#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qhu n GLU 25 N 0.00 -0.00 0.00 9.51 1.02 -1.26 -0.41 120.64 129.49 1qhu n GLU 25 Ca 0.00 0.23 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1qhu n GLU 25 Cb 0.00 -0.34 0.04 0.00 -0.02 0.00 0.00 31.44 31.12 1qhu n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qhu n GLN 26 N -2.28 0.02 0.00 3.49 0.00 -1.26 -2.33 117.38 115.02 1qhu n GLN 26 Ca 0.00 0.28 0.08 0.00 0.00 0.00 0.00 57.00 57.36 1qhu n GLN 26 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 1qhu n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qhu s SER 28 N -2.02 6.31 0.65 0.00 1.04 -0.98 -5.03 113.70 113.66 1qhu s SER 28 Ca 0.12 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.51 1qhu s SER 28 Cb 0.13 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 1qhu s SER 28 CO 0.45 -0.63 1.23 -1.81 0.98 0.00 0.00 173.24 173.46 1qhu s ASP 29 N -3.93 4.76 0.00 7.02 1.11 -1.26 -3.11 116.67 121.25 1qhu s ASP 29 Ca 0.51 2.43 0.00 0.00 0.18 0.00 0.00 52.55 55.67 1qhu s ASP 29 Cb -0.10 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1qhu s ASP 29 CO 0.45 -1.89 0.00 0.61 1.18 0.00 0.00 175.17 175.52 1qhu n GLY 30 N 0.55 0.54 3.78 0.21 0.00 -1.26 -5.00 105.19 104.00 1qhu n GLY 30 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1qhu n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qhu s TRP 31 N -2.57 2.91 -0.18 1.61 -0.11 -1.18 -4.97 118.94 114.46 1qhu s TRP 31 Ca 0.00 1.56 -0.13 0.00 1.22 0.00 0.00 56.10 58.75 1qhu s TRP 31 Cb 0.00 -3.28 0.05 0.00 -1.50 0.00 0.00 33.47 28.74 1qhu s TRP 31 CO 0.00 -1.29 0.45 -1.54 -4.62 0.00 0.00 176.95 169.95 1qhu s SER 32 N -1.56 -0.51 0.16 5.86 1.04 -1.26 -3.26 113.70 114.17 1qhu s SER 32 Ca 0.65 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.93 1qhu s SER 32 Cb -0.25 0.89 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 1qhu s SER 32 CO 0.30 -0.17 0.46 -0.36 0.98 0.00 0.00 173.24 174.45 1qhu s PHE 33 N 0.74 3.50 0.11 5.02 0.08 -1.26 -4.94 117.98 121.23 1qhu s PHE 33 Ca -0.04 0.78 -0.09 0.00 0.12 0.00 0.00 56.93 57.70 1qhu s PHE 33 Cb -0.05 -2.17 -0.12 0.00 -0.57 0.00 0.00 43.02 40.10 1qhu s PHE 33 CO -0.05 0.39 1.30 -0.44 -0.10 0.00 0.00 175.22 176.32 1qhu h ASP 34 N 3.01 0.76 -5.08 1.36 3.32 -0.99 -3.43 116.42 115.37 1qhu h ASP 34 Ca -0.47 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.02 1qhu h ASP 34 Cb 1.18 -0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.41 1qhu h ASP 34 CO 0.69 1.34 0.07 0.00 -1.72 0.00 0.00 179.24 179.62 1qhu s ALA 35 N -3.49 -0.95 -0.03 3.45 0.00 -1.13 -4.55 121.76 115.06 1qhu s ALA 35 Ca -0.08 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 1qhu s ALA 35 Cb 0.08 0.89 0.02 0.00 0.00 0.00 0.00 23.12 24.12 1qhu s ALA 35 CO 0.89 -0.87 0.30 0.95 0.00 0.00 0.00 175.76 177.04 1qhu s THR 36 N -3.90 0.05 -0.13 0.00 -4.23 -1.26 -1.97 115.64 104.20 1qhu s THR 36 Ca 0.11 -0.41 -0.33 0.00 -1.18 0.00 0.00 61.69 59.88 1qhu s THR 36 Cb -0.02 -0.58 0.13 0.00 1.34 0.00 0.00 72.50 73.36 1qhu s THR 36 CO 0.01 -0.23 1.09 0.28 -0.54 0.00 0.00 174.62 175.23 1qhu s THR 37 N -1.10 0.00 0.19 3.99 -1.32 -0.98 -4.54 115.64 111.89 1qhu s THR 37 Ca -0.12 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.26 1qhu s THR 37 Cb -0.05 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.87 1qhu s THR 37 CO 0.04 0.00 0.54 -0.76 -2.21 0.00 0.00 174.62 172.22 1qhu s LEU 38 N -2.22 4.23 0.00 9.08 1.43 -1.26 0.57 118.68 130.52 1qhu s LEU 38 Ca 0.07 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1qhu s LEU 38 Cb -0.01 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1qhu s LEU 38 CO -0.06 -0.00 0.16 -0.90 0.23 0.00 0.00 176.35 175.78 1qhu n ASP 39 N 0.21 0.30 0.00 2.29 5.68 0.36 -4.57 116.55 120.82 1qhu n ASP 39 Ca -0.02 -1.24 0.07 0.00 -0.50 0.00 0.00 54.79 53.10 1qhu n ASP 39 Cb 0.52 -0.10 0.32 0.00 -1.14 0.00 0.00 41.12 40.72 1qhu n ASP 39 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qhu n ASP 40 N -2.94 0.00 -0.83 -1.12 5.75 -1.26 -1.97 116.55 114.18 1qhu n ASP 40 Ca 0.03 0.34 0.09 0.00 -0.01 0.00 0.00 54.79 55.24 1qhu n ASP 40 Cb 0.11 -0.42 0.14 0.00 -1.03 0.00 0.00 41.12 39.92 1qhu n ASP 40 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qhu n ASN 41 N -1.42 2.88 0.00 -1.12 5.03 -1.26 -4.95 115.26 114.42 1qhu n ASN 41 Ca 0.05 -1.84 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1qhu n ASN 41 Cb 0.14 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 1qhu n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qhu n GLY 42 N 1.04 0.51 3.87 7.41 0.00 -0.83 -4.82 105.19 112.37 1qhu n GLY 42 Ca 0.14 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1qhu n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhu s THR 43 N -2.00 5.22 0.11 2.61 2.01 -1.26 -4.57 115.64 117.76 1qhu s THR 43 Ca 0.00 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1qhu s THR 43 Cb 0.00 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 1qhu s THR 43 CO 0.00 0.46 1.14 -0.04 -0.69 0.00 0.00 174.62 175.49 1qhu s MET 44 N -1.47 4.51 -0.09 4.92 -1.94 -1.26 -0.49 119.30 123.48 1qhu s MET 44 Ca 0.25 1.73 0.04 0.00 -1.71 0.00 0.00 55.69 56.00 1qhu s MET 44 Cb -0.14 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.38 1qhu s MET 44 CO 0.13 -0.10 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.32 1qhu s LEU 45 N 0.41 1.98 -0.29 -0.03 1.43 0.19 -0.90 118.68 121.46 1qhu s LEU 45 Ca 0.54 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1qhu s LEU 45 Cb -0.29 -1.26 0.06 0.00 0.03 0.00 0.00 46.19 44.73 1qhu s LEU 45 CO 0.32 0.13 -0.03 -0.36 0.23 0.00 0.00 176.35 176.64 1qhu s PHE 46 N 0.42 3.35 -0.02 0.29 0.40 0.05 -2.31 117.98 120.16 1qhu s PHE 46 Ca -0.18 -2.23 -0.05 0.00 -0.60 0.00 0.00 56.93 53.87 1qhu s PHE 46 Cb -0.17 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1qhu s PHE 46 CO 0.08 -0.86 0.21 -0.06 0.70 0.00 0.00 175.22 175.29 1qhu s PHE 47 N 1.14 3.57 -0.28 0.36 0.40 -0.83 -0.26 117.98 122.08 1qhu s PHE 47 Ca -0.04 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.63 1qhu s PHE 47 Cb -0.20 -1.91 0.10 0.00 0.51 0.00 0.00 43.02 41.52 1qhu s PHE 47 CO -0.04 0.64 0.64 0.21 0.70 0.00 0.00 175.22 177.38 1qhu s LYS 48 N -1.75 0.62 7.26 0.44 2.47 -0.55 -0.42 119.74 127.80 1qhu s LYS 48 Ca 0.26 1.30 0.00 0.00 -1.56 0.00 0.00 55.97 55.97 1qhu s LYS 48 Cb -0.13 0.48 0.00 0.00 -1.46 0.00 0.00 37.83 36.72 1qhu s LYS 48 CO 0.16 -0.18 0.00 -0.25 0.16 0.00 0.00 175.35 175.24 1qhu n ASP 49 N 4.89 0.00 -0.72 1.43 8.00 -1.26 -1.31 116.55 127.58 1qhu n ASP 49 Ca -0.16 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.47 1qhu n ASP 49 Cb 0.54 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.87 1qhu n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qhu n GLU 50 N 14.00 1.90 -3.82 -1.24 4.71 -1.26 -3.44 120.64 131.49 1qhu n GLU 50 Ca 0.00 -1.44 -0.22 0.00 -0.01 0.00 0.00 57.16 55.49 1qhu n GLU 50 Cb 0.00 -1.47 -0.04 0.00 -1.01 0.00 0.00 31.44 28.92 1qhu n GLU 50 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1qhu s PHE 51 N -2.09 2.76 -0.02 -0.32 0.40 -0.43 -1.27 117.98 117.01 1qhu s PHE 51 Ca 0.30 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.20 1qhu s PHE 51 Cb 0.20 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.83 1qhu s PHE 51 CO 0.36 0.10 0.05 0.54 0.70 0.00 0.00 175.22 176.97 1qhu s VAL 52 N -2.42 -0.04 -0.22 -0.44 0.11 -0.50 -1.49 120.40 115.40 1qhu s VAL 52 Ca 0.43 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 59.55 1qhu s VAL 52 Cb -0.03 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 1qhu s VAL 52 CO 0.26 0.06 0.03 0.26 -3.33 0.00 0.00 175.10 172.37 1qhu s TRP 53 N 0.71 3.06 -0.15 1.54 0.51 0.65 -2.01 118.94 123.24 1qhu s TRP 53 Ca -0.06 -0.47 -0.05 0.00 -2.12 0.00 0.00 56.10 53.41 1qhu s TRP 53 Cb -0.08 -2.14 -0.03 0.00 -0.81 0.00 0.00 33.47 30.40 1qhu s TRP 53 CO -0.02 -0.30 0.02 0.15 -0.51 0.00 0.00 176.95 176.29 1qhu s LYS 54 N 1.25 3.63 0.43 4.98 1.02 -0.28 -0.77 119.74 129.99 1qhu s LYS 54 Ca 0.04 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1qhu s LYS 54 Cb -0.15 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1qhu s LYS 54 CO 0.02 0.38 0.00 -1.13 -0.92 0.00 0.00 175.35 173.70 1qhu n SER 55 N 3.15 -5.17 0.16 2.83 3.41 -0.08 -2.58 113.62 115.33 1qhu n SER 55 Ca -0.17 0.83 0.01 0.00 -0.26 0.00 0.00 58.87 59.28 1qhu n SER 55 Cb 0.53 -2.34 0.31 0.00 -0.26 0.00 0.00 64.21 62.44 1qhu n SER 55 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1qhu h HIS 56 N -0.72 0.08 0.00 7.33 2.07 -1.90 -2.51 115.15 119.50 1qhu h HIS 56 Ca 0.02 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qhu h HIS 56 Cb 0.71 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1qhu h HIS 56 CO 0.00 0.45 0.00 0.54 -3.07 0.00 0.00 177.93 175.85 1qhu n ARG 57 N -4.06 0.03 -3.01 5.12 1.74 -1.26 -1.91 116.66 113.31 1qhu n ARG 57 Ca -0.02 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.21 1qhu n ARG 57 Cb 0.43 -1.57 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 1qhu n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qhu n GLY 58 N -0.20 -0.18 3.59 -0.13 0.00 -0.95 -4.92 105.19 102.40 1qhu n GLY 58 Ca 0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1qhu n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhu s ILE 59 N -3.10 3.35 0.12 -0.61 1.01 -1.07 -4.61 121.20 116.29 1qhu s ILE 59 Ca 0.31 0.32 -0.21 0.00 0.00 0.00 0.00 60.65 61.07 1qhu s ILE 59 Cb -0.13 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1qhu s ILE 59 CO 0.38 -0.41 0.65 -0.60 0.00 0.00 0.00 174.94 174.95 1qhu s ARG 60 N 6.25 4.32 0.12 2.79 3.52 -1.26 -1.13 118.95 133.55 1qhu s ARG 60 Ca 0.82 0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 57.05 1qhu s ARG 60 Cb -0.22 -3.21 0.07 0.00 -1.56 0.00 0.00 34.95 30.04 1qhu s ARG 60 CO 0.31 0.59 0.62 -1.83 -0.81 0.00 0.00 175.30 174.19 1qhu s GLU 61 N -1.22 1.23 0.03 5.12 -1.05 -0.85 -5.03 118.70 116.93 1qhu s GLU 61 Ca 0.33 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 1qhu s GLU 61 Cb -0.20 0.57 -0.07 0.00 -0.44 0.00 0.00 34.13 33.99 1qhu s GLU 61 CO 0.22 -0.52 1.50 -1.17 0.95 0.00 0.00 175.26 176.24 1qhu s LEU 62 N -2.49 4.34 0.31 1.83 2.96 -1.26 -1.41 118.68 122.95 1qhu s LEU 62 Ca -0.01 2.26 0.06 0.00 -0.22 0.00 0.00 54.13 56.23 1qhu s LEU 62 Cb -0.01 -3.56 0.84 0.00 0.50 0.00 0.00 46.19 43.96 1qhu s LEU 62 CO -0.09 -0.78 1.65 0.40 -1.32 0.00 0.00 176.35 176.21 1qhu h ILE 63 N 4.86 0.31 0.00 6.68 2.04 -1.46 0.45 117.51 130.39 1qhu h ILE 63 Ca -0.40 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1qhu h ILE 63 Cb 1.19 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1qhu h ILE 