.74 175.91 1qjs h GLU 226 N 4.22 0.00 -0.26 2.88 4.22 -1.96 -1.40 114.58 122.29 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 30.41 1qjs h GLU 226 CO 0.68 0.00 0.02 0.77 -2.18 0.00 0.00 179.01 178.30 1qjs h SER 227 N 0.00 -0.06 0.18 1.04 0.02 -1.92 -2.72 113.55 110.09 1qjs h SER 227 Ca 0.04 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1qjs h SER 227 Cb 1.01 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1qjs h SER 227 CO -0.00 0.00 0.00 0.41 -1.14 0.00 0.00 176.83 176.10 1qjs n THR 228 N -5.13 1.35 -0.31 -2.27 -1.04 -0.53 -4.19 114.28 102.16 1qjs n THR 228 Ca -0.01 0.51 0.16 0.00 -2.04 0.00 0.00 64.05 62.67 1qjs n THR 228 Cb 0.13 -1.46 0.34 0.00 -1.82 0.00 0.00 70.33 67.52 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 0.33 -0.48 -2.82 2.43 -1.63 -1.97 114.38 110.24 1qjs h ARG 229 Ca 0.00 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 1qjs h ARG 229 Cb 0.09 -0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.46 1qjs h ARG 229 CO 0.00 0.22 0.10 0.00 -1.51 0.00 0.00 179.97 178.78 1qjs s ASP 231 N -1.96 7.13 0.62 0.00 -1.08 -0.74 -4.93 116.67 115.71 1qjs s ASP 231 Ca 0.47 1.41 0.35 0.00 -0.52 0.00 0.00 52.55 54.26 1qjs s ASP 231 Cb 0.40 -2.53 2.04 0.00 -1.46 0.00 0.00 42.92 41.37 1qjs s ASP 231 CO 0.06 -0.55 2.30 1.55 0.52 0.00 0.00 175.17 179.05 1qjs h PRO 232 N 7.31 0.00 -1.03 4.34 0.13 -1.92 -1.87 132.00 138.96 1qjs h PRO 232 Ca -0.25 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.30 1qjs h PRO 232 Cb 1.10 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.95 1qjs h PRO 232 CO 0.91 0.00 0.74 -0.25 -0.23 0.00 0.00 178.00 179.18 1qjs n ASP 233 N -3.58 5.91 -4.71 1.44 8.00 -1.26 -4.73 116.55 117.62 1qjs n ASP 233 Ca -0.03 -3.63 -0.40 0.00 0.71 0.00 0.00 54.79 51.44 1qjs n ASP 233 Cb 0.08 -0.92 -0.05 0.00 -0.02 0.00 0.00 41.12 40.22 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 -3.40 4.30 -0.21 0.64 2.96 -0.70 -5.05 118.68 117.22 1qjs s LEU 234 Ca 0.58 1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 55.57 1qjs s LEU 234 Cb 0.47 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1qjs s LEU 234 CO 0.04 -0.14 0.08 -0.69 -1.32 0.00 0.00 176.35 174.32 1qjs s VAL 235 N 0.93 4.70 0.17 1.68 1.01 -1.26 -4.57 120.40 123.05 1qjs s VAL 235 Ca 0.37 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1qjs s VAL 235 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1qjs s VAL 235 CO 0.17 0.41 0.22 -0.76 0.00 0.00 0.00 175.10 175.13 1qjs s LEU 236 N 0.84 4.07 0.00 3.92 1.43 -1.26 -4.65 118.68 123.02 1qjs s LEU 236 Ca 0.04 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1qjs s LEU 236 Cb -0.14 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1qjs s LEU 236 CO 0.02 0.05 0.05 -1.54 0.23 0.00 0.00 176.35 175.17 1qjs n SER 237 N -0.54 0.11 -3.62 2.29 3.41 -0.42 -4.71 113.62 110.15 1qjs n SER 237 Ca -0.08 -0.44 -0.08 0.00 -0.26 0.00 0.00 58.87 58.01 1qjs n SER 237 Cb 0.55 0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.52 -1.55 -0.05 7.33 0.00 -1.24 -4.04 121.76 121.69 1qjs s ALA 238 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1qjs s ALA 238 Cb 0.00 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1qjs s ALA 238 CO 0.00 -0.88 0.36 -1.64 0.00 0.00 0.00 175.76 173.60 1qjs s MET 239 N -3.59 0.65 0.27 0.00 1.00 -1.26 -0.70 119.30 115.67 1qjs s MET 239 Ca 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 55.69 55.60 1qjs s MET 239 Cb -0.02 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.11 1qjs s MET 239 CO -0.04 -0.17 0.62 0.08 0.00 0.00 0.00 175.02 175.51 1qjs s VAL 240 N -0.97 0.00 -0.23 -6.03 1.01 -1.12 -4.53 120.40 108.54 1qjs s VAL 240 Ca -0.10 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 1qjs s VAL 240 Cb -0.04 -2.12 0.10 0.00 0.00 0.00 0.00 36.38 34.32 1qjs s VAL 240 CO 0.04 0.00 0.49 -0.55 0.00 0.00 0.00 175.10 175.08 1qjs s SER 241 N -2.97 -0.54 0.78 3.32 0.15 -1.26 -1.90 113.70 111.27 1qjs s SER 241 Ca 0.16 1.18 -0.09 0.00 0.70 0.00 0.00 55.95 57.90 1qjs s SER 241 Cb -0.04 1.66 0.09 0.00 -1.71 0.00 0.00 66.02 66.03 1qjs s SER 241 CO 0.08 -0.23 1.12 1.51 1.20 0.00 0.00 173.24 176.92 1qjs s ASP 242 N 2.71 4.43 0.00 5.45 1.47 0.46 -4.76 116.67 126.42 1qjs s ASP 242 Ca -0.03 0.49 0.02 0.00 1.18 0.00 0.00 52.55 54.21 1qjs s ASP 242 Cb -0.12 -0.98 0.08 0.00 -0.34 0.00 0.00 42.92 41.57 1qjs s ASP 242 CO -0.15 -1.89 1.02 -0.46 0.68 0.00 0.00 175.17 174.37 1qjs n ASN 243 N -3.18 0.00 -0.31 2.11 0.23 -1.26 -0.62 115.26 112.23 1qjs n ASN 243 Ca 0.09 0.44 0.09 0.00 -0.53 0.00 0.00 54.58 54.68 1qjs n ASN 243 Cb 0.60 -0.45 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.45 0.00 0.00 -2.53 8.25 -1.26 -4.97 115.22 113.26 1qjs n HIS 244 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1qjs n HIS 244 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 1.35 0.71 3.62 -1.41 0.00 0.21 -5.02 105.19 104.64 1qjs n GLY 245 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.14 -0.22 4.61 0.00 -1.26 -4.77 121.76 121.27 1qjs s ALA 246 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1qjs s ALA 246 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1qjs s ALA 246 CO 0.00 -2.18 0.04 0.99 0.00 0.00 0.00 175.76 174.61 1qjs s THR 247 N 5.45 4.20 0.42 0.00 2.01 -1.26 -0.41 115.64 126.05 1qjs s THR 247 Ca 0.67 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1qjs s THR 247 Cb -0.20 -2.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 1qjs s THR 247 CO 0.30 0.40 0.07 -0.31 -0.69 0.00 0.00 174.62 174.39 1qjs s TYR 248 N 1.17 2.51 -0.14 4.92 1.51 -0.80 0.31 117.35 126.82 1qjs s TYR 248 Ca 0.04 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.39 1qjs s TYR 248 Cb -0.14 -1.83 0.07 0.00 -0.11 0.00 0.00 41.96 39.94 1qjs s TYR 248 CO 0.02 0.34 0.29 0.54 -1.11 0.00 0.00 175.55 175.64 1qjs s VAL 249 N -2.68 -0.44 0.36 0.71 0.11 -0.88 -2.79 120.40 114.78 1qjs s VAL 249 Ca 0.36 0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 59.56 1qjs s VAL 249 Cb 0.07 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.37 1qjs s VAL 249 CO 0.19 0.11 0.71 -0.36 -3.33 0.00 0.00 175.10 172.41 1qjs s PHE 250 N 2.40 3.45 -0.30 1.54 0.40 0.12 -0.83 117.98 124.76 1qjs s PHE 250 Ca 0.00 0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 57.27 1qjs s PHE 250 Cb -0.12 -2.39 0.19 0.00 0.51 0.00 0.00 43.02 41.21 1qjs s PHE 250 CO -0.09 0.01 0.76 0.45 0.70 0.00 0.00 175.22 177.04 1qjs s SER 251 N -2.94 -1.06 1.82 1.36 0.15 -0.89 -1.30 113.70 110.83 1qjs s SER 251 Ca 0.50 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1qjs s SER 251 Cb -0.10 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 1qjs s SER 251 CO 0.28 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1qjs n GLY 252 N 5.44 3.91 0.65 9.45 0.00 -1.26 -1.56 105.19 121.83 1qjs n GLY 252 Ca -0.03 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 9.11 2.31 -3.48 1.61 7.64 -1.26 -4.22 113.62 125.34 1qjs n SER 253 Ca 0.00 -1.66 -0.16 0.00 1.01 0.00 0.00 58.87 58.06 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 0.46 0.04 -4.02 1.43 -0.00 -0.60 -1.72 115.22 110.80 1qjs n HIS 254 Ca 0.12 -1.32 -0.10 0.00 -0.00 0.00 0.00 57.72 56.42 1qjs n HIS 254 Cb 0.51 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.99 30.22 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 -1.80 0.53 -0.11 4.41 -0.85 0.36 -2.10 117.35 117.79 1qjs s TYR 255 Ca 0.06 -0.87 -0.00 0.00 -0.52 0.00 0.00 57.07 55.74 1qjs s TYR 255 Cb -0.00 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.30 1qjs s TYR 255 CO 0.04 -0.81 -0.08 -1.58 -1.52 0.00 0.00 175.55 171.60 1qjs s TRP 256 N -4.02 1.51 0.14 -3.49 0.51 -0.01 -2.50 118.94 111.07 1qjs s TRP 256 Ca 0.23 -0.74 -0.25 0.00 -2.12 0.00 0.00 56.10 53.22 1qjs s TRP 256 Cb 0.03 -1.24 -0.07 0.00 -0.81 0.00 0.00 33.47 31.38 1qjs s TRP 256 CO 0.06 -0.50 0.78 0.50 -0.51 0.00 0.00 176.95 177.28 1qjs s ARG 257 N 1.60 4.56 -0.24 4.98 3.52 -1.26 -2.08 118.95 130.03 1qjs s ARG 257 Ca 0.03 1.14 -0.11 0.00 -0.13 0.00 0.00 55.73 56.66 1qjs s ARG 257 Cb -0.13 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 1qjs s ARG 257 CO -0.07 0.50 -0.30 1.28 -0.81 0.00 0.00 175.30 175.90 1qjs n LEU 258 N 1.88 1.70 0.02 -0.88 4.77 0.15 -4.60 117.00 120.05 1qjs n LEU 258 Ca -0.05 0.28 0.21 0.00 -0.03 0.00 0.00 56.01 56.42 1qjs n LEU 258 Cb 0.49 -0.70 0.60 0.00 -2.33 0.00 0.00 43.42 41.48 1qjs n LEU 258 CO 0.46 0.50 1.19 -2.24 -1.33 0.00 0.00 177.39 175.98 1qjs h ASP 259 N -0.82 0.00 -0.32 -1.43 2.03 -1.87 0.24 116.42 114.24 1qjs h ASP 259 Ca -0.60 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.70 1qjs h ASP 259 Cb 1.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 1qjs h ASP 259 CO -0.36 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.20 1qjs n THR 260 N -3.37 0.91 0.00 1.15 -2.24 -1.26 -4.61 114.28 104.85 1qjs n THR 260 Ca 0.12 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1qjs n THR 260 Cb 0.95 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.43 0.00 0.05 3.42 6.94 0.83 -1.02 115.26 125.91 1qjs n ASN 261 Ca 0.13 0.26 -0.05 0.00 -0.02 0.00 0.00 54.58 54.90 1qjs n ASN 261 Cb 0.51 -0.26 -0.10 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 -3.21 114.38 115.12 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 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1qjs h ARG 262 CO 0.00 0.75 -0.07 -0.25 2.80 0.00 0.00 179.97 183.20 1qjs n ASP 263 N -3.23 0.32 0.00 -3.80 8.00 -0.19 -3.84 116.55 113.81 1qjs n ASP 263 Ca -0.04 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1qjs n ASP 263 Cb 0.92 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 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 1.25 0.26 3.20 0.44 0.00 -1.21 -4.92 105.19 104.21 1qjs n GLY 264 Ca 0.15 -2.31 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.19 1.44 -0.30 1.61 0.52 -1.26 -4.46 118.94 116.30 1qjs s TRP 265 Ca 0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.56 1qjs s TRP 265 Cb 0.00 -0.83 0.22 0.00 -1.15 0.00 0.00 33.47 31.71 1qjs s TRP 265 CO 0.00 0.09 1.30 -1.58 0.02 0.00 0.00 176.95 176.78 1qjs s HIS 266 N -1.02 -0.01 0.55 -1.98 2.46 -1.26 -5.17 115.29 108.86 1qjs s HIS 266 Ca 0.03 0.02 -0.13 0.00 0.47 0.00 0.00 55.06 55.45 1qjs s HIS 266 Cb -0.09 0.02 -0.06 0.00 -0.13 0.00 0.00 32.58 32.32 1qjs s HIS 266 CO 0.02 -0.00 0.97 -1.12 -2.47 0.00 0.00 174.74 172.14 1qjs s SER 267 N 0.97 6.42 0.01 9.88 0.01 -1.26 -4.56 113.70 125.17 1qjs s SER 267 Ca -0.08 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.51 1qjs s SER 267 Cb -0.02 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1qjs s SER 267 CO -0.09 -0.69 0.17 0.26 0.41 0.00 0.00 173.24 173.30 1qjs s TRP 268 N -2.85 0.02 0.64 2.43 0.23 -1.04 -4.89 118.94 113.48 1qjs s TRP 268 Ca 0.56 -0.12 -0.15 0.00 -2.03 0.00 0.00 56.10 54.35 1qjs s TRP 268 Cb -0.10 -0.03 -0.01 0.00 0.03 0.00 0.00 33.47 33.35 1qjs s TRP 268 CO 0.42 -0.34 1.10 -2.14 0.96 0.00 0.00 176.95 176.95 1qjs s PRO 269 N -1.69 2.95 0.27 4.98 0.02 -1.26 -0.49 135.00 139.79 1qjs s PRO 269 Ca -0.12 1.36 -0.03 0.00 0.02 0.00 0.00 61.00 62.23 1qjs s PRO 269 Cb -0.06 -1.97 0.34 0.00 0.02 0.00 0.00 34.50 32.84 1qjs s PRO 269 CO 0.01 -1.12 1.85 0.82 -0.33 0.00 0.00 177.00 178.22 1qjs h ILE 270 N 0.20 1.23 -0.07 2.83 2.04 -1.61 -2.31 117.51 119.82 1qjs h ILE 270 Ca -0.47 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 64.71 1qjs h ILE 270 Cb 1.24 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1qjs h ILE 270 CO 0.55 0.29 0.12 0.00 0.00 0.00 0.00 178.15 179.10 1qjs h ALA 271 N 1.33 1.48 -0.40 1.87 0.00 -1.83 0.11 119.26 121.83 1qjs h ALA 271 Ca 0.24 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1qjs h ALA 271 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qjs h ALA 271 CO -0.03 -0.15 -0.28 0.45 0.00 0.00 0.00 179.25 179.24 1qjs h HIS 272 N 0.00 1.06 0.00 0.00 3.86 -1.78 -3.23 115.15 115.06 1qjs h HIS 272 Ca 0.03 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1qjs h HIS 272 Cb 0.27 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1qjs h HIS 272 CO 0.00 1.09 -1.84 0.94 0.86 0.00 0.00 177.93 178.98 1qjs n GLN 273 N -4.14 0.60 -3.80 2.45 -0.06 -1.03 -4.70 117.38 106.69 1qjs n GLN 273 Ca -0.02 -0.15 -0.29 0.00 -2.00 0.00 0.00 57.00 54.55 1qjs n GLN 273 Cb 0.48 -1.42 -0.12 0.00 -4.06 0.00 0.00 30.24 25.12 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 -3.17 2.77 0.05 3.69 0.51 0.36 -4.32 118.94 118.84 1qjs s TRP 274 Ca -0.07 -2.95 -0.10 0.00 -2.12 0.00 0.00 56.10 50.86 1qjs s TRP 274 Cb 0.11 -2.29 -0.02 0.00 -0.81 0.00 0.00 33.47 30.45 1qjs s TRP 274 CO 0.73 -0.68 1.00 -0.35 -0.51 0.00 0.00 176.95 177.14 1qjs n PRO 275 N 2.71 -0.15 -1.00 4.98 -0.04 -1.22 -2.38 135.00 137.91 1qjs n PRO 275 Ca 0.15 0.99 -0.10 0.00 -0.04 0.00 0.00 63.50 64.50 1qjs n PRO 275 Cb 0.36 -1.47 0.24 0.00 -0.04 0.00 0.00 33.50 32.58 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 -3.73 2.73 -1.06 0.54 6.02 -1.26 -4.88 117.38 115.74 1qjs n GLN 276 Ca 0.01 -3.07 -0.08 0.00 -0.01 0.00 0.00 57.00 53.85 1qjs n GLN 276 Cb 0.09 -2.08 0.05 0.00 1.02 0.00 0.00 30.24 29.31 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 -0.74 0.10 3.70 1.08 0.00 -1.00 -4.96 105.19 103.36 1qjs n GLY 277 Ca 0.44 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.50 0.70 0.11 1.61 0.04 -1.26 -4.95 135.00 127.74 1qjs s PRO 278 Ca 0.23 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 61.81 1qjs s PRO 278 Cb -0.01 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.60 1qjs s PRO 278 CO 0.16 -2.56 1.24 0.66 