63 CO 0.91 0.05 0.00 -1.54 0.00 0.00 0.00 178.15 177.57 1qhu n SER 64 N -5.16 0.00 -0.01 1.72 3.41 -1.26 -0.55 113.62 111.77 1qhu n SER 64 Ca 0.25 -0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.72 1qhu n SER 64 Cb 0.79 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 64.44 1qhu n SER 64 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1qhu h GLU 65 N 0.00 0.01 0.00 4.33 -0.00 -0.46 -3.33 114.58 115.13 1qhu h GLU 65 Ca 0.00 -0.02 -0.35 0.00 -0.00 0.00 0.00 59.36 58.99 1qhu h GLU 65 Cb 0.05 0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 28.76 1qhu h GLU 65 CO 0.00 0.58 -2.15 -2.13 -0.00 0.00 0.00 179.01 175.31 1qhu n ARG 66 N -3.10 0.49 -1.89 1.06 0.00 -1.13 -4.63 116.66 107.47 1qhu n ARG 66 Ca -0.15 0.21 -0.41 0.00 -0.00 0.00 0.00 57.85 57.50 1qhu n ARG 66 Cb 1.04 -1.33 -0.00 0.00 0.00 0.00 0.00 32.46 32.17 1qhu n ARG 66 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1qhu n TRP 67 N -4.08 3.05 -1.68 -0.14 7.02 0.29 -4.91 117.44 116.98 1qhu n TRP 67 Ca -0.43 -2.92 -0.46 0.00 -1.02 0.00 0.00 57.50 52.68 1qhu n TRP 67 Cb 0.79 -2.27 -0.04 0.00 -2.42 0.00 0.00 31.31 27.37 1qhu n TRP 67 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1qhu n LYS 68 N 4.45 2.30 0.00 -0.99 5.02 -1.25 -1.13 118.16 126.56 1qhu n LYS 68 Ca 0.54 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.67 1qhu n LYS 68 Cb 0.34 -2.67 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 1qhu n LYS 68 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qhu n ASN 69 N 5.37 0.00 -4.85 4.39 5.15 -1.26 -5.09 115.26 118.97 1qhu n ASN 69 Ca 0.20 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.82 1qhu n ASN 69 Cb 0.31 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.50 1qhu n ASN 69 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1qhu s PHE 70 N -2.49 3.61 0.03 1.20 5.36 -0.29 -5.08 117.98 120.33 1qhu s PHE 70 Ca 0.00 0.96 0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1qhu s PHE 70 Cb 0.00 -2.29 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 1qhu s PHE 70 CO 0.00 0.48 -0.12 0.42 -1.46 0.00 0.00 175.22 174.54 1qhu s ILE 71 N -1.40 0.97 0.00 3.12 -1.09 -1.26 -4.47 121.20 117.06 1qhu s ILE 71 Ca 0.35 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 1qhu s ILE 71 Cb -0.15 -0.87 0.00 0.00 -1.58 0.00 0.00 42.46 39.86 1qhu s ILE 71 CO 0.18 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.53 1qhu n GLY 72 N 2.11 -3.84 3.76 6.18 0.00 -1.26 -4.93 105.19 107.21 1qhu n GLY 72 Ca -0.17 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 1qhu n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhu s PRO 73 N -0.81 4.54 0.11 1.61 0.04 -1.22 -4.63 135.00 134.63 1qhu s PRO 73 Ca 0.00 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 1qhu s PRO 73 Cb 0.00 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.43 1qhu s PRO 73 CO 0.00 0.15 0.73 0.08 0.04 0.00 0.00 177.00 178.00 1qhu s VAL 74 N -1.29 4.54 -0.17 -0.36 1.01 -1.26 -4.83 120.40 118.05 1qhu s VAL 74 Ca 0.47 1.58 -0.07 0.00 0.00 0.00 0.00 61.98 63.96 1qhu s VAL 74 Cb -0.29 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 1qhu s VAL 74 CO 0.37 0.49 0.17 0.47 0.00 0.00 0.00 175.10 176.59 1qhu n ASP 75 N 1.96 2.05 -3.72 3.32 9.92 0.89 -4.45 116.55 126.52 1qhu n ASP 75 Ca -0.06 0.17 -0.10 0.00 -0.53 0.00 0.00 54.79 54.27 1qhu n ASP 75 Cb 0.49 -0.78 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 1qhu n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qhu s ALA 76 N -2.52 -0.69 0.02 2.24 0.00 -1.11 -4.16 121.76 115.55 1qhu s ALA 76 Ca -0.27 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1qhu s ALA 76 Cb 0.08 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1qhu s ALA 76 CO 0.69 -0.55 0.17 0.00 0.00 0.00 0.00 175.76 176.07 1qhu s ALA 77 N -3.47 -0.32 -0.07 0.00 0.00 -1.26 -1.55 121.76 115.08 1qhu s ALA 77 Ca 0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1qhu s ALA 77 Cb 0.02 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.45 1qhu s ALA 77 CO -0.09 -0.30 0.87 -0.59 0.00 0.00 0.00 175.76 175.64 1qhu s PHE 78 N -2.14 -0.44 -0.15 0.00 -0.12 -0.79 -4.47 117.98 109.87 1qhu s PHE 78 Ca -0.09 0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 57.33 1qhu s PHE 78 Cb -0.03 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 1qhu s PHE 78 CO -0.02 -0.50 0.02 0.50 -0.05 0.00 0.00 175.22 175.18 1qhu s ARG 79 N -1.94 3.69 -0.02 1.99 3.52 -1.26 -1.13 118.95 123.80 1qhu s ARG 79 Ca -0.01 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1qhu s ARG 79 Cb -0.01 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 1qhu s ARG 79 CO -0.01 0.36 -0.01 -1.01 -0.81 0.00 0.00 175.30 173.82 1qhu s HIS 80 N 0.10 0.27 0.00 5.12 3.76 0.91 -4.65 115.29 120.79 1qhu s HIS 80 Ca 0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 1qhu s HIS 80 Cb -0.13 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.27 1qhu s HIS 80 CO 0.02 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 1qhu n GLY 81 N 3.69 0.68 3.48 -2.22 0.00 -1.26 -2.50 105.19 107.06 1qhu n GLY 81 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1qhu n GLY 81 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qhu n HIS 82 N -2.60 0.00 0.00 1.61 -0.00 -1.26 -4.65 115.22 108.32 1qhu n HIS 82 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qhu n HIS 82 Cb 0.00 -1.43 0.00 0.00 -0.12 0.00 0.00 29.99 28.44 1qhu n HIS 82 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1qhu n THR 83 N -2.06 0.00 -4.31 3.57 -2.24 -1.23 -4.47 114.28 103.55 1qhu n THR 83 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1qhu n THR 83 Cb 0.16 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.95 1qhu n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1qhu s SER 84 N -2.29 5.16 -0.20 3.42 0.01 -1.04 -4.16 113.70 114.60 1qhu s SER 84 Ca 0.00 0.03 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 1qhu s SER 84 Cb 0.00 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1qhu s SER 84 CO 0.00 0.30 -0.11 -0.69 0.41 0.00 0.00 173.24 173.16 1qhu s VAL 85 N -1.04 2.84 -0.24 3.43 1.01 -0.96 -0.06 120.40 125.37 1qhu s VAL 85 Ca 0.18 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1qhu s VAL 85 Cb -0.11 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1qhu s VAL 85 CO 0.08 0.47 0.25 -0.31 0.00 0.00 0.00 175.10 175.60 1qhu s TYR 86 N 1.37 3.30 -0.20 5.22 1.51 -0.28 -0.69 117.35 127.58 1qhu s TYR 86 Ca 0.05 0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 56.41 1qhu s TYR 86 Cb -0.14 -2.39 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 1qhu s TYR 86 CO -0.07 -0.04 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.72 1qhu s LEU 87 N 1.41 2.61 -0.13 -1.29 1.43 -0.09 -1.89 118.68 120.72 1qhu s LEU 87 Ca 0.11 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1qhu s LEU 87 Cb -0.15 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1qhu s LEU 87 CO 0.07 0.00 -0.02 -0.63 0.23 0.00 0.00 176.35 176.00 1qhu s ILE 88 N 1.32 4.04 -0.22 -0.59 1.01 -0.60 -0.71 121.20 125.45 1qhu s ILE 88 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1qhu s ILE 88 Cb -0.14 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.70 1qhu s ILE 88 CO -0.06 0.53 0.41 -0.75 0.00 0.00 0.00 174.94 175.07 1qhu s LYS 89 N -0.09 0.34 5.15 2.79 2.20 -0.85 -0.08 119.74 129.20 1qhu s LYS 89 Ca 0.03 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 1qhu s LYS 89 Cb -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1qhu s LYS 89 CO 0.02 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1qhu n GLY 90 N 5.38 1.18 0.10 5.54 0.00 -1.26 -1.87 105.19 114.26 1qhu n GLY 90 Ca -0.06 0.29 0.05 0.00 0.00 0.00 0.00 46.02 46.29 1qhu n GLY 90 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qhu n ASP 91 N 9.81 2.26 -4.50 1.61 5.75 -1.26 -4.50 116.55 125.71 1qhu n ASP 91 Ca 0.00 -2.47 -0.25 0.00 -0.01 0.00 0.00 54.79 52.06 1qhu n ASP 91 Cb 0.00 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 39.79 1qhu n ASP 91 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qhu s LYS 92 N -1.82 1.80 -0.02 0.11 1.02 -0.78 -0.13 119.74 119.91 1qhu s LYS 92 Ca 0.16 -1.59 0.04 0.00 0.02 0.00 0.00 55.97 54.60 1qhu s LYS 92 Cb 0.13 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 1qhu s LYS 92 CO 0.02 0.37 -0.15 0.08 -0.92 0.00 0.00 175.35 174.74 1qhu s VAL 93 N -2.18 1.26 -0.21 3.17 1.01 0.11 -2.02 120.40 121.54 1qhu s VAL 93 Ca 0.27 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1qhu s VAL 93 Cb -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.29 1qhu s VAL 93 CO 0.15 0.36 -0.14 0.26 0.00 0.00 0.00 175.10 175.73 1qhu s TRP 94 N -0.15 2.82 -0.19 5.22 0.51 0.12 -1.51 118.94 125.76 1qhu s TRP 94 Ca 0.01 -1.86 -0.07 0.00 -2.12 0.00 0.00 56.10 52.06 1qhu s TRP 94 Cb -0.08 -1.83 -0.04 0.00 -0.81 0.00 0.00 33.47 30.71 1qhu s TRP 94 CO 0.00 -0.81 0.05 0.08 -0.51 0.00 0.00 176.95 175.77 1qhu s VAL 95 N 1.26 4.66 -0.22 4.03 1.01 -1.26 -0.91 120.40 128.97 1qhu s VAL 95 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1qhu s VAL 95 Cb -0.17 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1qhu s VAL 95 CO -0.09 0.45 -0.08 -0.31 0.00 0.00 0.00 175.10 175.07 1qhu s TYR 96 N 0.51 2.51 0.45 5.22 1.51 0.13 -4.93 117.35 122.74 1qhu s TYR 96 Ca 0.03 -1.76 0.06 0.00 -1.01 0.00 0.00 57.07 54.38 1qhu s TYR 96 Cb -0.13 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1qhu s TYR 96 CO 0.01 -0.77 0.62 0.95 -1.11 0.00 0.00 175.55 175.25 1qhu s THR 97 N 1.36 3.10 -0.20 -0.71 -4.23 -1.26 -2.26 115.64 111.44 1qhu s THR 97 Ca -0.04 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1qhu s THR 97 Cb -0.18 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.65 1qhu s THR 97 CO -0.07 -0.04 2.29 -1.54 -0.54 0.00 0.00 174.62 174.73 1qhu n SER 98 N -1.97 5.98 -4.40 3.99 3.41 -1.26 -5.03 113.62 114.34 1qhu n SER 98 Ca 0.07 -2.81 -0.38 0.00 -0.26 0.00 0.00 58.87 55.49 1qhu n SER 98 Cb 0.59 -1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 63.27 1qhu n SER 98 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1qhu s PRO 106 N -0.91 3.25 0.19 4.33 0.04 -1.26 -5.22 135.00 135.42 1qhu s PRO 106 Ca 0.29 -0.76 0.08 0.00 0.04 0.00 0.00 61.00 60.64 1qhu s PRO 106 Cb 0.19 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1qhu s PRO 106 CO -0.03 -0.41 0.00 0.15 0.04 0.00 0.00 177.00 176.75 1qhu s LYS 107 N 1.57 2.39 0.18 4.56 1.02 -0.57 -4.90 119.74 123.98 1qhu s LYS 107 Ca 0.04 -1.15 -0.16 0.00 0.02 0.00 0.00 55.97 54.72 1qhu s LYS 107 Cb -0.17 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.74 1qhu s LYS 107 CO 0.04 0.44 0.62 -1.54 -0.92 0.00 0.00 175.35 173.99 1qhu s SER 108 N -3.05 6.91 0.24 2.83 1.04 -1.26 0.07 113.70 120.48 1qhu s SER 108 Ca 0.28 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.85 1qhu s SER 108 Cb -0.09 -2.34 0.30 0.00 0.10 0.00 0.00 66.02 63.99 1qhu s SER 108 CO 0.19 0.07 1.87 0.25 0.98 0.00 0.00 173.24 176.60 1qhu h LEU 109 N 3.48 0.93 -2.34 2.42 5.85 -0.85 -1.54 115.31 123.25 1qhu h LEU 109 Ca -0.48 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1qhu h LEU 109 Cb 1.19 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1qhu h LEU 109 CO 0.66 0.62 0.07 1.56 -0.34 0.00 0.00 178.44 181.01 1qhu h GLN 110 N 1.08 0.00 0.06 1.25 7.50 -1.82 1.00 115.11 124.18 1qhu h GLN 110 Ca 0.36 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 59.14 1qhu h GLN 110 Cb 0.06 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.54 1qhu h GLN 110 CO -0.14 0.00 -2.21 -0.25 -1.50 0.00 0.00 178.83 174.73 1qhu n ASP 111 N -3.92 2.05 -0.02 1.46 8.00 -0.66 -3.92 116.55 119.54 1qhu n ASP 111 Ca -0.01 0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 1qhu n ASP 111 Cb 0.17 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.47 1qhu n ASP 111 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1qhu h GLU 112 N -0.03 0.14 -2.21 -1.24 4.57 -1.23 -3.40 114.58 111.18 1qhu h GLU 112 Ca -0.50 -0.24 -0.59 0.00 -1.18 0.00 0.00 59.36 56.85 1qhu h GLU 112 Cb 1.94 0.09 -0.42 0.00 -0.16 0.00 0.00 28.75 30.20 1qhu h GLU 112 CO -0.02 1.11 -0.67 1.19 -1.18 0.00 0.00 179.01 179.44 1qhu n PHE 113 N -4.36 3.41 -1.65 0.92 3.72 0.35 -5.07 117.46 114.78 1qhu n PHE 113 Ca -0.13 -4.04 -0.47 0.00 -0.05 0.00 0.00 57.45 52.75 1qhu n PHE 113 Cb 0.65 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1qhu n PHE 113 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qhu n PRO 114 N 0.41 1.84 0.00 -1.08 -0.02 -1.21 -2.61 135.00 132.32 1qhu n PRO 114 Ca 0.30 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1qhu n PRO 114 Cb 0.42 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1qhu n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhu n GLY 115 N 2.90 2.06 3.70 -1.23 0.00 -1.26 -4.91 105.19 106.45 1qhu n GLY 115 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1qhu n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhu s ILE 116 N -2.32 4.89 0.80 -0.61 -1.09 -1.07 -5.06 121.20 116.74 1qhu s ILE 116 Ca 0.00 1.91 -0.11 0.00 -2.23 0.00 0.00 60.65 60.22 1qhu s ILE 116 Cb 0.00 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.70 1qhu s ILE 116 CO 0.00 0.14 1.10 -2.84 -1.23 0.00 0.00 174.94 172.11 1qhu s PRO 117 N 1.22 2.01 0.02 2.79 0.02 -1.26 -4.92 135.00 134.87 1qhu s PRO 117 Ca 0.48 1.17 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 1qhu s PRO 117 Cb -0.20 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.46 1qhu s PRO 117 CO 0.23 -1.82 0.20 -0.59 -0.33 0.00 0.00 177.00 174.69 1qhu s PHE 118 N -2.88 0.01 0.24 6.54 -0.12 -1.26 -4.27 117.98 116.24 1qhu s PHE 118 Ca 0.62 -0.14 -0.30 0.00 -0.05 0.00 0.00 56.93 57.06 1qhu s PHE 118 Cb -0.18 -0.01 -0.10 0.00 -0.63 0.00 0.00 43.02 42.10 1qhu s PHE 118 CO 0.56 -0.38 1.50 -2.14 -0.05 0.00 0.00 175.22 174.71 1qhu s PRO 119 N -2.01 4.22 0.52 1.99 0.02 -1.26 -5.03 135.00 133.45 1qhu s PRO 119 Ca -0.09 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.19 1qhu s PRO 119 Cb -0.04 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1qhu s PRO 119 CO -0.01 -0.51 0.92 -0.51 -0.33 0.00 0.00 177.00 176.57 1qhu s LEU 120 N -0.12 3.53 -0.15 -5.54 1.43 -1.26 -4.90 118.68 111.67 1qhu s LEU 120 Ca 0.62 1.31 0.17 0.00 -1.03 0.00 0.00 54.13 55.21 1qhu s LEU 120 Cb -0.44 -4.28 -0.25 0.00 0.03 0.00 0.00 46.19 41.25 1qhu s LEU 120 CO 0.42 -0.64 0.14 0.47 0.23 0.00 0.00 176.35 176.97 1qhu n ASP 121 N -2.05 0.37 -3.56 2.29 8.00 -0.15 -4.64 116.55 116.81 1qhu n ASP 121 Ca 0.04 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.48 1qhu n ASP 121 Cb 0.54 1.17 -0.02 0.00 -0.02 0.00 0.00 41.12 42.79 1qhu n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhu s ALA 122 N -2.65 -1.97 -0.05 2.24 0.00 -0.97 -3.94 121.76 114.41 1qhu s ALA 122 Ca -0.09 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 1qhu s ALA 122 Cb 0.07 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1qhu s ALA 122 CO 0.78 -0.61 0.38 0.00 0.00 0.00 0.00 175.76 176.31 1qhu s ALA 123 N -2.61 -0.95 -0.08 0.00 0.00 -1.26 -1.28 121.76 115.57 1qhu s ALA 123 Ca 0.07 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1qhu s ALA 123 Cb -0.01 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.03 1qhu s ALA 123 CO -0.06 -0.26 0.20 0.08 0.00 0.00 0.00 175.76 175.72 1qhu s VAL 124 N -0.93 -0.03 0.52 0.00 1.01 -0.57 -4.52 120.40 115.88 1qhu s VAL 124 Ca -0.10 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 1qhu s VAL 124 Cb -0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 1qhu s VAL 124 CO 0.04 0.04 1.30 -1.83 0.00 0.00 0.00 175.10 174.65 1qhu s GLU 125 N 0.76 3.35 -0.20 2.72 1.03 -1.26 -0.21 118.70 124.89 1qhu s GLU 125 Ca -0.05 2.10 -0.02 0.00 0.03 0.00 0.00 54.97 57.03 1qhu s GLU 125 Cb -0.07 -2.32 0.06 0.00 -0.80 0.00 0.00 34.13 31.00 1qhu s GLU 125 CO -0.04 -0.98 0.02 0.00 -1.33 0.00 0.00 175.26 172.92 1qhu s HIS 127 N 1.76 3.36 0.20 0.00 3.76 -1.26 -1.01 115.29 122.11 1qhu s HIS 127 Ca -0.02 1.66 -0.31 0.00 -0.15 0.00 0.00 55.06 56.24 1qhu s HIS 127 Cb -0.17 -3.22 -0.10 0.00 1.11 0.00 0.00 32.58 30.20 1qhu s HIS 127 CO -0.08 -0.68 1.50 0.50 -0.85 0.00 0.00 174.74 175.13 1qhu s ARG 128 N -2.06 4.24 0.00 1.40 3.52 -1.26 -0.50 118.95 124.29 1qhu s ARG 128 Ca 0.52 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.44 1qhu s ARG 128 Cb -0.27 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1qhu s ARG 128 CO 0.34 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 1qhu n GLY 129 N 3.05 2.58 0.13 8.12 0.00 -1.25 -4.73 105.19 113.08 1qhu n GLY 129 Ca 0.11 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1qhu n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qhu n GLU 130 N 0.00 0.68 -3.45 1.61 1.02 -0.34 -0.83 120.64 119.33 1qhu n GLU 130 Ca 0.00 0.25 -0.21 0.00 -0.02 0.00 0.00 57.16 57.19 1qhu n GLU 130 Cb 0.00 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 1qhu n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qhu h GLN 132 N 0.86 0.43 -4.49 0.00 4.20 -1.83 -3.40 115.11 110.89 1qhu h GLN 132 Ca -0.40 -0.34 -0.20 0.00 0.06 0.00 0.00 58.65 57.77 1qhu h GLN 132 Cb 1.27 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.97 1qhu h GLN 132 CO 0.54 0.98 -0.66 -0.51 -0.67 0.00 0.00 178.83 178.50 1qhu s ASP 133 N -6.97 0.57 0.06 1.46 1.01 -1.26 -4.48 116.67 107.06 1qhu s ASP 133 Ca -0.06 -1.16 -0.31 0.00 0.71 0.00 0.00 52.55 51.73 1qhu s ASP 133 Cb 0.10 0.23 -0.07 0.00 1.01 0.00 0.00 42.92 44.20 1qhu s ASP 133 CO 0.84 -0.66 1.36 -0.70 0.21 0.00 0.00 175.17 176.22 1qhu s GLU 134 N -3.99 4.33 0.00 8.23 2.56 -1.26 -4.14 118.70 124.43 1qhu s GLU 134 Ca 0.21 1.98 0.00 0.00 0.00 0.00 0.00 54.97 57.16 1qhu s GLU 134 Cb 0.07 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1qhu s GLU 134 CO 0.00 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.66 1qhu n GLY 135 N 3.50 2.39 3.04 -1.50 0.00 -0.18 -2.52 105.19 109.92 1qhu n GLY 135 Ca 0.12 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1qhu n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qhu s ILE 136 N -1.38 0.08 -0.18 -0.61 1.01 -0.87 -0.61 121.20 118.64 1qhu s ILE 136 Ca 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1qhu s ILE 136 Cb 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 1qhu s ILE 136 CO 0.00 -0.36 -0.04 -0.76 0.00 0.00 0.00 174.94 173.78 1qhu s LEU 137 N -1.17 3.09 -0.11 2.97 1.43 0.71 -1.06 118.68 124.55 1qhu s LEU 137 Ca -0.13 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1qhu s LEU 137 Cb -0.07 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1qhu s LEU 137 CO 0.00 0.09 0.01 -0.36 0.23 0.00 0.00 176.35 176.32 1qhu s PHE 138 N 0.80 3.16 -0.06 0.29 0.08 -0.45 -1.52 117.98 120.29 1qhu s PHE 138 Ca -0.01 0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.17 1qhu s PHE 138 Cb -0.15 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1qhu s PHE 138 CO 0.02 0.35 -0.15 -0.06 -0.10 0.00 0.00 175.22 175.28 1qhu s PHE 139 N -0.52 1.62 -0.17 0.36 0.40 -0.40 -2.04 117.98 117.23 1qhu s PHE 139 Ca 0.09 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1qhu s PHE 139 Cb -0.12 -1.14 0.06 0.00 0.51 0.00 0.00 43.02 42.32 1qhu s PHE 139 CO 0.02 -0.25 0.05 -1.14 0.70 0.00 0.00 175.22 174.60 1qhu s GLN 140 N 0.43 0.47 7.79 0.44 0.74 -0.17 -0.97 119.66 128.40 1qhu s GLN 140 Ca -0.12 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.03 1qhu s GLN 140 Cb -0.15 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.07 1qhu s GLN 140 CO 0.04 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 174.58 1qhu n GLY 141 N 5.13 3.41 1.34 2.59 0.00 -1.26 -1.22 105.19 115.18 1qhu n GLY 141 Ca -0.08 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1qhu n GLY 141 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qhu n ASN 142 N 6.37 3.90 -4.78 1.61 4.05 -1.26 -4.22 115.26 120.93 1qhu n ASN 142 Ca 0.00 -2.05 -0.33 0.00 0.45 0.00 0.00 54.58 52.64 1qhu n ASN 142 Cb 0.00 -0.49 -0.07 0.00 1.23 0.00 0.00 39.78 40.45 1qhu n ASN 142 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1qhu s ARG 143 N -1.15 3.09 0.01 1.20 1.81 -0.36 -4.97 118.95 118.58 1qhu s ARG 143 Ca 0.48 -0.46 0.01 0.00 -1.72 0.00 0.00 55.73 54.03 1qhu s ARG 143 Cb 0.26 -2.87 -0.01 0.00 -0.45 0.00 0.00 34.95 31.87 1qhu s ARG 143 CO 0.31 0.66 -0.04 0.15 -0.68 0.00 0.00 175.30 175.70 1qhu s LYS 144 N -1.67 0.32 0.00 3.54 3.01 -1.26 -0.99 119.74 122.69 1qhu s LYS 144 Ca 0.22 -0.31 0.01 0.00 -1.01 0.00 0.00 55.97 54.88 1qhu s LYS 144 Cb -0.12 -0.21 -0.00 0.00 -1.01 0.00 0.00 37.83 36.48 1qhu s LYS 144 CO 0.13 0.05 -0.02 -1.58 0.51 0.00 0.00 175.35 174.44 1qhu s TRP 145 N -0.52 0.19 -0.20 3.18 0.51 -0.86 -0.41 118.94 120.83 1qhu s TRP 145 Ca -0.03 -0.10 -0.11 0.00 -2.12 0.00 0.00 56.10 53.74 1qhu s TRP 145 Cb -0.04 -0.12 -0.05 0.00 -0.81 0.00 0.00 33.47 32.44 1qhu s TRP 145 CO -0.00 -0.03 0.16 0.12 -0.51 0.00 0.00 176.95 176.69 1qhu s PHE 146 N -0.25 3.40 -0.25 -1.98 5.36 -0.14 -1.34 117.98 122.79 1qhu s PHE 146 Ca -0.02 0.36 -0.09 0.00 -0.96 0.00 0.00 56.93 56.22 1qhu s PHE 146 Cb -0.02 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 1qhu s PHE 146 CO -0.00 0.25 0.12 -0.46 -1.46 0.00 0.00 175.22 173.67 1qhu s TRP 147 N 0.49 3.19 -0.40 10.12 -0.11 -0.22 -2.14 118.94 129.86 1qhu s TRP 147 Ca 0.09 -0.08 -0.19 0.00 1.22 0.00 0.00 56.10 57.15 1qhu s TRP 147 Cb -0.12 -2.26 0.01 