0.04 0.00 0.00 177.00 176.53 1qjs h SER 279 N -1.77 0.46 -5.24 6.66 4.64 -1.97 -3.43 113.55 112.90 1qjs h SER 279 Ca -0.53 -0.42 -0.29 0.00 -0.47 0.00 0.00 61.79 60.08 1qjs h SER 279 Cb 1.32 -0.14 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1qjs h SER 279 CO 0.57 1.26 -0.61 0.42 -0.87 0.00 0.00 176.83 177.61 1qjs s THR 280 N -2.99 0.18 -0.05 2.95 -4.23 -1.26 -4.10 115.64 106.14 1qjs s THR 280 Ca -0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1qjs s THR 280 Cb 0.08 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.42 1qjs s THR 280 CO 0.87 0.00 0.10 -0.69 -0.54 0.00 0.00 174.62 174.36 1qjs s VAL 281 N -3.97 -0.14 -0.11 2.29 1.01 -1.26 -4.70 120.40 113.52 1qjs s VAL 281 Ca 0.39 0.34 0.16 0.00 0.00 0.00 0.00 61.98 62.86 1qjs s VAL 281 Cb 0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 36.38 36.06 1qjs s VAL 281 CO 0.14 0.14 0.63 0.47 0.00 0.00 0.00 175.10 176.47 1qjs n ASP 282 N 4.96 0.67 -3.49 3.32 8.00 -0.32 -4.30 116.55 125.40 1qjs n ASP 282 Ca -0.11 0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.58 1qjs n ASP 282 Cb 0.50 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.79 -1.39 -0.14 2.24 0.00 -1.09 -4.16 121.76 114.42 1qjs s ALA 283 Ca -0.05 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1qjs s ALA 283 Cb 0.08 0.83 0.11 0.00 0.00 0.00 0.00 23.12 24.15 1qjs s ALA 283 CO 0.82 -0.74 0.93 0.00 0.00 0.00 0.00 175.76 176.78 1qjs s ALA 284 N -3.77 -1.90 0.24 0.00 0.00 -1.26 -1.32 121.76 113.75 1qjs s ALA 284 Ca 0.02 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.30 1qjs s ALA 284 Cb -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1qjs s ALA 284 CO -0.12 -0.32 0.65 -0.59 0.00 0.00 0.00 175.76 175.38 1qjs s PHE 285 N -1.12 -0.24 0.01 0.00 -0.12 -1.02 -4.46 117.98 111.03 1qjs s PHE 285 Ca -0.04 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 56.73 1qjs s PHE 285 Cb -0.00 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1qjs s PHE 285 CO 0.03 -1.09 -0.11 -1.54 -0.05 0.00 0.00 175.22 172.47 1qjs s SER 286 N -2.88 1.25 -0.08 1.98 1.04 -1.26 -1.32 113.70 112.42 1qjs s SER 286 Ca 0.09 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 1qjs s SER 286 Cb -0.04 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1qjs s SER 286 CO 0.01 0.06 0.20 0.86 0.98 0.00 0.00 173.24 175.35 1qjs s TRP 287 N -0.52 -0.24 0.00 5.02 -0.00 -0.89 -4.69 118.94 117.62 1qjs s TRP 287 Ca 0.02 0.62 0.00 0.00 -0.00 0.00 0.00 56.10 56.74 1qjs s TRP 287 Cb -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 1qjs s TRP 287 CO 0.00 -0.19 0.00 0.39 -0.00 0.00 0.00 176.95 177.15 1qjs n GLU 288 N 4.06 0.00 -0.97 5.86 1.02 -1.26 -2.30 120.64 127.05 1qjs n GLU 288 Ca -0.24 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.82 1qjs n GLU 288 Cb 0.53 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.21 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 5.23 4.07 -4.27 1.62 5.75 -1.26 -4.84 116.55 122.85 1qjs n ASP 289 Ca 0.00 -3.39 -0.21 0.00 -0.01 0.00 0.00 54.79 51.18 1qjs n ASP 289 Cb 0.00 -0.73 -0.12 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 -3.09 1.10 -0.12 0.11 1.02 -0.97 -2.89 119.74 114.89 1qjs s LYS 290 Ca 0.52 -1.23 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 1qjs s LYS 290 Cb 0.43 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 1qjs s LYS 290 CO 0.10 0.25 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.21 1qjs s LEU 291 N -2.24 3.12 -0.22 3.17 1.43 -0.71 -2.09 118.68 121.14 1qjs s LEU 291 Ca 0.09 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1qjs s LEU 291 Cb -0.07 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1qjs s LEU 291 CO 0.04 0.23 0.04 -0.31 0.23 0.00 0.00 176.35 176.59 1qjs s TYR 292 N 0.00 3.10 -0.10 0.29 1.51 -0.43 -1.42 117.35 120.30 1qjs s TYR 292 Ca -0.01 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1qjs s TYR 292 Cb -0.14 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1qjs s TYR 292 CO 0.03 -0.22 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.61 1qjs s LEU 293 N 1.16 2.71 -0.09 -1.29 1.43 -0.32 -2.45 118.68 119.83 1qjs s LEU 293 Ca 0.04 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1qjs s LEU 293 Cb -0.14 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1qjs s LEU 293 CO 0.03 0.22 -0.22 -0.63 0.23 0.00 0.00 176.35 175.98 1qjs s ILE 294 N 0.00 1.90 -0.08 -0.59 1.01 -0.43 0.27 121.20 123.29 1qjs s ILE 294 Ca -0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.68 1qjs s ILE 294 Cb -0.14 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1qjs s ILE 294 CO 0.04 0.53 -0.04 -1.58 0.00 0.00 0.00 174.94 173.89 1qjs s GLN 295 N 0.38 1.03 0.00 2.79 0.74 -0.60 -1.17 119.66 122.83 1qjs s GLN 295 Ca -0.18 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1qjs s GLN 295 Cb -0.18 -1.19 0.00 0.00 1.10 0.00 0.00 33.01 32.74 1qjs s GLN 295 CO 0.08 -0.23 0.00 -0.40 -0.55 0.00 0.00 175.29 174.19 1qjs n ASP 296 N 4.80 0.00 0.00 6.67 5.68 -1.26 -0.06 116.55 132.38 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 -3.71 2.12 -1.04 -1.26 -3.78 114.28 106.75 1qjs n THR 297 Ca 0.00 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.05 61.43 1qjs n THR 297 Cb 0.00 1.28 -0.10 0.00 -1.82 0.00 0.00 70.33 69.68 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 3.97 -0.17 -2.82 1.02 0.92 0.15 119.74 122.66 1qjs s LYS 298 Ca 0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 55.97 55.60 1qjs s LYS 298 Cb 0.00 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1qjs s LYS 298 CO 0.00 0.01 0.07 0.08 -0.92 0.00 0.00 175.35 174.58 1qjs s VAL 299 N 1.18 4.85 0.02 3.17 1.01 0.40 -1.56 120.40 129.47 1qjs s VAL 299 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1qjs s VAL 299 Cb -0.14 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1qjs s VAL 299 CO 0.05 0.49 -0.18 -0.31 0.00 0.00 0.00 175.10 175.15 1qjs s TYR 300 N 0.07 2.56 -0.06 5.22 1.51 0.14 -1.71 117.35 125.08 1qjs s TYR 300 Ca 0.06 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1qjs s TYR 300 Cb -0.12 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1qjs s TYR 300 CO 0.01 0.22 -0.15 0.08 -1.11 0.00 0.00 175.55 174.60 1qjs s VAL 301 N -0.87 1.29 0.10 0.71 1.01 -1.26 -1.17 120.40 120.21 1qjs s VAL 301 Ca 0.14 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1qjs s VAL 301 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1qjs s VAL 301 CO 0.04 0.39 -0.24 -0.36 0.00 0.00 0.00 175.10 174.93 1qjs s PHE 302 N 0.44 2.03 0.14 5.22 0.40 -0.50 -0.37 117.98 125.34 1qjs s PHE 302 Ca -0.12 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1qjs s PHE 302 Cb -0.15 -1.12 -0.06 0.00 0.51 0.00 0.00 43.02 42.20 1qjs s PHE 302 CO 0.04 0.24 0.48 -0.51 0.70 0.00 0.00 175.22 176.17 1qjs s LEU 303 N -1.86 