0.00 -1.50 0.00 0.00 33.47 29.61 1qhu s TRP 147 CO -0.00 -0.15 0.55 0.34 -4.62 0.00 0.00 176.95 173.06 1qhu s ASP 148 N 1.38 6.29 0.53 5.86 -1.08 -0.22 -2.05 116.67 127.37 1qhu s ASP 148 Ca 0.06 -0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.06 1qhu s ASP 148 Cb -0.15 -2.28 1.45 0.00 -1.46 0.00 0.00 42.92 40.48 1qhu s ASP 148 CO 0.06 -0.63 2.05 -0.07 0.52 0.00 0.00 175.17 177.10 1qhu h LEU 149 N 9.33 0.00 0.21 -1.34 3.38 -1.82 0.32 115.31 125.40 1qhu h LEU 149 Ca -0.26 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.37 1qhu h LEU 149 Cb 1.11 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.88 1qhu h LEU 149 CO 0.83 0.11 -1.60 0.74 0.09 0.00 0.00 178.44 178.61 1qhu h THR 150 N 0.00 1.13 0.00 0.22 2.02 -1.94 -3.39 112.91 110.95 1qhu h THR 150 Ca -0.00 -2.64 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 1qhu h THR 150 Cb 0.39 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1qhu h THR 150 CO 0.01 0.84 -1.72 0.41 0.37 0.00 0.00 175.52 175.43 1qhu n THR 151 N -3.64 0.20 -2.96 3.16 -1.04 -1.22 -5.02 114.28 103.76 1qhu n THR 151 Ca -0.20 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.05 61.17 1qhu n THR 151 Cb 1.09 -0.11 0.05 0.00 -1.82 0.00 0.00 70.33 69.54 1qhu n THR 151 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qhu n GLY 152 N 1.25 0.04 3.22 3.41 0.00 0.10 -5.04 105.19 108.17 1qhu n GLY 152 Ca -0.03 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1qhu n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qhu s THR 153 N -3.19 1.06 0.03 2.61 2.01 -1.21 -4.97 115.64 111.98 1qhu s THR 153 Ca 0.16 -1.88 0.06 0.00 0.31 0.00 0.00 61.69 60.33 1qhu s THR 153 Cb -0.07 -1.65 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1qhu s THR 153 CO 0.42 -0.67 -0.18 -1.59 -0.69 0.00 0.00 174.62 171.91 1qhu s LYS 154 N -3.36 1.24 -0.07 4.92 -2.85 -1.26 -1.06 119.74 117.31 1qhu s LYS 154 Ca 0.12 -0.79 -0.01 0.00 -1.00 0.00 0.00 55.97 54.29 1qhu s LYS 154 Cb 0.00 -1.28 0.03 0.00 -2.06 0.00 0.00 37.83 34.52 1qhu s LYS 154 CO 0.00 0.33 -0.01 0.15 0.10 0.00 0.00 175.35 175.92 1qhu s LYS 155 N -0.94 0.73 -0.12 1.78 3.01 -0.91 -4.99 119.74 118.30 1qhu s LYS 155 Ca 0.05 0.04 -0.28 0.00 -1.01 0.00 0.00 55.97 54.77 1qhu s LYS 155 Cb -0.08 -1.00 -0.01 0.00 -1.01 0.00 0.00 37.83 35.73 1qhu s LYS 155 CO 0.01 -0.26 0.93 -2.00 0.51 0.00 0.00 175.35 174.54 1qhu s GLU 156 N 1.74 4.38 -0.01 1.68 2.12 -1.26 -0.97 118.70 126.39 1qhu s GLU 156 Ca 0.02 1.24 -0.14 0.00 0.36 0.00 0.00 54.97 56.44 1qhu s GLU 156 Cb -0.13 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.66 1qhu s GLU 156 CO -0.05 -0.29 0.40 1.03 -0.54 0.00 0.00 175.26 175.81 1qhu s ARG 157 N 1.98 3.90 -0.86 4.30 3.00 0.45 -4.97 118.95 126.75 1qhu s ARG 157 Ca 0.44 0.39 -0.09 0.00 0.00 0.00 0.00 55.73 56.47 1qhu s ARG 157 Cb -0.18 -3.22 0.22 0.00 0.00 0.00 0.00 34.95 31.77 1qhu s ARG 157 CO 0.16 0.69 0.78 0.45 0.00 0.00 0.00 175.30 177.39 1qhu s SER 158 N -1.06 6.49 -0.56 0.23 0.15 -1.26 -4.31 113.70 113.38 1qhu s SER 158 Ca 0.23 -3.07 -0.00 0.00 0.70 0.00 0.00 55.95 53.81 1qhu s SER 158 Cb -0.16 -2.10 0.14 0.00 -1.71 0.00 0.00 66.02 62.19 1qhu s SER 158 CO 0.13 -0.41 0.35 0.26 1.20 0.00 0.00 173.24 174.76 1qhu s TRP 159 N -0.42 3.37 0.13 3.44 0.51 -1.26 -4.97 118.94 119.75 1qhu s TRP 159 Ca 0.22 -2.85 0.34 0.00 -2.12 0.00 0.00 56.10 51.69 1qhu s TRP 159 Cb -0.12 -3.07 1.49 0.00 -0.81 0.00 0.00 33.47 30.97 1qhu s TRP 159 CO -0.08 -0.82 2.02 -1.00 -0.51 0.00 0.00 176.95 176.55 1qhu h PRO 160 N 6.96 0.00 0.00 4.98 0.13 -1.94 -3.20 132.00 138.93 1qhu h PRO 160 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1qhu h PRO 160 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1qhu h PRO 160 CO 0.69 0.00 -0.95 0.00 -0.23 0.00 0.00 178.00 177.52 1qhu n ALA 161 N -2.06 2.64 -2.71 -0.56 0.00 -1.26 -4.66 120.51 111.90 1qhu n ALA 161 Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.76 1qhu n ALA 161 Cb 0.26 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1qhu n ALA 161 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qhu s VAL 162 N -3.32 5.24 0.00 0.00 1.01 -1.21 -4.91 120.40 117.21 1qhu s VAL 162 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1qhu s VAL 162 Cb 0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1qhu s VAL 162 CO 0.78 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1qhu n GLY 163 N 5.19 -2.64 3.13 4.51 0.00 -1.26 -4.94 105.19 109.17 1qhu n GLY 163 Ca -0.12 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1qhu n GLY 163 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qhu s ASN 164 N -2.18 5.26 0.10 1.61 -0.87 -1.26 -4.64 114.94 112.96 1qhu s ASN 164 Ca 0.00 -2.00 -0.26 0.00 -1.57 0.00 0.00 52.86 49.04 1qhu s ASN 164 Cb 0.00 -1.83 -0.07 0.00 -0.02 0.00 0.00 41.25 39.33 1qhu s ASN 164 CO 0.00 -0.54 0.79 0.00 -2.57 0.00 0.00 177.10 174.78 1qhu n THR 166 N 2.30 0.00 -3.70 0.00 -2.24 0.08 -4.52 114.28 106.20 1qhu n THR 166 Ca -0.03 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 1qhu n THR 166 Cb 0.49 0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1qhu n THR 166 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qhu s SER 167 N -2.97 -0.15 0.08 3.42 1.04 -1.25 -4.37 113.70 109.52 1qhu s SER 167 Ca 0.11 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 1qhu s SER 167 Cb 0.17 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1qhu s SER 167 CO 0.75 -0.68 0.39 0.00 0.98 0.00 0.00 173.24 174.68 1qhu s ALA 168 N -2.98 -0.92 0.12 5.32 0.00 -1.26 -1.20 121.76 120.84 1qhu s ALA 168 Ca 0.12 0.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 1qhu s ALA 168 Cb 0.01 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.71 1qhu s ALA 168 CO -0.00 -0.54 0.63 -0.48 0.00 0.00 0.00 175.76 175.36 1qhu s LEU 169 N -2.42 -0.58 -0.25 0.00 0.05 -0.62 -4.42 118.68 110.44 1qhu s LEU 169 Ca -0.01 0.12 -0.07 0.00 0.05 0.00 0.00 54.13 54.21 1qhu s LEU 169 Cb 0.01 2.56 -0.03 0.00 -2.05 0.00 0.00 46.19 46.68 1qhu s LEU 169 CO -0.07 -0.90 0.07 -0.60 -0.55 0.00 0.00 176.35 174.30 1qhu s ARG 170 N -3.30 3.66 -0.10 1.48 3.52 -1.26 -0.86 118.95 122.10 1qhu s ARG 170 Ca -0.01 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1qhu s ARG 170 Cb -0.01 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1qhu s ARG 170 CO -0.09 -0.18 -0.06 -0.46 -0.81 0.00 0.00 175.30 173.70 1qhu s TRP 171 N 1.60 1.24 -1.44 5.12 -0.00 -0.07 -4.81 118.94 120.58 1qhu s TRP 171 Ca 0.06 -0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 55.49 1qhu s TRP 171 Cb -0.15 -1.09 0.08 0.00 -0.00 0.00 0.00 33.47 32.31 1qhu s TRP 171 CO 0.04 -0.44 0.69 1.28 -0.00 0.00 0.00 176.95 178.52 1qhu n LEU 172 N 4.88 -1.97 0.00 5.86 4.77 -1.26 -1.85 117.00 127.43 1qhu n LEU 172 Ca -0.12 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1qhu n LEU 172 Cb 0.50 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 1qhu n LEU 172 CO 0.16 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1qhu n GLY 173 N -1.39 0.70 3.50 -0.72 0.00 -1.26 -5.03 105.19 100.99 1qhu n GLY 173 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1qhu n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qhu s ARG 174 N -0.39 2.08 -0.18 1.61 0.52 -0.77 -5.07 118.95 116.75 1qhu s ARG 174 Ca 0.00 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1qhu s ARG 174 Cb 0.00 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1qhu s ARG 174 CO 0.00 0.53 -0.05 0.71 0.02 0.00 0.00 175.30 176.51 1qhu s TYR 175 N -1.02 2.96 0.04 -0.53 1.51 -1.26 -0.89 117.35 118.17 1qhu s TYR 175 Ca 0.17 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1qhu s TYR 175 Cb -0.11 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1qhu s TYR 175 CO 0.08 -0.28 -0.19 0.71 -1.11 0.00 0.00 175.55 174.75 1qhu s TYR 176 N 0.87 1.70 -0.23 2.71 2.02 -0.04 -1.98 117.35 122.40 1qhu s TYR 176 Ca -0.01 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1qhu s TYR 176 Cb -0.15 -1.01 0.05 0.00 -0.40 0.00 0.00 41.96 40.46 1qhu s TYR 176 CO 0.01 0.09 -0.08 0.00 -1.57 0.00 0.00 175.55 174.00 1qhu s PHE 178 N 1.34 3.82 -0.53 0.00 0.40 -0.34 -1.36 117.98 121.31 1qhu s PHE 178 Ca -0.05 1.47 0.06 0.00 -0.60 0.00 0.00 56.93 57.82 1qhu s PHE 178 Cb -0.18 -2.71 0.23 0.00 0.51 0.00 0.00 43.02 40.87 1qhu s PHE 178 CO -0.07 0.45 0.59 1.04 0.70 0.00 0.00 175.22 177.94 1qhu n GLN 179 N 2.04 1.54 0.00 0.44 6.02 0.14 -0.74 117.38 126.82 1qhu n GLN 179 Ca -0.06 -3.96 0.00 0.00 -0.01 0.00 0.00 57.00 52.97 1qhu n GLN 179 Cb 0.50 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1qhu n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qhu n GLY 180 N 1.39 2.03 0.93 1.08 0.00 -1.26 -1.80 105.19 107.56 1qhu n GLY 180 Ca 0.26 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1qhu n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qhu n ASN 181 N 8.30 2.74 -4.77 1.61 3.02 -1.20 -4.53 115.26 120.43 1qhu n ASN 181 Ca 0.00 -1.93 -0.22 0.00 -0.03 0.00 0.00 54.58 52.39 1qhu n ASN 181 Cb 0.00 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 1qhu n ASN 181 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qhu s GLN 182 N -1.45 2.72 -0.04 3.52 -0.21 -0.74 -0.54 119.66 122.92 1qhu s GLN 182 Ca 0.36 -1.18 -0.14 0.00 0.02 0.00 0.00 55.36 54.42 1qhu s GLN 182 Cb 0.19 -2.43 0.03 0.00 1.00 0.00 0.00 33.01 31.79 1qhu s GLN 182 CO 0.27 0.38 0.32 -0.59 -2.12 0.00 0.00 175.29 173.55 1qhu s PHE 183 N -2.20 -0.22 0.09 0.91 -0.71 -0.93 0.24 117.98 115.16 1qhu s PHE 183 Ca 0.33 0.41 0.10 0.00 -1.04 0.00 0.00 56.93 56.72 1qhu s PHE 183 Cb -0.07 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1qhu s PHE 183 CO 0.23 -0.35 -0.25 -0.51 -1.34 0.00 0.00 175.22 173.00 1qhu s LEU 184 N -1.02 2.35 -0.03 -1.99 1.43 -0.46 -2.95 118.68 116.00 1qhu s LEU 184 Ca -0.11 -0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1qhu s LEU 184 Cb -0.05 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1qhu s LEU 184 CO 0.04 0.21 0.16 -0.60 0.23 0.00 0.00 176.35 176.39 1qhu s ARG 185 N -1.75 3.39 0.09 1.70 3.52 -1.26 -1.96 118.95 122.68 1qhu s ARG 185 Ca 0.14 -0.31 -0.08 0.00 -0.13 0.00 0.00 55.73 55.35 1qhu s ARG 185 Cb -0.10 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 1qhu s ARG 185 CO 0.05 0.69 0.17 -0.59 -0.81 0.00 0.00 175.30 174.81 1qhu s PHE 186 N -1.26 0.21 -0.32 5.12 -0.71 -0.84 -4.08 117.98 116.11 1qhu s PHE 186 Ca 0.25 -0.65 -0.17 0.00 -1.04 0.00 0.00 56.93 55.32 1qhu s PHE 186 Cb -0.12 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 1qhu s PHE 186 CO 0.16 -0.54 0.45 1.21 -1.34 0.00 0.00 175.22 175.16 1qhu s ASN 187 N -2.87 6.29 0.00 1.98 3.84 -0.93 -4.28 114.94 118.97 1qhu s ASN 187 Ca 0.06 0.07 