4.29 -0.37 -0.37 1.43 -0.11 -1.75 118.68 119.95 1qjs s LEU 303 Ca 0.10 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1qjs s LEU 303 Cb -0.10 -3.28 0.51 0.00 0.03 0.00 0.00 46.19 43.36 1qjs s LEU 303 CO 0.05 0.08 1.57 0.35 0.23 0.00 0.00 176.35 178.62 1qjs n THR 304 N 0.53 2.81 0.00 5.49 -2.24 -1.14 -2.29 114.28 117.44 1qjs n THR 304 Ca -0.04 -2.91 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1qjs n THR 304 Cb 0.52 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.03 0.00 -3.61 -0.78 4.01 -1.26 -4.52 118.16 110.96 1qjs n LYS 305 Ca 0.43 0.25 -0.27 0.00 -0.51 0.00 0.00 58.31 58.21 1qjs n LYS 305 Cb 1.06 -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 -0.17 3.43 2.76 0.72 0.00 -1.26 -4.35 105.19 106.32 1qjs n GLY 306 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 2.04 -1.78 3.44 -0.02 0.00 -0.84 -4.89 105.19 103.14 1qjs n GLY 307 Ca 0.25 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 2.89 -0.08 1.61 2.02 -1.26 -4.15 117.35 118.39 1qjs s TYR 308 Ca 0.00 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1qjs s TYR 308 Cb 0.00 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1qjs s TYR 308 CO 0.00 -0.07 -0.18 0.99 -1.57 0.00 0.00 175.55 174.72 1qjs s THR 309 N 0.18 1.56 0.17 -0.71 2.01 -0.97 -4.65 115.64 113.22 1qjs s THR 309 Ca -0.05 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.91 1qjs s THR 309 Cb -0.15 -1.37 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1qjs s THR 309 CO 0.04 0.45 1.47 -0.22 -0.69 0.00 0.00 174.62 175.67 1qjs s LEU 310 N 0.49 4.38 0.61 4.42 2.96 -1.26 -0.93 118.68 129.34 1qjs s LEU 310 Ca -0.16 2.52 -0.16 0.00 -0.22 0.00 0.00 54.13 56.11 1qjs s LEU 310 Cb -0.17 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1qjs s LEU 310 CO 0.06 -0.73 1.09 -0.69 -1.32 0.00 0.00 176.35 174.76 1qjs s VAL 311 N 0.85 3.46 -0.15 1.68 1.01 0.50 -4.89 120.40 122.86 1qjs s VAL 311 Ca 0.65 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1qjs s VAL 311 Cb -0.41 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1qjs s VAL 311 CO 0.34 -0.37 1.00 0.21 0.00 0.00 0.00 175.10 176.28 1qjs s ASN 312 N -2.48 7.17 0.00 3.32 2.47 -1.26 -3.17 114.94 120.99 1qjs s ASN 312 Ca 0.67 1.45 0.00 0.00 0.42 0.00 0.00 52.86 55.39 1qjs s ASN 312 Cb -0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1qjs s ASN 312 CO 0.36 -0.51 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 1qjs n GLY 313 N 3.20 1.23 3.93 1.21 0.00 -1.26 -5.13 105.19 108.36 1qjs n GLY 313 Ca 0.09 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 -1.45 3.48 0.43 1.61 1.51 -1.19 -4.31 117.35 117.44 1qjs s TYR 314 Ca 0.00 0.33 -0.22 0.00 -1.01 0.00 0.00 57.07 56.17 1qjs s TYR 314 Cb 0.00 -1.84 -0.10 0.00 -0.11 0.00 0.00 41.96 39.92 1qjs s TYR 314 CO 0.00 0.41 1.00 -1.25 -1.11 0.00 0.00 175.55 174.60 1qjs s PRO 315 N -3.22 4.09 0.20 -1.71 0.04 -1.26 -4.98 135.00 128.16 1qjs s PRO 315 Ca 0.38 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.83 1qjs s PRO 315 Cb -0.11 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1qjs s PRO 315 CO 0.29 -0.18 -0.11 0.15 0.04 0.00 0.00 177.00 177.19 1qjs s LYS 316 N -2.96 1.98 0.37 4.56 1.02 -0.70 -4.88 119.74 119.13 1qjs s LYS 316 Ca 0.62 -1.36 -0.27 0.00 0.02 0.00 0.00 55.97 54.98 1qjs s LYS 316 Cb -0.15 -2.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1qjs s LYS 316 CO 0.20 0.41 1.22 1.03 -0.92 0.00 0.00 175.35 177.29 1qjs s ARG 317 N -2.96 4.19 0.11 1.68 1.81 -1.26 -0.45 118.95 122.07 1qjs s ARG 317 Ca 0.25 2.00 -0.22 0.00 -1.72 0.00 0.00 55.73 56.04 1qjs s ARG 317 Cb -0.08 -2.86 -0.10 0.00 -0.45 0.00 0.00 34.95 31.46 1qjs s ARG 317 CO 0.15 -0.25 1.71 1.25 -0.68 0.00 0.00 175.30 177.48 1qjs h LEU 318 N 3.00 -0.16 -0.84 2.53 5.85 -0.65 0.20 115.31 125.24 1qjs h LEU 318 Ca -0.49 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.43 1qjs h LEU 318 Cb 1.23 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 42.18 1qjs h LEU 318 CO 0.64 -0.07 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.37 1qjs h GLU 319 N -0.07 -0.00 0.00 1.25 4.57 -1.82 0.52 114.58 119.03 1qjs h GLU 319 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1qjs h GLU 319 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1qjs h GLU 319 CO -0.09 -0.00 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.44 1qjs h LYS 320 N -0.00 0.00 0.00 1.92 3.64 -1.70 -2.17 116.57 118.26 1qjs h LYS 320 Ca 0.40 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.57 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 -0.87 0.09 -1.63 -1.91 -2.27 0.00 0.00 179.45 172.86 1qjs n GLU 321 N -3.15 0.44 0.00 1.90 4.07 0.83 -4.64 120.64 120.09 1qjs n GLU 321 Ca 0.02 0.19 0.09 0.00 -0.06 0.00 0.00 57.16 57.40 1qjs n GLU 321 Cb 0.46 -1.25 0.05 0.00 -0.06 0.00 0.00 31.44 30.64 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 -4.09 2.33 0.00 4.31 4.77 0.15 -3.04 117.00 121.44 1qjs n LEU 322 Ca -0.30 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1qjs n LEU 322 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 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 1.14 -1.80 3.18 -0.72 0.00 -0.82 -4.56 105.19 101.62 1qjs n GLY 323 Ca 0.10 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.28 0.50 1.61 0.15 -1.26 -3.95 113.70 106.47 1qjs s SER 324 Ca 0.00 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 56.93 1qjs s SER 324 Cb 0.00 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1qjs s SER 324 CO 0.00 -0.15 1.32 -2.16 1.20 0.00 0.00 173.24 173.45 1qjs s PRO 325 N -0.05 3.43 0.00 5.44 0.04 -1.26 -4.68 135.00 137.92 1qjs s PRO 325 Ca -0.02 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1qjs s PRO 325 Cb -0.03 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1qjs s PRO 325 CO 0.01 -0.93 0.28 -0.35 0.04 0.00 0.00 177.00 176.05 1qjs n PRO 326 N -0.69 0.38 0.00 0.56 -0.04 -1.26 -3.80 135.00 130.15 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 32.67 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 0.54 0.00 -3.88 0.52 0.24 -1.26 -5.12 118.33 109.37 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 0.14 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.29 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 -1.62 4.77 -0.34 1.34 1.09 -1.25 -5.08 121.20 120.12 1qjs s ILE 328 Ca 0.00 -1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 58.46 1qjs s ILE 328 Cb 0.00 -3.65 0.08 0.00 -1.06 0.00 0.00 42.46 37.83 1qjs s ILE 328 CO 0.00 -0.29 0.07 -0.44 -0.10 0.00 0.00 174.94 174.18 1qjs s SER 329 N -4.00 4.98 0.08 3.58 0.01 -1.26 -4.37 113.70 112.72 1qjs s SER 329 Ca 0.37 -1.64 -0.30 0.00 1.31 0.00 0.00 55.95 55.68 1qjs s SER 329 Cb -0.09 -1.73 -0.06 0.00 0.21 0.00 0.00 66.02 64.35 1qjs s SER 329 CO 0.29 -0.36 1.15 -0.76 0.41 0.00 0.00 173.24 173.96 1qjs s LEU 330 N 1.16 4.40 -0.01 2.44 1.43 -1.26 -4.94 118.68 121.90 1qjs s LEU 330 Ca 0.01 1.99 0.10 0.00 -1.03 0.00 0.00 54.13 55.19 1qjs s LEU 330 Cb -0.21 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.28 1qjs s LEU 330 CO -0.03 -0.38 0.22 -0.62 0.23 0.00 0.00 176.35 175.76 1qjs n GLU 331 N 3.54 0.43 -3.53 1.70 -0.58 -1.26 -4.98 120.64 115.95 1qjs n GLU 331 Ca 0.07 -0.08 -0.10 0.00 -0.42 0.00 0.00 57.16 56.63 1qjs n GLU 331 Cb 0.47 -1.22 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 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 -2.63 -1.60 0.21 0.62 0.00 -1.25 -4.13 121.76 112.98 1qjs s ALA 332 Ca -0.03 0.47 0.09 0.00 0.00 0.00 0.00 51.96 52.48 1qjs s ALA 332 Cb 0.06 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1qjs s ALA 332 CO 0.40 -0.81 -0.17 0.08 0.00 0.00 0.00 175.76 175.25 1qjs s VAL 333 N -3.59 1.97 -0.21 0.00 1.01 -1.26 -4.92 120.40 113.39 1qjs s VAL 333 Ca 0.04 -2.16 -0.03 0.00 0.00 0.00 0.00 61.98 59.83 1qjs s VAL 333 Cb -0.02 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.20 1qjs s VAL 333 CO -0.08 -0.44 -0.22 0.47 0.00 0.00 0.00 175.10 174.83 1qjs n ASP 334 N -0.20 2.07 -3.95 3.32 8.00 -0.10 -4.70 116.55 120.99 1qjs n ASP 334 Ca -0.09 0.04 -0.10 0.00 0.71 0.00 0.00 54.79 55.35 1qjs n ASP 334 Cb 0.59 -0.44 -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 -2.40 -0.09 -0.18 2.24 0.00 -1.17 -4.09 121.76 116.07 1qjs s ALA 335 Ca -0.28 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1qjs s ALA 335 Cb 0.09 1.09 0.11 0.00 0.00 0.00 0.00 23.12 24.41 1qjs s ALA 335 CO 0.43 -0.84 0.95 0.00 0.00 0.00 0.00 175.76 176.30 1qjs s ALA 336 N -3.94 -1.91 0.07 0.00 0.00 -1.26 -1.88 121.76 112.85 1qjs s ALA 336 Ca 0.24 1.63 -0.24 0.00 0.00 0.00 0.00 51.96 53.59 1qjs s ALA 336 Cb -0.00 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.38 1qjs s ALA 336 CO 0.10 -0.30 0.58 -0.59 0.00 0.00 0.00 175.76 175.55 1qjs s PHE 337 N -0.74 -0.51 -0.15 0.00 -0.12 -0.42 -4.45 117.98 111.59 1qjs s PHE 337 Ca -0.02 0.53 -0.04 0.00 -0.05 0.00 0.00 56.93 57.35 1qjs s PHE 337 Cb -0.02 0.44 0.07 0.00 -0.63 0.00 0.00 43.02 42.88 1qjs s PHE 337 CO 0.01 -0.72 0.18 0.08 -0.05 0.00 0.00 175.22 174.72 1qjs s VAL 338 N -2.76 -0.27 0.61 -2.49 1.01 -1.26 -1.39 120.40 113.84 1qjs s VAL 338 Ca -0.04 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1qjs s VAL 338 Cb -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1qjs s VAL 338 CO -0.04 -0.06 1.09 0.00 0.00 0.00 0.00 175.10 176.09 1qjs n PRO 340 N -2.02 0.61 -0.62 0.00 -0.02 -1.26 -1.38 135.00 130.31 1qjs n PRO 340 Ca 0.10 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1qjs n PRO 340 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.90 0.68 3.95 -1.23 0.00 -1.26 -4.99 105.19 104.24 1qjs n GLY 341 Ca 0.17 0.00 -0.23 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 -2.60 6.33 0.00 1.61 0.15 -0.48 -5.01 113.70 113.70 1qjs s SER 342 Ca 0.00 0.23 0.15 0.00 0.70 0.00 0.00 55.95 57.04 1qjs s SER 342 Cb 0.00 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1qjs s SER 342 CO 0.00 -0.11 0.79 -1.54 1.20 0.00 0.00 173.24 173.58 1qjs n SER 343 N -1.28 1.38 -4.61 5.45 3.41 -1.26 -4.78 113.62 111.93 1qjs n SER 343 Ca -0.07 -1.19 -0.43 0.00 -0.26 0.00 0.00 58.87 56.92 1qjs n SER 343 Cb 0.56 0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 65.09 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 -2.00 3.76 -0.11 4.33 0.52 -1.26 -1.39 118.95 122.80 1qjs s ARG 344 Ca 0.11 0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 55.74 1qjs s ARG 344 Cb 0.12 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.68 1qjs s ARG 344 CO 0.45 -1.33 0.80 -1.17 0.02 0.00 0.00 175.30 174.07 1qjs s LEU 345 N 4.42 4.25 -0.22 2.53 2.96 0.17 -4.57 118.68 128.21 1qjs s LEU 345 Ca 0.49 1.24 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 1qjs s LEU 345 Cb -0.08 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1qjs s LEU 345 CO 0.30 -0.28 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.04 1qjs s HIS 346 N 1.55 3.01 0.01 5.38 3.76 -0.48 -1.43 115.29 127.08 1qjs s HIS 346 Ca 0.40 -0.68 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1qjs s HIS 346 Cb -0.18 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 1qjs s HIS 346 CO 0.16 -0.42 -0.25 -1.50 -0.85 0.00 0.00 174.74 171.88 1qjs s ILE 347 N 1.39 2.00 0.12 0.60 2.07 -0.80 -1.30 121.20 125.27 1qjs s ILE 347 Ca 0.05 -1.18 0.08 0.00 -1.41 0.00 0.00 60.65 58.19 1qjs s ILE 347 Cb -0.15 -1.68 -0.04 0.00 0.13 0.00 0.00 42.46 40.73 1qjs s ILE 347 CO -0.00 0.47 -0.21 -0.04 -1.91 0.00 0.00 174.94 173.25 1qjs s MET 348 N -0.84 1.17 -0.21 3.50 -1.94 -0.78 -1.90 119.30 118.29 1qjs s MET 348 Ca 0.10 -1.22 -0.07 0.00 -1.71 0.00 0.00 55.69 52.79 1qjs s MET 348 Cb -0.10 -1.39 0.10 0.00 2.01 0.00 0.00 34.83 35.45 1qjs s MET 348 CO 0.00 0.32 0.45 0.00 -0.01 0.00 0.00 175.02 175.78 1qjs s ALA 349 N -1.36 -1.28 0.00 3.03 0.00 -0.69 -0.93 121.76 120.54 1qjs s ALA 349 Ca 0.09 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1qjs s ALA 349 Cb -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1qjs s ALA 349 CO 0.05 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1qjs n GLY 350 N 5.40 2.44 1.48 0.00 0.00 -1.26 -1.69 105.19 111.56 1qjs n GLY 350 Ca -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 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 13.50 3.05 -5.17 1.61 1.85 -1.04 -4.26 116.66 126.20 1qjs n ARG 351 Ca 0.00 -1.97 -0.31 0.00 -1.00 0.00 0.00 57.85 54.57 1qjs n ARG 351 Cb 0.00 -1.93 -0.15 0.00 -1.05 0.00 0.00 32.46 29.33 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 -2.10 2.18 -0.02 2.89 1.81 -0.68 -4.88 118.95 118.14 1qjs s ARG 352 Ca 0.35 -0.89 0.08 0.00 -1.72 0.00 0.00 55.73 53.55 1qjs s ARG 352 Cb 0.27 -2.12 -0.02 0.00 -0.45 0.00 0.00 34.95 32.64 1qjs s ARG 352 CO 0.09 0.57 -0.25 -1.17 -0.68 0.00 0.00 175.30 173.86 1qjs s LEU 353 N -0.71 2.05 0.13 2.53 2.96 -1.26 -1.70 118.68 122.68 1qjs s LEU 353 Ca 0.11 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1qjs s LEU 353 Cb -0.10 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1qjs s LEU 353 CO -0.00 0.31 -0.02 0.26 -1.32 0.00 0.00 176.35 175.58 1qjs s TRP 354 N -0.60 0.98 -0.02 5.38 0.51 -0.80 -1.79 118.94 122.62 1qjs s TRP 354 Ca 0.10 -1.00 0.00 0.00 -2.12 0.00 0.00 56.10 53.08 1qjs s TRP 354 Cb -0.10 -0.57 0.02 0.00 -0.81 0.00 0.00 33.47 32.01 1qjs s TRP 354 CO -0.01 -0.23 0.01 1.67 -0.51 0.00 0.00 176.95 177.88 1qjs s TRP 355 N -3.70 0.12 0.09 -1.98 1.48 -0.75 -1.90 118.94 112.29 1qjs s TRP 355 Ca 0.17 0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 55.25 1qjs s TRP 355 Cb 0.06 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 32.12 1qjs s TRP 