0.08 0.00 0.21 0.00 0.00 52.86 53.28 1qhu s ASN 187 Cb 0.05 -2.24 0.46 0.00 -0.55 0.00 0.00 41.25 38.97 1qhu s ASN 187 CO -0.10 -0.36 0.87 -0.81 -2.79 0.00 0.00 177.10 173.90 1qhu n PRO 188 N 5.56 0.36 -0.03 0.43 -0.04 -1.26 -0.68 135.00 139.33 1qhu n PRO 188 Ca -0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1qhu n PRO 188 Cb 0.49 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1qhu n PRO 188 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1qhu n VAL 189 N -0.83 0.36 -0.03 0.52 0.31 -1.26 -4.86 118.33 112.54 1qhu n VAL 189 Ca 0.06 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1qhu n VAL 189 Cb 0.03 -1.20 -0.14 0.00 -0.91 0.00 0.00 33.84 31.62 1qhu n VAL 189 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qhu n SER 190 N -3.02 1.01 0.00 4.52 3.41 -1.20 -5.00 113.62 113.34 1qhu n SER 190 Ca -0.12 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1qhu n SER 190 Cb 0.60 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1qhu n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qhu n GLY 191 N 1.70 0.81 3.73 5.00 0.00 0.14 -4.89 105.19 111.69 1qhu n GLY 191 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1qhu n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qhu s GLU 192 N -0.36 4.64 -0.19 1.61 2.02 -1.26 -4.29 118.70 120.87 1qhu s GLU 192 Ca 0.00 1.60 -0.03 0.00 0.02 0.00 0.00 54.97 56.57 1qhu s GLU 192 Cb 0.00 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1qhu s GLU 192 CO 0.00 0.13 -0.07 0.08 0.02 0.00 0.00 175.26 175.41 1qhu s VAL 193 N -0.10 3.23 0.77 2.63 1.01 -1.26 -2.18 120.40 124.50 1qhu s VAL 193 Ca 0.49 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1qhu s VAL 193 Cb -0.27 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.74 1qhu s VAL 193 CO 0.32 0.46 1.16 -2.84 0.00 0.00 0.00 175.10 174.20 1qhu s PRO 194 N 1.13 1.98 0.55 2.72 0.02 -1.26 -4.95 135.00 135.18 1qhu s PRO 194 Ca 0.01 1.56 -0.21 0.00 0.02 0.00 0.00 61.00 62.38 1qhu s PRO 194 Cb -0.14 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1qhu s PRO 194 CO -0.02 -1.92 1.22 -0.35 -0.33 0.00 0.00 177.00 175.61 1qhu n PRO 195 N -3.18 1.44 0.00 5.54 -0.04 -1.26 -3.69 135.00 133.81 1qhu n PRO 195 Ca 0.12 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1qhu n PRO 195 Cb 0.51 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1qhu n PRO 195 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qhu n GLY 196 N 0.94 0.61 3.76 0.55 0.00 -1.26 -5.11 105.19 104.68 1qhu n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1qhu n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhu s TYR 197 N -2.00 3.12 0.54 1.61 2.02 -1.24 -4.59 117.35 116.80 1qhu s TYR 197 Ca 0.00 0.01 -0.08 0.00 -0.37 0.00 0.00 57.07 56.63 1qhu s TYR 197 Cb 0.00 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 1qhu s TYR 197 CO 0.00 0.51 0.90 -1.25 -1.57 0.00 0.00 175.55 174.14 1qhu s PRO 198 N -2.65 3.59 0.35 -1.71 0.04 -1.26 -5.06 135.00 128.29 1qhu s PRO 198 Ca 0.29 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.87 1qhu s PRO 198 Cb -0.11 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1qhu s PRO 198 CO 0.22 -0.36 -0.01 -0.51 0.04 0.00 0.00 177.00 176.38 1qhu s LEU 199 N -4.86 2.57 -0.12 -3.56 1.02 -1.15 -4.94 118.68 107.63 1qhu s LEU 199 Ca 0.51 -1.31 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 1qhu s LEU 199 Cb -0.11 -0.71 -0.05 0.00 0.02 0.00 0.00 46.19 45.35 1qhu s LEU 199 CO 0.48 -0.43 0.34 -0.62 0.02 0.00 0.00 176.35 176.14 1qhu s ASP 200 N -3.57 6.55 0.28 2.29 -1.08 -1.26 -2.19 116.67 117.68 1qhu s ASP 200 Ca 0.34 0.65 0.02 0.00 -0.52 0.00 0.00 52.55 53.03 1qhu s ASP 200 Cb 0.07 -2.21 0.64 0.00 -1.46 0.00 0.00 42.92 39.96 1qhu s ASP 200 CO 0.16 0.13 1.73 0.58 0.52 0.00 0.00 175.17 178.29 1qhu h VAL 201 N 4.50 0.62 0.00 1.11 2.07 -1.14 -2.03 116.25 121.38 1qhu h VAL 201 Ca -0.44 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1qhu h VAL 201 Cb 1.18 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1qhu h VAL 201 CO 0.72 0.10 0.00 0.54 0.02 0.00 0.00 177.57 178.95 1qhu n ARG 202 N -4.94 0.11 -0.03 1.57 1.74 -1.26 -1.03 116.66 112.83 1qhu n ARG 202 Ca 0.20 0.43 -0.01 0.00 -0.77 0.00 0.00 57.85 57.69 1qhu n ARG 202 Cb 0.54 -1.75 -0.13 0.00 -1.02 0.00 0.00 32.46 30.10 1qhu n ARG 202 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qhu n ASP 203 N -1.98 0.37 -0.03 0.55 8.00 -0.77 -4.11 116.55 118.59 1qhu n ASP 203 Ca 0.02 0.16 -0.06 0.00 0.71 0.00 0.00 54.79 55.62 1qhu n ASP 203 Cb 0.15 0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 1qhu n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qhu n TYR 204 N -2.71 0.00 0.05 1.24 4.02 -1.03 -3.34 117.16 115.39 1qhu n TYR 204 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.84 1qhu n TYR 204 Cb 0.90 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.92 1qhu n TYR 204 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1qhu n PHE 205 N -3.16 0.54 -4.90 -0.72 3.72 -0.20 -4.91 117.46 107.84 1qhu n PHE 205 Ca -0.12 0.16 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 1qhu n PHE 205 Cb 0.59 -0.76 -0.15 0.00 -0.94 0.00 0.00 39.48 38.23 1qhu n PHE 205 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qhu s LEU 206 N -4.99 2.15 -0.47 4.37 1.02 -1.07 -4.22 118.68 115.47 1qhu s LEU 206 Ca -0.04 -0.56 -0.20 0.00 0.02 0.00 0.00 54.13 53.36 1qhu s LEU 206 Cb 0.11 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 45.14 1qhu s LEU 206 CO 0.84 0.25 0.63 -0.44 0.02 0.00 0.00 176.35 177.65 1qhu s SER 207 N -1.14 6.26 -0.07 2.29 0.01 -0.80 -4.33 113.70 115.92 1qhu s SER 207 Ca 0.11 -0.63 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1qhu s SER 207 Cb -0.10 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 1qhu s SER 207 CO 0.02 -0.83 -0.24 0.00 0.41 0.00 0.00 173.24 172.60 1qhu n PRO 209 N 3.22 2.23 -1.01 0.00 -0.02 -1.26 -0.12 135.00 138.04 1qhu n PRO 209 Ca -0.18 0.82 -0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1qhu n PRO 209 Cb 0.52 -2.67 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1qhu n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qhu n GLY 210 N 4.43 0.47 3.29 -1.23 0.00 -1.26 -5.02 105.19 105.87 1qhu n GLY 210 Ca 0.22 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1qhu n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qhu s ARG 211 N -0.51 1.18 0.00 1.61 0.52 0.83 -5.12 118.95 117.46 1qhu s ARG 211 Ca 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1qhu s ARG 211 Cb 0.00 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.48 1qhu s ARG 211 CO 0.00 0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1qhu n GLY 212 N 0.01 -1.09 3.14 -3.53 0.00 -1.26 -4.57 105.19 97.89 1qhu n GLY 212 Ca -0.11 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 1qhu n GLY 212 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qhu s HIS 213 N -2.88 -0.35 0.00 1.61 -3.43 -1.21 -4.80 115.29 104.23 1qhu s HIS 213 Ca 0.00 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.08 1qhu s HIS 213 Cb 0.00 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1qhu s HIS 213 CO 0.00 -0.20 0.00 -2.13 -2.00 0.00 0.00 174.74 170.41 1qhu n ARG 214 N 3.55 0.00 -2.65 -0.38 3.00 -1.26 -5.12 116.66 113.81 1qhu n ARG 214 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.56 1qhu n ARG 214 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.05 1qhu n ARG 214 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1qhu n SER 215 N -0.07 1.90 0.00 6.15 7.64 -1.26 -5.13 113.62 122.86 1qhu n SER 215 Ca 0.00 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.11 1qhu n SER 215 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1qhu n SER 215 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1qhu n HIS 222 N -0.18 0.00 0.00 1.43 -0.00 -1.26 -5.22 115.22 109.99 1qhu n HIS 222 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1qhu n HIS 222 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.79 1qhu n HIS 222 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qhu n GLY 223 N 0.00 2.69 0.19 1.57 0.00 -1.26 -4.94 105.19 103.45 1qhu n GLY 223 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1qhu n GLY 223 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1qhu h HIS 224 N 0.00 0.96 0.00 1.61 6.17 -2.01 -3.36 115.15 118.52 1qhu h HIS 224 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 60.37 60.60 1qhu h HIS 224 Cb 0.00 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.80 1qhu h HIS 224 CO 0.00 1.31 0.00 -1.91 0.71 0.00 0.00 177.93 178.04 1qhu n GLU 225 N -3.98 0.08 0.00 5.26 4.07 -1.26 -0.61 120.64 124.21 1qhu n GLU 225 Ca -0.09 0.46 0.12 0.00 -0.06 0.00 0.00 57.16 57.58 1qhu n GLU 225 Cb 0.78 -1.71 0.14 0.00 -0.06 0.00 0.00 31.44 30.59 1qhu n GLU 225 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1qhu n SER 226 N -1.88 1.18 0.16 4.31 3.41 -1.26 -3.29 113.62 116.25 1qhu n SER 226 Ca 0.01 -0.95 0.03 0.00 -0.26 0.00 0.00 58.87 57.70 1qhu n SER 226 Cb 0.11 0.44 0.19 0.00 -0.26 0.00 0.00 64.21 64.68 1qhu n SER 226 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qhu h THR 227 N 1.03 1.01 -0.74 6.66 2.02 -1.07 -3.35 112.91 118.46 1qhu h THR 227 Ca 0.00 -1.95 0.12 0.00 0.77 0.00 0.00 66.41 65.34 1qhu h THR 227 Cb 0.57 2.18 -0.12 0.00 -1.74 0.00 0.00 68.15 69.04 1qhu h THR 227 CO 0.00 0.48 -0.28 -1.14 0.37 0.00 0.00 175.52 174.96 1qhu n ARG 228 N -3.45 -0.16 -0.87 6.66 0.63 -1.21 -0.01 116.66 118.25 1qhu n ARG 228 Ca 0.00 1.14 -0.07 0.00 -0.92 0.00 0.00 57.85 58.00 1qhu n ARG 228 Cb 0.62 -1.70 0.20 0.00 0.45 0.00 0.00 32.46 32.04 1qhu n ARG 228 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1qhu s ASP 230 N -2.24 6.87 0.55 0.00 -1.08 0.98 -4.94 116.67 116.82 1qhu s ASP 230 Ca 0.47 1.07 0.24 0.00 -0.52 0.00 0.00 52.55 53.81 1qhu s ASP 230 Cb 0.42 -2.43 1.48 0.00 -1.46 0.00 0.00 42.92 40.93 1qhu s ASP 230 CO 0.03 -0.39 2.08 -0.65 0.52 0.00 0.00 175.17 176.76 1qhu h PRO 231 N 7.43 0.00 -0.67 4.34 0.11 -1.92 -2.22 132.00 139.08 1qhu h PRO 231 Ca -0.29 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1qhu h PRO 231 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1qhu h PRO 231 CO 0.83 0.00 0.12 -0.25 -0.21 0.00 0.00 178.00 178.49 1qhu n ASP 232 N -4.18 5.30 -4.73 -2.05 8.00 -1.26 -4.75 116.55 112.88 1qhu n ASP 232 Ca 0.03 -3.03 -0.42 0.00 0.71 0.00 0.00 54.79 52.08 1qhu n ASP 232 Cb 0.35 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 1qhu n ASP 232 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1qhu s LEU 233 N -2.80 4.39 -0.19 0.64 2.96 -0.84 -5.01 118.68 117.85 1qhu s LEU 233 Ca 0.54 2.49 -0.01 0.00 -0.22 0.00 0.00 54.13 56.92 1qhu s LEU 233 Cb 0.42 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 1qhu s LEU 233 CO 0.15 -0.63 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.74 1qhu s VAL 234 N 0.34 2.86 0.23 1.68 1.01 -1.26 -4.57 120.40 120.68 1qhu s VAL 234 Ca 0.60 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1qhu s VAL 234 Cb -0.39 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1qhu s VAL 234 CO 0.38 0.48 0.44 -0.76 0.00 0.00 0.00 175.10 175.64 1qhu s LEU 235 N 1.15 4.18 0.00 3.92 1.43 -1.26 -4.67 118.68 123.43 1qhu s LEU 235 Ca 0.01 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1qhu s LEU 235 Cb -0.14 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1qhu s LEU 235 CO -0.04 -0.09 0.21 -1.54 0.23 0.00 0.00 176.35 175.12 1qhu n SER 236 N -0.74 0.42 -3.59 2.29 3.41 0.72 -4.76 113.62 111.38 1qhu n SER 236 Ca -0.04 -0.71 -0.06 0.00 -0.26 0.00 0.00 58.87 57.80 1qhu n SER 236 Cb 0.54 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 1qhu n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qhu s ALA 237 N -0.44 -1.81 -0.03 7.33 0.00 -1.24 -4.11 121.76 121.44 1qhu s ALA 237 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.65 1qhu s ALA 237 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1qhu s ALA 237 CO 0.00 -0.81 0.20 -1.64 0.00 0.00 0.00 175.76 173.51 1qhu s MET 238 N -3.08 0.42 0.10 0.00 1.00 -1.26 -0.78 119.30 115.70 1qhu s MET 238 Ca 0.08 -0.08 -0.19 0.00 0.00 0.00 0.00 55.69 55.51 1qhu s MET 238 Cb -0.01 0.19 0.04 0.00 0.00 0.00 0.00 34.83 35.05 1qhu s MET 238 CO -0.05 -0.09 0.45 0.08 0.00 0.00 0.00 175.02 175.41 1qhu s VAL 239 N -0.76 0.05 -0.11 -6.03 1.01 -1.03 -4.42 120.40 109.10 1qhu s VAL 239 Ca -0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1qhu s VAL 239 Cb -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1qhu s VAL 239 CO 0.02 -0.23 0.15 -0.55 0.00 0.00 0.00 175.10 174.48 1qhu s SER 240 N -2.47 1.16 0.94 3.32 0.15 -1.26 -0.73 113.70 114.81 1qhu s SER 240 Ca -0.01 0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.56 1qhu s SER 240 Cb 0.01 0.16 0.21 0.00 -1.71 0.00 0.00 66.02 64.68 1qhu s SER 240 CO -0.08 -0.28 1.28 1.51 1.20 0.00 0.00 173.24 176.88 1qhu s ASP 241 N 2.26 3.14 0.00 5.45 1.47 0.73 -4.72 116.67 125.00 1qhu s ASP 241 Ca 0.04 0.05 0.16 0.00 1.18 0.00 0.00 52.55 53.97 1qhu s ASP 241 Cb -0.13 -0.07 0.72 0.00 -0.34 0.00 0.00 42.92 43.10 1qhu s ASP 241 CO -0.07 -2.70 1.47 -0.46 0.68 0.00 0.00 175.17 174.09 1qhu n ASN 242 N -3.66 0.00 -0.00 2.11 0.23 -1.26 -1.44 115.26 111.24 1qhu n ASN 242 Ca 0.16 0.29 0.10 0.00 -0.53 0.00 0.00 54.58 54.60 1qhu n ASN 242 Cb 0.59 -0.40 -0.13 0.00 -2.08 0.00 0.00 39.78 37.77 1qhu n ASN 242 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1qhu n HIS 243 N -1.40 0.00 0.00 -2.53 8.25 -1.26 -4.95 115.22 113.33 1qhu n HIS 243 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1qhu n HIS 243 Cb 0.15 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1qhu n HIS 243 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qhu n GLY 244 N 1.44 0.74 3.61 -1.41 0.00 -0.52 -5.04 105.19 104.01 1qhu n GLY 244 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1qhu n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhu s ALA 245 N -2.00 3.19 -0.18 4.61 0.00 -1.26 -4.75 121.76 121.37 1qhu s ALA 245 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 1qhu s ALA 245 Cb 0.00 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1qhu s ALA 245 CO 0.00 -2.11 0.00 0.99 0.00 0.00 0.00 175.76 174.64 1qhu s THR 246 N 5.01 4.14 0.23 0.00 2.01 -1.26 -0.19 115.64 125.58 1qhu s THR 246 Ca 0.60 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1qhu s THR 246 Cb -0.16 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1qhu s THR 246 CO 0.29 0.46 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.35 1qhu s TYR 247 N 0.58 1.62 -0.09 4.92 2.02 0.09 -0.83 117.35 125.65 1qhu s TYR 247 Ca -0.01 -0.87 -0.06 0.00 -0.37 0.00 0.00 57.07 55.76 1qhu s TYR 247 Cb -0.14 -0.93 0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1qhu s TYR 247 CO 0.02 0.03 0.22 0.54 -1.57 0.00 0.00 175.55 174.79 1qhu s VAL 248 N -3.33 -0.02 0.11 0.71 0.11 -0.88 -2.46 120.40 114.64 1qhu s VAL 248 Ca 0.28 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1qhu s VAL 248 Cb 0.05 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.53 1qhu s VAL 248 CO 0.09 0.03 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.51 1qhu s PHE 249 N 0.61 2.92 -0.29 1.54 0.40 0.04 -1.09 117.98 122.12 1qhu s PHE 249 Ca -0.04 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 1qhu s PHE 249 Cb -0.06 -1.48 0.18 0.00 0.51 0.00 0.00 43.02 42.17 1qhu s PHE 249 CO -0.03 0.48 0.52 0.45 0.70 0.00 0.00 175.22 177.33 1qhu s SER 250 N -2.44 -0.82 1.33 1.36 0.15 -0.23 -0.20 113.70 112.85 1qhu s SER 250 Ca 0.25 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1qhu s SER 250 Cb -0.11 1.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1qhu s SER 250 CO 0.18 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1qhu n GLY 251 N 5.40 2.20 1.09 9.45 0.00 -1.26 -1.93 105.19 120.14 1qhu n GLY 251 Ca 0.01 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1qhu n GLY 251 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qhu n SER 252 N 9.89 3.42 -4.47 1.61 2.88 -1.26 -4.27 113.62 121.42 1qhu n SER 252 Ca 0.00 -1.96 -0.30 0.00 -1.33 0.00 0.00 58.87 55.28 1qhu n SER 252 Cb 0.00 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 1qhu n SER 252 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qhu s HIS 253 N -1.28 1.81 0.10 0.66 0.09 -0.81 -1.36 115.29 114.49 1qhu s HIS 253 Ca 0.37 -1.12 -0.20 0.00 -0.00 0.00 0.00 55.06 54.12 1qhu s HIS 253 Cb 0.21 -1.41 0.05 0.00 -0.00 0.00 0.00 32.58 31.43 1qhu s HIS 253 CO 0.29 -0.02 0.48 1.52 -0.00 0.00 0.00 174.74 177.02 1qhu s TYR 254 N -3.02 -0.35 -0.05 1.40 1.13 -0.77 -1.06 117.35 114.63 1qhu s TYR 254 Ca 0.12 0.19 0.05 0.00 -1.41 0.00 0.00 57.07 56.02 1qhu s TYR 254 Cb 0.01 0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1qhu s TYR 254 CO 0.08 -0.70 -0.21 -1.58 -2.51 0.00 0.00 175.55 170.62 1qhu s TRP 255 N -3.25 2.05 -0.20 -3.49 0.51 -0.25 -1.55 118.94 112.76 1qhu s TRP 255 Ca -0.01 -0.61 -0.18 0.00 -2.12 0.00 0.00 56.10 53.18 1qhu s TRP 255 Cb 0.00 -1.36 -0.03 0.00 -0.81 0.00 0.00 33.47 31.27 1qhu s TRP 255 CO -0.08 -0.20 0.50 0.50 -0.51 0.00 0.00 176.95 177.17 1qhu s ARG 256 N -0.04 4.18 -0.09 4.98 3.52 -1.26 -2.08 118.95 128.17 1qhu s ARG 256 Ca -0.04 0.38 0.20 0.00 -0.13 0.00 0.00 55.73 56.14 1qhu s ARG 256 Cb -0.13 -3.56 -0.28 0.00 -1.56 0.00 0.00 34.95 29.42 1qhu s ARG 256 CO 0.03 -0.14 0.34 1.28 -0.81 0.00 0.00 175.30 176.00 1qhu n LEU 257 N 4.77 0.07 0.13 -0.88 4.77 -0.01 -4.55 117.00 121.30 1qhu n LEU 257 Ca -0.05 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1qhu n LEU 257 Cb 0.50 0.21 0.42 0.00 -2.33 0.00 0.00 43.42 42.23 1qhu n LEU 257 CO 0.42 0.21 0.88 -2.24 -1.33 0.00 0.00 177.39 175.32 1qhu h ASP 258 N 0.00 0.00 -0.45 -1.43 2.03 -1.88 -3.07 116.42 111.62 1qhu h ASP 258 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1qhu h ASP 258 Cb 1.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.05 1qhu h ASP 258 CO 0.02 0.00 0.00 0.35 -1.03 0.00 0.00 179.24 178.58 1qhu n THR 259 N -2.36 1.00 0.33 1.15 -2.24 -1.26 -4.68 114.28 106.22 1qhu n THR 259 Ca 0.04 -0.73 0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1qhu n THR 259 Cb 0.38 0.11 0.90 0.00 -2.10 0.00 0.00 70.33 69.62 1qhu n THR 259 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qhu h ASN 260 N 2.74 0.00 0.39 3.42 -1.07 -1.70 -0.50 115.58 118.87 1qhu h ASN 260 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 1qhu h ASN 260 Cb 0.90 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.14 1qhu h ASN 260 CO 0.10 0.00 -0.25 -0.09 0.07 0.00 0.00 177.43 177.26 1qhu h ARG 261 N 0.00 0.00 -0.19 4.14 9.65 -1.90 -2.93 114.38 123.16 1qhu h ARG 261 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1qhu h ARG 261 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1qhu h ARG 261 CO -0.00 0.25 0.00 -0.25 2.80 0.00 0.00 179.97 182.77 1qhu n ASP 262 N -3.93 2.61 0.00 -3.80 8.00 -0.20 -3.94 116.55 115.30 1qhu n ASP 262 Ca -0.02 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1qhu n ASP 262 Cb 0.33 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1qhu n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qhu n GLY 263 N 1.33 0.27 3.17 0.44 0.00 -1.11 -4.89 105.19 104.41 1qhu n GLY 263 Ca 0.17 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1qhu n GLY 263 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qhu s TRP 264 N -0.10 -0.18 0.00 1.61 0.52 -1.26 -4.16 118.94 115.37 1qhu s TRP 264 Ca 0.00 0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.50 1qhu s TRP 264 Cb 0.00 0.07 0.00 0.00 -1.15 0.00 0.00 33.47 32.39 1qhu s TRP 264 CO 0.00 -0.26 0.00 1.58 0.02 0.00 0.00 176.95 178.29 1qhu n HIS 265 N 2.05 0.00 -2.42 -1.98 -0.00 -1.26 -5.17 115.22 106.44 1qhu n HIS 265 Ca -0.18 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.71 1qhu n HIS 265 Cb 0.57 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1qhu n HIS 265 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1qhu s SER 266 N 0.00 6.32 0.08 0.26 1.04 -1.26 -4.66 113.70 115.48 1qhu s SER 266 Ca 0.00 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1qhu s SER 266 Cb 0.00 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1qhu s SER 266 CO 0.00 -0.64 -0.08 0.26 0.98 0.00 0.00 173.24 173.76 1qhu s TRP 267 N -2.81 0.88 0.45 5.02 0.52 -0.60 -4.92 118.94 117.48 1qhu s TRP 267 Ca 0.51 -0.71 -0.23 0.00 0.02 0.00 0.00 56.10 55.69 1qhu s TRP 267 Cb -0.10 -0.50 -0.08 0.00 -1.15 0.00 0.00 33.47 31.64 1qhu s TRP 267 CO 0.45 -0.09 1.15 -2.14 0.02 0.00 0.00 176.95 176.34 1qhu s PRO 268 N -2.84 3.82 0.46 4.98 0.02 -1.26 -1.85 135.00 138.32 1qhu s PRO 268 Ca 0.03 1.74 0.18 0.00 0.02 0.00 0.00 61.00 62.97 1qhu s PRO 268 Cb -0.02 -2.43 1.14 0.00 0.02 0.00 0.00 34.50 33.22 1qhu s PRO 268 CO -0.02 -0.49 1.96 0.82 -0.33 0.00 0.00 177.00 178.94 1qhu h ILE 269 N 1.92 0.81 0.00 2.83 2.04 -1.53 0.30 117.51 123.87 1qhu h ILE 269 Ca -0.49 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1qhu h ILE 269 Cb 1.24 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1qhu h ILE 269 CO 0.60 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.81 1qhu h ALA 270 N 1.69 1.00 -0.15 1.87 0.00 -1.85 -1.01 119.26 120.80 1qhu h ALA 270 Ca 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1qhu h ALA 270 Cb 0.81 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1qhu h ALA 270 CO -0.07 0.00 -0.51 0.45 0.00 