355 CO -0.01 -0.07 0.02 -0.48 -4.06 0.00 0.00 176.95 172.36 1qjs s LEU 356 N 0.67 2.08 -0.16 -4.66 0.05 -0.51 -1.56 118.68 114.58 1qjs s LEU 356 Ca -0.06 -1.09 -0.08 0.00 0.05 0.00 0.00 54.13 52.94 1qjs s LEU 356 Cb -0.09 0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 44.30 1qjs s LEU 356 CO -0.02 -0.67 0.13 -0.62 -0.55 0.00 0.00 176.35 174.62 1qjs s ASP 357 N -2.98 6.24 0.28 1.48 -1.08 -1.26 0.44 116.67 119.79 1qjs s ASP 357 Ca 0.16 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.78 1qjs s ASP 357 Cb 0.08 -2.06 0.77 0.00 -1.46 0.00 0.00 42.92 40.25 1qjs s ASP 357 CO -0.04 0.29 1.75 -0.07 0.52 0.00 0.00 175.17 177.62 1qjs h LEU 358 N 5.84 0.00 -0.38 -1.34 3.38 -1.59 -3.21 115.31 118.00 1qjs h LEU 358 Ca -0.48 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 1qjs h LEU 358 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1qjs h LEU 358 CO 0.67 0.00 -0.48 0.11 0.09 0.00 0.00 178.44 178.82 1qjs h LYS 359 N 0.00 0.00 0.00 1.13 1.57 -1.94 -2.89 116.57 114.44 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 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1qjs h LYS 359 CO 0.00 0.48 0.00 0.43 -0.57 0.00 0.00 179.45 179.79 1qjs n SER 360 N -3.35 0.12 0.00 0.86 7.64 -1.21 -4.98 113.62 112.70 1qjs n SER 360 Ca 0.01 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1qjs n SER 360 Cb 0.66 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.93 3.16 0.00 0.23 0.00 -1.09 -1.45 105.19 106.97 1qjs n GLY 361 Ca 0.05 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 9.93 2.34 -0.57 4.61 0.00 -1.17 -2.33 120.51 133.32 1qjs n ALA 362 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.30 1qjs n ALA 362 Cb 0.00 -1.40 0.28 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.11 3.61 -2.49 0.00 3.00 -0.53 -4.45 117.38 115.41 1qjs n GLN 363 Ca 0.16 -2.48 -0.37 0.00 -0.01 0.00 0.00 57.00 54.30 1qjs n GLN 363 Cb 0.13 -2.07 -0.04 0.00 0.00 0.00 0.00 30.24 28.26 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 -2.46 3.08 -0.35 -1.58 0.00 -0.98 -4.95 121.76 114.52 1qjs s ALA 364 Ca 0.44 0.75 -0.05 0.00 0.00 0.00 0.00 51.96 53.10 1qjs s ALA 364 Cb 0.34 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1qjs s ALA 364 CO 0.12 -0.28 0.11 0.99 0.00 0.00 0.00 175.76 176.69 1qjs s THR 365 N -1.62 3.57 -0.15 0.00 2.01 -1.26 -4.68 115.64 113.51 1qjs s THR 365 Ca 0.58 -1.36 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1qjs s THR 365 Cb -0.23 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1qjs s THR 365 CO 0.29 -0.27 1.33 0.26 -0.69 0.00 0.00 174.62 175.54 1qjs s TRP 366 N 1.33 2.69 -0.22 4.92 0.52 -1.26 -4.55 118.94 122.36 1qjs s TRP 366 Ca -0.01 0.86 -0.11 0.00 0.02 0.00 0.00 56.10 56.87 1qjs s TRP 366 Cb -0.20 -3.58 -0.05 0.00 -1.15 0.00 0.00 33.47 28.49 1qjs s TRP 366 CO 0.01 -2.09 0.17 0.99 0.02 0.00 0.00 176.95 176.05 1qjs s THR 367 N 3.60 5.37 0.20 2.01 2.01 -0.60 -4.72 115.64 123.50 1qjs s THR 367 Ca 0.58 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 1qjs s THR 367 Cb -0.24 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 1qjs s THR 367 CO 0.17 0.37 0.96 -0.70 -0.69 0.00 0.00 174.62 174.73 1qjs s GLU 368 N 0.83 4.80 0.15 4.92 2.12 -1.26 -1.81 118.70 128.45 1qjs s GLU 368 Ca 0.09 1.50 0.07 0.00 0.36 0.00 0.00 54.97 56.98 1qjs s GLU 368 Cb -0.13 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1qjs s GLU 368 CO 0.03 0.41 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.49 1qjs s LEU 369 N -0.84 2.44 0.45 2.70 1.43 -0.74 -4.98 118.68 119.15 1qjs s LEU 369 Ca 0.43 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1qjs s LEU 369 Cb -0.26 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1qjs s LEU 369 CO 0.32 -0.10 0.80 -2.16 0.23 0.00 0.00 176.35 175.44 1qjs s PRO 370 N -2.87 3.68 -0.16 1.29 0.04 -1.26 -4.32 135.00 131.40 1qjs s PRO 370 Ca 0.14 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 1qjs s PRO 370 Cb -0.05 -2.36 0.13 0.00 0.04 0.00 0.00 34.50 32.27 1qjs s PRO 370 CO 0.05 -0.15 1.00 1.67 0.04 0.00 0.00 177.00 179.61 1qjs s TRP 371 N -2.58 -0.37 -2.08 0.56 1.48 -1.26 -4.00 118.94 110.69 1qjs s TRP 371 Ca 0.50 0.64 0.15 0.00 -1.06 0.00 0.00 56.10 56.33 1qjs s TRP 371 Cb -0.10 0.45 0.74 0.00 -1.16 0.00 0.00 33.47 33.39 1qjs s TRP 371 CO 0.38 -0.34 1.50 -0.35 -4.06 0.00 0.00 176.95 174.08 1qjs n PRO 372 N 0.75 1.29 -3.48 3.25 -0.04 -1.26 -4.91 135.00 130.60 1qjs n PRO 372 Ca -0.10 -0.45 -0.27 0.00 -0.04 0.00 0.00 63.50 62.64 1qjs n PRO 372 Cb 0.58 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.89 3.48 -0.04 0.54 3.76 -1.26 -4.81 115.29 115.08 1qjs s HIS 373 Ca 0.24 0.46 0.05 0.00 -0.15 0.00 0.00 55.06 55.67 1qjs s HIS 373 Cb 0.12 -1.96 -0.08 0.00 1.11 0.00 0.00 32.58 31.77 1qjs s HIS 373 CO 0.19 0.24 0.06 0.39 -0.85 0.00 0.00 174.74 174.77 1qjs n GLU 374 N -1.03 1.91 -3.68 1.40 1.02 -1.26 -4.83 120.64 114.17 1qjs n GLU 374 Ca -0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 1qjs n GLU 374 Cb 0.54 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.25 0.55 0.02 3.49 2.47 -1.26 -2.50 119.74 120.26 1qjs s LYS 375 Ca -0.03 0.86 0.02 0.00 -1.56 0.00 0.00 55.97 55.27 1qjs s LYS 375 Cb 0.03 0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.52 1qjs s LYS 375 CO 0.24 -0.12 -0.06 0.54 0.16 0.00 0.00 175.35 176.10 1qjs s VAL 376 N 1.02 0.44 -0.09 4.02 0.11 -1.26 -4.88 120.40 119.75 1qjs s VAL 376 Ca -0.06 -0.70 0.22 0.00 -2.93 0.00 0.00 61.98 58.51 1qjs s VAL 376 Cb -0.06 -0.46 -0.24 0.00 -1.53 0.00 0.00 36.38 34.10 1qjs s VAL 376 CO -0.09 -0.19 0.65 0.47 -3.33 0.00 0.00 175.10 172.61 1qjs n ASP 377 N 2.09 0.26 -3.70 3.54 8.00 0.27 -4.70 116.55 122.32 1qjs n ASP 377 Ca -0.19 0.10 -0.02 0.00 0.71 0.00 0.00 54.79 55.40 1qjs n ASP 377 Cb 0.56 1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 43.17 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 -4.47 -0.31 -0.03 0.44 0.00 -1.16 -3.95 107.32 97.84 1qjs s GLY 378 Ca -0.06 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.87 1qjs s GLY 378 CO 0.87 0.06 0.37 0.00 0.00 0.00 0.00 173.10 174.40 1qjs s ALA 379 N -2.95 -0.94 -0.05 3.20 0.00 -1.26 -1.92 121.76 117.84 1qjs s ALA 379 Ca 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1qjs s ALA 379 Cb 0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1qjs s ALA 379 CO -0.00 -0.27 0.12 -1.17 0.00 0.00 0.00 175.76 174.44 1qjs s LEU 380 N -1.22 1.08 -0.19 0.00 2.96 0.14 -4.43 118.68 117.01 1qjs s LEU 380 Ca -0.12 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1qjs s LEU 380 Cb -0.04 0.33 0.06 0.00 0.50 0.00 0.00 46.19 47.03 1qjs s LEU 380 CO 0.05 -0.10 0.01 0.00 -1.32 0.00 0.00 176.35 174.99 1qjs s MET 382 N 1.76 1.12 -0.03 0.00 0.23 -1.01 -4.41 119.30 116.97 1qjs s MET 382 Ca -0.01 -0.89 -0.21 0.00 -1.03 0.00 0.00 55.69 53.54 1qjs s MET 382 Cb -0.17 0.44 -0.27 0.00 -1.53 0.00 0.00 34.83 33.30 1qjs s MET 382 CO -0.07 -0.43 0.99 0.93 -2.03 0.00 0.00 175.02 174.40 1qjs h GLU 383 N 2.43 0.33 -7.33 3.16 5.08 -1.92 0.25 114.58 116.57 1qjs h GLU 383 Ca -0.32 -0.44 -0.51 0.00 -1.00 0.00 0.00 59.36 57.09 1qjs h GLU 383 Cb 1.24 0.15 0.09 0.00 0.50 0.00 0.00 28.75 30.73 1qjs h GLU 383 CO 0.46 1.15 0.38 -1.59 -1.00 0.00 0.00 179.01 178.41 1qjs s LYS 384 N -2.81 3.06 0.91 2.33 -2.85 -1.26 -4.51 119.74 114.61 1qjs s LYS 384 Ca -0.14 0.94 -0.11 0.00 -1.00 0.00 0.00 55.97 55.66 1qjs s LYS 384 Cb 0.02 -2.01 0.14 0.00 -2.06 0.00 0.00 37.83 33.92 1qjs s LYS 384 CO 0.82 -1.00 1.10 -1.25 0.10 0.00 0.00 175.35 175.11 1qjs s PRO 385 N -5.02 1.14 -0.22 1.78 0.04 -1.26 -4.82 135.00 126.64 1qjs s PRO 385 Ca 0.58 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 1qjs s PRO 385 Cb -0.14 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1qjs s PRO 385 CO 0.54 -2.39 -0.08 -1.17 0.04 0.00 0.00 177.00 173.94 1qjs s LEU 386 N -6.37 2.85 0.00 -3.56 2.96 -1.26 -4.94 118.68 108.37 1qjs s LEU 386 Ca 0.64 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1qjs s LEU 386 Cb -0.20 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1qjs s LEU 386 CO 0.58 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 176.16 1qjs n GLY 387 N 4.71 -1.82 0.32 7.98 0.00 -1.26 -4.38 105.19 110.74 1qjs n GLY 387 Ca -0.18 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 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 0.91 -6.25 1.61 0.13 -1.95 -3.46 132.00 122.99 1qjs h PRO 388 Ca 0.00 -0.14 -0.56 0.00 -0.87 0.00 0.00 66.00 64.43 1qjs h PRO 388 Cb 0.00 -0.16 -0.09 0.00 0.13 0.00 0.00 31.00 30.88 1qjs h PRO 388 CO 0.00 0.74 -0.63 -0.80 -0.23 0.00 0.00 178.00 177.08 1qjs s ASN 389 N -6.50 4.83 -0.03 1.44 0.01 -1.26 -5.00 114.94 108.43 1qjs s ASN 389 Ca -0.10 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 1qjs s ASN 389 Cb 0.16 -1.02 0.02 0.00 0.41 0.00 0.00 41.25 40.82 1qjs s ASN 389 CO 0.80 0.03 -0.02 -0.94 -1.51 0.00 0.00 177.10 175.45 1qjs s SER 390 N -3.44 0.57 0.00 -1.22 1.04 -1.26 -4.03 113.70 105.36 1qjs s SER 390 Ca 0.30 -0.06 0.31 0.00 0.48 0.00 0.00 55.95 56.98 1qjs s SER 390 Cb -0.08 -0.26 1.66 0.00 0.10 0.00 0.00 66.02 67.45 1qjs s SER 390 CO 0.20 -0.06 2.09 0.00 0.98 0.00 0.00 173.24 176.45 1qjs s SER 392 N -2.02 3.10 -0.19 0.00 1.04 -1.26 -4.61 113.70 109.77 1qjs s SER 392 Ca 0.45 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 56.00 1qjs s SER 392 Cb 0.22 -0.21 -0.07 0.00 0.10 0.00 0.00 66.02 66.06 1qjs s SER 392 CO 0.36 0.16 -0.27 0.35 0.98 0.00 0.00 173.24 174.82 1qjs n THR 393 N 1.03 1.48 -2.89 2.02 -2.24 -1.26 -4.68 114.28 107.74 1qjs n THR 393 Ca -0.18 0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1qjs n THR 393 Cb 0.53 -2.27 -0.02 0.00 -2.10 0.00 0.00 70.33 66.47 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 -4.47 5.50 0.00 3.42 3.41 -1.26 -4.98 113.62 115.24 1qjs n SER 394 Ca -0.19 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 1qjs n SER 394 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.02 0.99 3.77 5.00 0.00 -1.26 -5.16 105.19 108.55 1qjs n GLY 395 Ca 0.36 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 3.24 0.38 1.61 0.04 -1.26 -4.73 135.00 132.28 1qjs s PRO 396 Ca 0.00 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1qjs s PRO 396 Cb 0.00 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1qjs s PRO 396 CO 0.00 -0.92 0.85 -0.80 0.04 0.00 0.00 177.00 176.17 1qjs s ASN 397 N -2.01 6.86 -0.21 6.66 -0.87 0.08 -4.50 114.94 120.95 1qjs s ASN 397 Ca 0.71 1.50 -0.01 0.00 -1.57 0.00 0.00 52.86 53.48 1qjs s ASN 397 Cb -0.22 -2.46 0.06 0.00 -0.02 0.00 0.00 41.25 38.60 1qjs s ASN 397 CO 0.30 -0.30 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.31 1qjs s LEU 398 N -3.12 1.73 0.09 0.60 2.96 -0.73 -2.40 118.68 117.81 1qjs s LEU 398 Ca 0.58 -0.93 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1qjs s LEU 398 Cb -0.10 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1qjs s LEU 398 CO 0.15 -0.27 0.05 -0.31 -1.32 0.00 0.00 176.35 174.66 1qjs s TYR 399 N 1.67 3.12 -0.01 5.38 2.02 0.27 -0.48 117.35 129.32 1qjs s TYR 399 Ca -0.03 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1qjs s TYR 399 Cb -0.18 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1qjs s TYR 399 CO -0.07 0.51 0.01 -0.51 -1.57 0.00 0.00 175.55 173.91 1qjs s LEU 400 N -2.38 1.57 0.21 -1.29 1.43 -0.67 -0.69 118.68 116.87 1qjs s LEU 400 Ca 0.28 0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.49 1qjs s LEU 400 Cb -0.12 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 1qjs s LEU 400 CO 0.21 -0.05 -0.20 0.27 0.23 0.00 0.00 176.35 176.81 1qjs s ILE 401 N 0.49 2.15 -0.29 -0.59 -4.36 -0.81 -0.27 121.20 117.53 1qjs s ILE 401 Ca -0.04 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1qjs s ILE 401 Cb -0.06 -2.08 0.18 0.00 1.25 0.00 0.00 42.46 41.75 1qjs s ILE 401 CO -0.01 -0.33 0.56 -2.28 0.24 0.00 0.00 174.94 173.12 1qjs s HIS 402 N -2.21 -1.54 0.00 1.37 2.46 -0.75 0.95 115.29 115.58 1qjs s HIS 402 Ca 0.22 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.10 1qjs s HIS 402 Cb -0.05 0.39 0.00 0.00 -0.13 0.00 0.00 32.58 32.78 1qjs s HIS 402 CO 0.10 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 1qjs n GLY 403 N 5.41 2.53 0.71 1.59 0.00 -1.26 -1.48 105.19 112.69 1qjs n GLY 403 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 6.15 1.92 -4.00 1.61 -0.04 -1.26 -4.59 135.00 134.79 1qjs n PRO 404 Ca 0.00 -1.42 -0.30 0.00 -0.04 0.00 0.00 63.50 61.74 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 -2.06 5.87 -0.09 3.54 0.02 -0.55 -1.89 114.94 119.78 1qjs s ASN 405 Ca 0.31 0.09 0.02 0.00 -1.02 0.00 0.00 52.86 52.26 1qjs s ASN 405 Cb 0.20 -1.67 0.01 0.00 0.02 0.00 0.00 41.25 39.81 1qjs s ASN 405 CO 0.34 0.16 -0.14 -0.22 0.02 0.00 0.00 177.10 177.27 1qjs s LEU 406 N -2.51 1.66 0.10 0.60 2.96 -0.15 -1.80 118.68 119.54 1qjs s LEU 406 Ca 0.32 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1qjs s LEU 406 Cb -0.12 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1qjs s LEU 406 CO 0.25 0.02 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.83 1qjs s TYR 407 N 0.87 2.60 -0.03 5.38 2.02 0.63 -1.29 117.35 127.52 1qjs s TYR 407 Ca -0.10 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1qjs s TYR 407 Cb -0.15 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1qjs s TYR 407 CO 0.01 0.38 -0.07 0.00 -1.57 0.00 0.00 175.55 174.30 1qjs s TYR 409 N 0.41 1.82 0.21 0.00 1.51 0.37 -4.91 117.35 116.75 1qjs s TYR 409 Ca -0.06 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1qjs s TYR 409 Cb -0.10 -1.09 0.16 0.00 -0.11 0.00 0.00 41.96 40.82 1qjs s TYR 409 CO 0.00 0.08 1.59 0.00 -1.11 0.00 0.00 175.55 176.12 1qjs h ARG 410 N 4.91 0.71 -1.75 -0.62 2.47 -1.86 -1.94 114.38 116.29 1qjs h ARG 410 Ca -0.42 -0.33 0.23 0.00 -1.26 0.00 0.00 59.98 58.20 1qjs h ARG 410 Cb 1.16 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 29.32 1qjs h ARG 410 CO 0.44 0.94 0.71 -3.38 0.56 0.00 0.00 179.97 179.23 1qjs s HIS 411 N -4.41 -0.15 0.49 3.04 -3.43 -1.26 -4.56 115.29 105.01 1qjs s HIS 411 Ca -0.09 0.04 0.33 0.00 -0.80 0.00 0.00 55.06 54.54 1qjs s HIS 411 Cb 0.12 0.54 1.46 0.00 -1.43 0.00 0.00 32.58 33.28 1qjs s HIS 411 CO 0.84 -0.38 1.70 -0.39 -2.00 0.00 0.00 174.74 174.51 1qjs h VAL 412 N 2.00 0.27 -0.13 -5.38 -1.51 -1.94 0.29 116.25 109.86 1qjs h VAL 412 Ca -0.19 -0.04 -0.14 0.00 -1.23 0.00 0.00 66.70 65.10 1qjs h VAL 412 Cb 1.20 0.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1qjs h VAL 412 CO 0.26 0.02 -0.52 0.44 -1.23 0.00 0.00 177.57 176.55 1qjs h ASP 413 N 0.11 0.39 1.37 4.19 3.32 -1.99 0.18 116.42 123.99 1qjs h ASP 413 Ca 0.71 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1qjs h ASP 413 Cb 2.47 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.91 1qjs h ASP 413 CO -0.19 0.84 0.00 0.11 -1.72 0.00 0.00 179.24 178.28 1qjs h LYS 414 N 0.28 0.00 -0.05 3.56 1.57 -0.82 -0.31 116.57 120.80 1qjs h LYS 414 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1qjs h LYS 414 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1qjs h LYS 414 CO 0.09 0.00 -0.19 1.25 -0.57 0.00 0.00 179.45 180.03 1qjs h LEU 415 N 0.00 0.25 -0.40 2.94 5.85 -0.98 -3.09 115.31 119.88 1qjs h LEU 415 Ca 0.00 -0.63 -0.11 0.00 0.84 0.00 0.00 57.88 57.98 1qjs h LEU 415 Cb 0.68 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1qjs h LEU 415 CO 0.00 0.84 -0.17 0.78 -0.34 0.00 0.00 178.44 179.55 1qjs h ASN 416 N -0.32 0.85 0.78 1.25 2.35 -0.73 -3.19 115.58 116.57 1qjs h ASN 416 Ca -0.01 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1qjs h ASN 416 Cb 0.83 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1qjs h ASN 416 CO 0.04 1.05 0.00 0.00 -1.65 0.00 0.00 177.43 176.87 1qjs n ALA 417 N -2.48 2.04 -2.10 -0.83 0.00 -0.15 -4.45 120.51 112.54 1qjs n ALA 417 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1qjs n ALA 417 Cb 0.41 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.00 3.64 -0.08 0.00 0.00 -1.17 -4.91 121.76 116.24 1qjs s ALA 418 Ca 0.11 1.16 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 1qjs s ALA 418 Cb 0.15 -3.57 -0.29 0.00 0.00 0.00 0.00 23.12 19.40 1qjs s ALA 418 CO 0.42 -0.72 0.79 0.87 0.00 0.00 0.00 175.76 177.11 1qjs h LYS 419 N 7.04 0.24 -5.28 0.00 1.57 -1.92 -3.37 116.57 114.85 1qjs h LYS 419 Ca -0.42 -0.41 -0.60 0.00 -1.87 0.00 0.00 60.65 57.35 1qjs h LYS 419 Cb 1.20 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.53 1qjs h LYS 419 CO 0.88 1.19 -0.55 -0.80 -0.57 0.00 0.00 179.45 179.61 1qjs s ASN 420 N -6.88 3.43 0.24 0.86 0.01 -1.26 -4.85 114.94 106.49 1qjs s ASN 420 Ca -0.16 -1.54 -0.25 0.00 -0.71 0.00 0.00 52.86 50.20 1qjs s ASN 420 Cb 0.01 0.19 -0.09 0.00 0.41 0.00 0.00 41.25 41.77 1qjs s ASN 420 CO 0.79 -0.73 0.85 -0.76 -1.51 0.00 0.00 177.10 175.74 1qjs s LEU 421 N -3.70 4.48 0.85 0.60 1.43 -1.26 -4.91 118.68 116.17 1qjs s LEU 421 Ca 0.23 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 1qjs s LEU 421 Cb 0.05 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.75 1qjs s LEU 421 CO 0.12 0.08 1.09 -2.84 0.23 0.00 0.00 176.35 175.03 1qjs s PRO 422 N -1.59 1.62 0.01 1.29 0.02 -1.26 -4.91 135.00 130.18 1qjs s PRO 422 Ca 0.42 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.07 1qjs s PRO 422 Cb -0.21 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1qjs s PRO 422 CO 0.26 -2.02 1.56 -1.14 -0.33 0.00 0.00 177.00 175.33 1qjs s GLN 423 N -4.93 4.22 0.73 5.54 2.00 -1.26 -4.97 119.66 120.99 1qjs s GLN 423 Ca 0.63 2.17 -0.11 0.00 -2.00 0.00 0.00 55.36 56.04 1qjs s GLN 423 Cb -0.18 -3.69 0.03 0.00 0.80 0.00 0.00 33.01 29.98 1qjs s GLN 423 CO 0.57 -0.71 1.07 -1.25 -0.50 0.00 0.00 175.29 174.47 1qjs s PRO 424 N 2.92 2.66 0.31 1.67 0.04 -1.26 -4.89 135.00 136.46 1qjs s PRO 424 Ca 0.70 0.79 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1qjs s PRO 424 Cb -0.35 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1qjs s PRO 424 CO 0.29 -1.25 -0.05 -0.65 0.04 0.00 0.00 177.00 175.39 1qjs s GLN 425 N -5.12 2.00 0.05 4.56 -1.52 -0.41 -4.91 119.66 114.31 1qjs s GLN 425 Ca 0.59 -1.72 -0.30 0.00 -1.95 0.00 0.00 55.36 51.98 1qjs s GLN 425 Cb -0.14 -1.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.70 1qjs s GLN 425 CO 0.54 0.22 1.01 1.03 -0.25 0.00 0.00 175.29 177.85 1qjs s ARG 426 N -3.65 4.58 0.41 2.91 1.81 -1.26 -0.98 118.95 122.77 1qjs s ARG 426 Ca 0.33 1.50 0.22 0.00 -1.72 0.00 0.00 55.73 56.06 1qjs s ARG 426 Cb -0.02 -3.41 0.54 0.00 -0.45 0.00 0.00 34.95 31.61 1qjs s ARG 426 CO 0.18 0.01 1.66 0.28 -0.68 0.00 0.00 175.30 176.75 1qjs h VAL 427 N 4.46 0.41 -0.26 3.52 2.07 -1.68 -2.61 116.25 122.15 1qjs h VAL 427 Ca -0.42 -1.34 -0.13 0.00 0.82 0.00 0.00 66.70 65.64 1qjs h VAL 427 Cb 1.22 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1qjs h VAL 427 CO 0.75 0.21 -0.36 0.77 0.02 0.00 0.00 177.57 178.95 1qjs h SER 428 N 0.00 0.61 -0.32 0.57 4.64 -1.92 -2.74 113.55 114.39 1qjs h SER 428 Ca -0.00 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1qjs h SER 428 Cb 0.99 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 1qjs h SER 428 CO 0.03 0.92 0.09 -0.09 -0.87 0.00 0.00 176.83 176.91 1qjs h ARG 429 N 0.49 0.21 0.00 4.77 9.65 -1.79 0.23 114.38 127.95 1qjs h ARG 429 Ca 0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1qjs h ARG 429 Cb 0.85 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1qjs h ARG 429 CO 0.07 0.14 0.00 1.47 2.80 0.00 0.00 179.97 184.45 1qjs n LEU 430 N -5.05 0.00 -0.88 3.80 -0.00 -1.05 -1.58 117.00 112.24 1qjs n LEU 430 Ca 0.00 0.23 0.08 0.00 -0.00 0.00 0.00 56.01 56.32 1qjs n LEU 430 Cb 0.12 -0.23 0.21 0.00 -0.00 0.00 0.00 43.42 43.53 1qjs n LEU 430 CO 0.27 -0.09 0.68 0.18 -0.00 0.00 0.00 177.39 178.43 1qjs n LEU 431 N -1.23 3.33 -2.86 1.47 4.77 0.69 -4.93 117.00 118.24 1qjs n LEU 431 Ca 0.10 -2.07 -0.12 0.00 -0.03 0.00 0.00 56.01 53.88 1qjs n LEU 431 Cb 0.13 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1qjs n LEU 431 CO 0.13 0.80 0.06 0.61 -1.33 0.00 0.00 177.39 177.66 1qjs n GLY 432 N 0.79 -0.39 0.00 -0.72 0.00 -0.39 -4.94 105.19 99.54 1qjs n GLY 432 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 2.76 1.76 0.00 0.00 2.01 -1.26 -4.84 115.64 116.07 1qjs s THR 434 Ca 0.00 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1qjs s THR 434 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 71.01 1qjs s THR 434 CO 0.00 0.50 0.00 1.57 -0.69 0.00 0.00 174.62 176.00