0.00 0.00 179.25 179.11 1qhu h HIS 271 N 0.00 0.50 0.00 0.00 3.86 -1.29 -3.19 115.15 115.03 1qhu h HIS 271 Ca 0.00 -0.17 -0.32 0.00 -1.16 0.00 0.00 60.37 58.72 1qhu h HIS 271 Cb 0.26 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 1qhu h HIS 271 CO 0.00 0.84 -2.22 1.04 0.86 0.00 0.00 177.93 178.45 1qhu n GLN 272 N -3.96 1.00 -3.84 2.45 1.13 -0.91 -4.75 117.38 108.50 1qhu n GLN 272 Ca -0.02 0.02 -0.28 0.00 -1.94 0.00 0.00 57.00 54.77 1qhu n GLN 272 Cb 0.57 -1.45 -0.12 0.00 0.11 0.00 0.00 30.24 29.35 1qhu n GLN 272 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1qhu s TRP 273 N -2.43 3.10 0.33 1.08 0.51 -0.43 -4.42 118.94 116.68 1qhu s TRP 273 Ca -0.14 -3.13 0.14 0.00 -2.12 0.00 0.00 56.10 50.86 1qhu s TRP 273 Cb 0.06 -2.47 0.68 0.00 -0.81 0.00 0.00 33.47 30.93 1qhu s TRP 273 CO 0.67 -0.63 1.78 -1.00 -0.51 0.00 0.00 176.95 177.27 1qhu h PRO 274 N 5.74 0.00 -0.60 4.98 0.13 -1.75 -2.96 132.00 137.53 1qhu h PRO 274 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qhu h PRO 274 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1qhu h PRO 274 CO 0.66 0.41 0.00 1.04 -0.23 0.00 0.00 178.00 179.88 1qhu n GLN 275 N -3.94 2.73 -0.23 0.86 6.02 -1.26 -4.94 117.38 116.63 1qhu n GLN 275 Ca -0.02 -2.46 0.00 0.00 -0.01 0.00 0.00 57.00 54.51 1qhu n GLN 275 Cb 0.45 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1qhu n GLN 275 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qhu n GLY 276 N 1.33 -0.15 3.81 1.08 0.00 -1.12 -4.96 105.19 105.18 1qhu n GLY 276 Ca 0.21 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1qhu n GLY 276 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhu s PRO 277 N -1.81 2.35 0.44 1.61 0.04 -1.26 -4.98 135.00 131.38 1qhu s PRO 277 Ca 0.00 0.72 0.24 0.00 0.04 0.00 0.00 61.00 62.00 1qhu s PRO 277 Cb 0.00 -1.94 0.48 0.00 0.04 0.00 0.00 34.50 33.08 1qhu s PRO 277 CO 0.00 -1.45 1.66 0.66 0.04 0.00 0.00 177.00 177.91 1qhu h SER 278 N -0.97 0.00 -5.05 6.66 4.64 -1.98 -3.46 113.55 113.40 1qhu h SER 278 Ca -0.46 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.71 1qhu h SER 278 Cb 1.25 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.15 1qhu h SER 278 CO 0.59 0.00 -0.65 0.42 -0.87 0.00 0.00 176.83 176.32 1qhu s THR 279 N -3.25 0.13 -0.13 2.95 -4.23 -1.26 -4.25 115.64 105.60 1qhu s THR 279 Ca 0.07 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1qhu s THR 279 Cb 0.06 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.29 1qhu s THR 279 CO 0.65 -0.60 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.22 1qhu s VAL 280 N -2.11 2.11 -0.12 2.29 1.01 -1.26 -4.69 120.40 117.63 1qhu s VAL 280 Ca -0.10 -0.98 0.20 0.00 0.00 0.00 0.00 61.98 61.10 1qhu s VAL 280 Cb -0.05 -1.83 -0.23 0.00 0.00 0.00 0.00 36.38 34.27 1qhu s VAL 280 CO -0.03 0.55 0.50 0.47 0.00 0.00 0.00 175.10 176.59 1qhu n ASP 281 N 3.86 0.30 -3.53 3.32 8.00 -0.60 -4.23 116.55 123.66 1qhu n ASP 281 Ca -0.20 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 1qhu n ASP 281 Cb 0.52 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.69 1qhu n ASP 281 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhu s ALA 282 N -3.06 -1.85 0.02 2.24 0.00 -1.21 -4.02 121.76 113.87 1qhu s ALA 282 Ca -0.07 1.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 1qhu s ALA 282 Cb 0.10 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1qhu s ALA 282 CO 0.85 -0.49 0.42 0.00 0.00 0.00 0.00 175.76 176.54 1qhu s ALA 283 N -2.03 -1.05 0.20 0.00 0.00 -1.26 -1.79 121.76 115.83 1qhu s ALA 283 Ca -0.00 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 1qhu s ALA 283 Cb -0.01 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1qhu s ALA 283 CO -0.02 -0.41 0.84 -0.59 0.00 0.00 0.00 175.76 175.58 1qhu s PHE 284 N -2.09 -0.18 0.01 0.00 -0.71 -1.11 -4.44 117.98 109.45 1qhu s PHE 284 Ca -0.08 -0.18 0.03 0.00 -1.04 0.00 0.00 56.93 55.66 1qhu s PHE 284 Cb -0.02 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.44 1qhu s PHE 284 CO 0.00 -0.99 -0.08 -1.54 -1.34 0.00 0.00 175.22 171.27 1qhu s SER 285 N -2.90 0.95 -0.04 1.98 1.04 -1.26 -1.13 113.70 112.33 1qhu s SER 285 Ca 0.11 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 1qhu s SER 285 Cb -0.03 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1qhu s SER 285 CO 0.03 0.02 0.11 0.86 0.98 0.00 0.00 173.24 175.24 1qhu s TRP 286 N -0.50 -0.11 0.00 5.02 -0.00 -0.90 -4.74 118.94 117.71 1qhu s TRP 286 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 56.10 56.42 1qhu s TRP 286 Cb -0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 33.47 33.39 1qhu s TRP 286 CO 0.00 -0.09 0.00 0.39 -0.00 0.00 0.00 176.95 177.25 1qhu n GLU 287 N 3.54 0.00 -0.71 5.86 1.02 -1.26 0.13 120.64 129.22 1qhu n GLU 287 Ca -0.19 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1qhu n GLU 287 Cb 0.56 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.35 1qhu n GLU 287 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1qhu n ASP 288 N 3.62 5.08 -4.82 1.62 5.68 -1.26 -4.81 116.55 121.67 1qhu n ASP 288 Ca 0.00 -2.59 -0.28 0.00 -0.50 0.00 0.00 54.79 51.42 1qhu n ASP 288 Cb 0.00 -0.62 -0.05 0.00 -1.14 0.00 0.00 41.12 39.31 1qhu n ASP 288 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1qhu s LYS 289 N -2.12 3.01 -0.18 0.11 1.02 0.12 -3.33 119.74 118.36 1qhu s LYS 289 Ca 0.53 -0.74 -0.00 0.00 0.02 0.00 0.00 55.97 55.77 1qhu s LYS 289 Cb 0.36 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1qhu s LYS 289 CO 0.22 0.53 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.86 1qhu s LEU 290 N -2.83 2.41 -0.14 3.17 1.98 -0.64 -2.12 118.68 120.51 1qhu s LEU 290 Ca 0.31 -0.54 -0.04 0.00 -2.89 0.00 0.00 54.13 50.98 1qhu s LEU 290 Cb -0.11 -1.57 -0.03 0.00 0.66 0.00 0.00 46.19 45.14 1qhu s LEU 290 CO 0.24 0.02 -0.00 -0.31 -1.89 0.00 0.00 176.35 174.40 1qhu s TYR 291 N 1.21 3.12 -0.14 5.38 1.51 -0.28 -0.53 117.35 127.63 1qhu s TYR 291 Ca 0.02 -0.04 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1qhu s TYR 291 Cb -0.14 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1qhu s TYR 291 CO -0.07 0.19 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.87 1qhu s LEU 292 N -0.09 1.88 -0.11 -1.29 1.43 -0.67 -2.77 118.68 117.06 1qhu s LEU 292 Ca 0.04 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1qhu s LEU 292 Cb -0.13 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1qhu s LEU 292 CO 0.02 0.02 -0.01 -0.63 0.23 0.00 0.00 176.35 175.98 1qhu s ILE 293 N 1.09 4.21 -0.08 -0.59 1.01 -0.74 -0.82 121.20 125.27 1qhu s ILE 293 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 1qhu s ILE 293 Cb -0.14 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1qhu s ILE 293 CO -0.05 0.57 -0.03 -1.58 0.00 0.00 0.00 174.94 173.84 1qhu s GLN 294 N -0.48 0.97 0.82 2.79 0.74 -0.27 -1.56 119.66 122.68 1qhu s GLN 294 Ca 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1qhu s GLN 294 Cb -0.12 -1.15 0.00 0.00 1.10 0.00 0.00 33.01 32.84 1qhu s GLN 294 CO 0.02 -0.24 0.00 -0.40 -0.55 0.00 0.00 175.29 174.12 1qhu n ASP 295 N 4.84 0.00 -0.08 6.67 5.68 -1.26 -0.81 116.55 131.59 1qhu n ASP 295 Ca -0.12 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.24 1qhu n ASP 295 Cb 0.50 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.58 1qhu n ASP 295 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1qhu n THR 296 N 0.00 1.55 -4.17 2.12 -1.04 -1.25 -4.18 114.28 107.31 1qhu n THR 296 Ca 0.00 -1.82 -0.34 0.00 -2.04 0.00 0.00 64.05 59.85 1qhu n THR 296 Cb 0.00 -0.01 -0.10 0.00 -1.82 0.00 0.00 70.33 68.39 1qhu n THR 296 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1qhu s LYS 297 N -2.25 3.76 -0.11 -2.82 1.02 0.01 0.96 119.74 120.30 1qhu s LYS 297 Ca 0.23 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.84 1qhu s LYS 297 Cb 0.20 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 1qhu s LYS 297 CO 0.02 0.33 -0.20 0.08 -0.92 0.00 0.00 175.35 174.66 1qhu s VAL 298 N 0.17 2.42 -0.02 3.17 1.01 0.09 -1.12 120.40 126.12 1qhu s VAL 298 Ca 0.02 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1qhu s VAL 298 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1qhu s VAL 298 CO 0.01 0.55 -0.24 -0.31 0.00 0.00 0.00 175.10 175.11 1qhu s TYR 299 N 0.30 2.38 -0.07 5.22 1.51 -0.00 -1.18 117.35 125.51 1qhu s TYR 299 Ca -0.15 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1qhu s TYR 299 Cb -0.17 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1qhu s TYR 299 CO 0.07 -0.01 -0.23 0.08 -1.11 0.00 0.00 175.55 174.36 1qhu s VAL 300 N -0.63 1.89 -0.05 0.71 1.01 -1.26 -1.67 120.40 120.40 1qhu s VAL 300 Ca 0.10 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1qhu s VAL 300 Cb -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1qhu s VAL 300 CO -0.01 0.53 -0.25 -0.36 0.00 0.00 0.00 175.10 175.01 1qhu s PHE 301 N 0.05 2.39 0.57 5.22 0.40 0.31 -0.89 117.98 126.04 1qhu s PHE 301 Ca -0.08 -0.65 -0.17 0.00 -0.60 0.00 0.00 56.93 55.43 1qhu s PHE 301 Cb -0.15 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 1qhu s PHE 301 CO 0.05 -0.17 1.06 -0.51 0.70 0.00 0.00 175.22 176.35 1qhu s LEU 302 N -0.27 3.58 -0.18 -0.37 1.43 0.34 -1.62 118.68 121.59 1qhu s LEU 302 Ca -0.00 1.88 0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1qhu s LEU 302 Cb -0.13 -4.54 0.38 0.00 0.03 0.00 0.00 46.19 41.93 1qhu s LEU 302 CO 0.02 -1.12 1.20 0.35 0.23 0.00 0.00 176.35 177.03 1qhu n THR 303 N -1.79 2.04 0.00 5.49 -2.24 -1.21 -2.10 114.28 114.48 1qhu n THR 303 Ca 0.09 -2.87 0.00 0.00 -2.27 0.00 0.00 64.05 59.00 1qhu n THR 303 Cb 0.53 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1qhu n THR 303 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qhu n LYS 304 N -1.17 0.00 -3.81 -0.78 4.76 -1.26 -4.37 118.16 111.52 1qhu n LYS 304 Ca 0.18 0.21 -0.29 0.00 -2.87 0.00 0.00 58.31 55.54 1qhu n LYS 304 Cb 0.68 -1.17 -0.12 0.00 -1.84 0.00 0.00 35.03 32.58 1qhu n LYS 304 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1qhu s GLY 305 N -0.52 2.40 0.00 0.72 0.00 -1.26 -3.95 107.32 104.71 1qhu s GLY 305 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 44.72 41.39 1qhu s GLY 305 CO 0.00 1.28 0.00 0.61 0.00 0.00 0.00 173.10 174.99 1qhu n GLY 306 N 2.60 -1.80 3.43 0.20 0.00 -0.01 -4.87 105.19 104.74 1qhu n GLY 306 Ca 0.16 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1qhu n GLY 306 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhu s TYR 307 N 0.00 3.01 -0.13 1.61 2.02 -1.26 -4.19 117.35 118.42 1qhu s TYR 307 Ca 0.00 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.19 1qhu s TYR 307 Cb 0.00 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1qhu s TYR 307 CO 0.00 -0.27 -0.21 0.99 -1.57 0.00 0.00 175.55 174.49 1qhu s THR 308 N 1.01 2.25 0.07 -0.71 2.01 -0.89 -4.88 115.64 114.49 1qhu s THR 308 Ca 0.01 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 1qhu s THR 308 Cb -0.14 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 1qhu s THR 308 CO 0.01 0.54 1.44 -0.22 -0.69 0.00 0.00 174.62 175.70 1qhu s LEU 309 N 0.64 4.35 -0.06 4.42 2.96 -1.26 -0.50 118.68 129.22 1qhu s LEU 309 Ca -0.11 2.28 -0.30 0.00 -0.22 0.00 0.00 54.13 55.78 1qhu s LEU 309 Cb -0.16 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1qhu s LEU 309 CO 0.02 -0.72 1.26 -0.69 -1.32 0.00 0.00 176.35 174.91 1qhu s VAL 310 N 1.82 4.13 0.14 1.68 1.01 -0.07 -4.90 120.40 124.22 1qhu s VAL 310 Ca 0.66 1.45 -0.34 0.00 0.00 0.00 0.00 61.98 63.75 1qhu s VAL 310 Cb -0.35 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 31.94 1qhu s VAL 310 CO 0.29 -0.03 1.34 -3.20 0.00 0.00 0.00 175.10 173.50 1qhu n ASN 311 N 5.55 1.93 0.00 3.32 5.15 -1.26 -1.20 115.26 128.75 1qhu n ASN 311 Ca 0.12 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 1qhu n ASN 311 Cb 0.45 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1qhu n ASN 311 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qhu n GLY 312 N 2.48 0.68 3.98 8.20 0.00 -1.26 -5.10 105.19 114.16 1qhu n GLY 312 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1qhu n GLY 312 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qhu s TYR 313 N -2.49 3.31 0.66 1.61 2.02 -0.34 -4.56 117.35 117.55 1qhu s TYR 313 Ca 0.00 -0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.47 1qhu s TYR 313 Cb 0.00 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1qhu s TYR 313 CO 0.00 0.24 1.06 -1.25 -1.57 0.00 0.00 175.55 174.03 1qhu s PRO 314 N -4.07 3.05 0.08 -1.71 0.04 -1.26 -4.96 135.00 126.17 1qhu s PRO 314 Ca 0.39 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1qhu s PRO 314 Cb -0.09 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1qhu s PRO 314 CO 0.30 -1.01 -0.10 0.15 0.04 0.00 0.00 177.00 176.37 1qhu s LYS 315 N -4.62 0.75 0.25 4.56 1.02 -0.33 -4.88 119.74 116.49 1qhu s LYS 315 Ca 0.61 -1.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.27 1qhu s LYS 315 Cb -0.15 -0.50 -0.11 0.00 -0.52 0.00 0.00 37.83 36.54 1qhu s LYS 315 CO 0.47 0.09 1.61 1.03 -0.92 0.00 0.00 175.35 177.63 1qhu s ARG 316 N -2.31 4.15 0.22 1.68 1.81 -1.26 -0.73 118.95 122.51 1qhu s ARG 316 Ca 0.00 2.54 -0.18 0.00 -1.72 0.00 0.00 55.73 56.37 1qhu s ARG 316 Cb -0.06 -3.06 0.22 0.00 -0.45 0.00 0.00 34.95 31.60 1qhu s ARG 316 CO 0.00 -0.64 1.56 1.25 -0.68 0.00 0.00 175.30 176.80 1qhu h LEU 317 N 5.57 -1.34 -1.03 2.53 5.85 0.25 -1.02 115.31 126.12 1qhu h LEU 317 Ca -0.45 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1qhu h LEU 317 Cb 1.21 0.70 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1qhu h LEU 317 CO 0.85 -0.29 -0.08 1.05 -0.34 0.00 0.00 178.44 179.62 1qhu h GLU 318 N -0.04 0.00 0.03 1.25 4.11 -1.85 -0.62 114.58 117.46 1qhu h GLU 318 Ca 0.32 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.53 1qhu h GLU 318 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1qhu h GLU 318 CO -0.91 0.08 -1.02 -0.22 0.07 0.00 0.00 179.01 177.01 1qhu h LYS 319 N 0.00 0.08 0.06 1.06 3.64 -1.51 -1.38 116.57 118.52 1qhu h LYS 319 Ca -0.00 -0.12 -0.25 0.00 -1.27 0.00 0.00 60.65 59.01 1qhu h LYS 319 Cb 0.71 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1qhu h LYS 319 CO 0.01 1.03 -1.32 1.49 -2.27 0.00 0.00 179.45 178.39 1qhu h GLU 320 N 0.03 0.12 0.00 1.90 4.57 -1.04 -3.40 114.58 116.76 1qhu h GLU 320 Ca -0.04 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1qhu h GLU 320 Cb 1.76 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.42 1qhu h GLU 320 CO 0.14 1.10 -0.03 1.28 -1.18 0.00 0.00 179.01 180.33 1qhu n LEU 321 N -4.13 1.62 0.00 1.64 4.77 -0.26 -2.98 117.00 117.66 1qhu n LEU 321 Ca -0.28 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1qhu n LEU 321 Cb 0.79 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1qhu n LEU 321 CO 0.31 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1qhu n GLY 322 N -0.58 -1.83 2.89 -0.72 0.00 -0.52 -4.42 105.19 100.02 1qhu n GLY 322 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 1qhu n GLY 322 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhu s SER 323 N -4.00 0.22 0.45 1.61 0.15 -1.26 -3.95 113.70 106.92 1qhu s SER 323 Ca 0.00 -0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.38 1qhu s SER 323 Cb 0.00 -0.04 -0.09 0.00 -1.71 0.00 0.00 66.02 64.19 1qhu s SER 323 CO 0.00 0.01 1.25 -2.65 1.20 0.00 0.00 173.24 173.05 1qhu n PRO 324 N 3.12 1.80 0.28 5.44 -0.02 -1.26 -4.62 135.00 139.74 1qhu n PRO 324 Ca -0.13 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1qhu n PRO 324 Cb 0.59 -2.38 0.75 0.00 -0.02 0.00 0.00 33.50 32.43 1qhu n PRO 324 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qhu h PRO 325 N 1.85 0.00 0.00 0.52 0.13 -1.97 -3.31 132.00 129.22 1qhu h PRO 325 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1qhu h PRO 325 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1qhu h PRO 325 CO 0.59 0.07 -1.31 -0.39 -0.23 0.00 0.00 178.00 176.73 1qhu h VAL 326 N 0.00 0.63 -3.18 1.56 -1.51 -1.97 -3.49 116.25 108.29 1qhu h VAL 326 Ca -0.00 -2.16 -0.03 0.00 -1.23 0.00 0.00 66.70 63.28 1qhu h VAL 326 Cb 0.42 2.16 -0.12 0.00 -2.13 0.00 0.00 31.29 31.62 1qhu h VAL 326 CO 0.01 0.36 0.08 -0.63 -1.23 0.00 0.00 177.57 176.16 1qhu s ILE 327 N -2.88 0.03 -0.42 7.19 1.01 -1.25 -5.15 121.20 119.73 1qhu s ILE 327 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1qhu s ILE 327 Cb 0.08 -1.11 0.11 0.00 0.01 0.00 0.00 42.46 41.56 1qhu s ILE 327 CO 0.80 -0.14 0.22 -0.55 0.00 0.00 0.00 174.94 175.27 1qhu s SER 328 N -2.78 5.26 0.11 3.58 0.15 -1.26 -4.41 113.70 114.35 1qhu s SER 328 Ca 0.02 -2.09 -0.31 0.00 0.70 0.00 0.00 55.95 54.27 1qhu s SER 328 Cb 0.00 -1.83 -0.08 0.00 -1.71 0.00 0.00 66.02 62.40 1qhu s SER 328 CO -0.12 -0.53 1.44 -0.76 1.20 0.00 0.00 173.24 174.47 1qhu s LEU 329 N 1.06 4.36 0.01 3.45 1.43 -1.26 -4.92 118.68 122.81 1qhu s LEU 329 Ca 0.09 2.36 0.20 0.00 -1.03 0.00 0.00 54.13 55.76 1qhu s LEU 329 Cb -0.23 -3.58 -0.21 0.00 0.03 0.00 0.00 46.19 42.20 1qhu s LEU 329 CO -0.04 -0.71 0.60 -0.62 0.23 0.00 0.00 176.35 175.81 1qhu n GLU 330 N 4.22 0.65 -3.87 1.70 -0.58 -1.26 -4.99 120.64 116.51 1qhu n GLU 330 Ca 0.12 -0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.78 1qhu n GLU 330 Cb 0.42 -1.64 -0.02 0.00 -0.57 0.00 0.00 31.44 29.63 1qhu n GLU 330 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qhu s ALA 331 N -3.18 -1.03 0.08 0.62 0.00 -1.26 -3.89 121.76 113.10 1qhu s ALA 331 Ca -0.06 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1qhu s ALA 331 Cb 0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 24.04 1qhu s ALA 331 CO 0.85 -1.01 -0.06 0.54 0.00 0.00 0.00 175.76 176.08 1qhu s VAL 332 N -3.67 0.59 -0.08 0.00 0.11 -1.26 -4.90 120.40 111.19 1qhu s VAL 332 Ca 0.13 -1.73 0.09 0.00 -2.93 0.00 0.00 61.98 57.54 1qhu s VAL 332 Cb -0.05 -1.42 -0.13 0.00 -1.53 0.00 0.00 36.38 33.24 1qhu s VAL 332 CO 0.08 -0.79 0.08 0.47 -3.33 0.00 0.00 175.10 171.61 1qhu n ASP 333 N 0.30 2.54 -3.71 3.54 8.00 -0.67 -4.65 116.55 121.90 1qhu n ASP 333 Ca -0.15 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.27 1qhu n ASP 333 Cb 0.59 0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 42.60 1qhu n ASP 333 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qhu s ALA 334 N -2.36 -1.39 -0.03 2.24 0.00 -1.09 -3.66 121.76 115.46 1qhu s ALA 334 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1qhu s ALA 334 Cb 0.04 0.83 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1qhu s ALA 334 CO 0.42 -0.95 0.64 0.00 0.00 0.00 0.00 175.76 175.86 1qhu s ALA 335 N -3.79 -1.65 -0.20 0.00 0.00 -1.26 -1.99 121.76 112.87 1qhu s ALA 335 Ca 0.08 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1qhu s ALA 335 Cb -0.04 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1qhu s ALA 335 CO 0.00 -0.38 0.53 -0.59 0.00 0.00 0.00 175.76 175.32 1qhu s PHE 336 N -1.38 -0.60 -0.23 0.00 -0.12 -0.89 -4.35 117.98 110.41 1qhu s PHE 336 Ca -0.10 1.44 0.00 0.00 -0.05 0.00 0.00 56.93 58.22 1qhu s PHE 336 Cb -0.01 0.22 0.06 0.00 -0.63 0.00 0.00 43.02 42.66 1qhu s PHE 336 CO 0.08 -0.29 -0.04 0.08 -0.05 0.00 0.00 175.22 175.00 1qhu s VAL 337 N 0.38 1.42 0.25 -2.49 1.01 -1.26 -1.10 120.40 118.61 1qhu s VAL 337 Ca -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1qhu s VAL 337 Cb -0.04 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 1qhu s VAL 337 CO -0.01 -0.13 1.11 0.00 0.00 0.00 0.00 175.10 176.07 1qhu n PRO 339 N 1.58 1.39 -0.54 0.00 -0.04 -1.26 -2.01 135.00 134.11 1qhu n PRO 339 Ca 0.00 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1qhu n PRO 339 Cb 0.45 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1qhu n PRO 339 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qhu n GLY 340 N 3.13 0.75 3.75 0.55 0.00 -1.26 -5.06 105.19 107.05 1qhu n GLY 340 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1qhu n GLY 340 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qhu s SER 341 N -2.49 5.15 0.00 1.61 0.15 -0.85 -5.02 113.70 112.25 1qhu s SER 341 Ca 0.00 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1qhu s SER 341 Cb 0.00 -1.20 0.05 0.00 -1.71 0.00 0.00 66.02 63.16 1qhu s SER 341 CO 0.00 -0.01 0.82 -1.54 1.20 0.00 0.00 173.24 173.72 1qhu n SER 342 N -0.93 1.72 -4.64 5.45 3.41 -1.26 -4.83 113.62 112.55 1qhu n SER 342 Ca -0.08 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 1qhu n SER 342 Cb 0.58 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1qhu n SER 342 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qhu s ARG 343 N -0.61 4.12 0.08 4.33 0.52 -1.26 -0.20 118.95 125.93 1qhu s ARG 343 Ca 0.05 0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 56.00 1qhu s ARG 343 Cb 0.03 -3.68 -0.07 0.00 0.52 0.00 0.00 34.95 31.75 1qhu s ARG 343 CO 0.04 -0.64 0.56 -1.17 0.02 0.00 0.00 175.30 174.11 1qhu s LEU 344 N 3.06 4.50 -0.14 2.53 2.96 0.07 -4.48 118.68 127.18 1qhu s LEU 344 Ca 0.37 1.23 0.01 0.00 -0.22 0.00 0.00 54.13 55.53 1qhu s LEU 344 Cb -0.14 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.61 1qhu s LEU 344 CO 0.10 0.25 -0.18 -1.00 -1.32 0.00 0.00 176.35 174.20 1qhu s HIS 345 N -1.16 2.72 -0.03 5.38 3.76 -0.26 -2.10 115.29 123.60 1qhu s HIS 345 Ca 0.30 -1.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.10 1qhu s HIS 345 Cb -0.19 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.67 1qhu s HIS 345 CO 0.19 -0.50 -0.06 -1.50 -0.85 0.00 0.00 174.74 172.01 1qhu s ILE 346 N 0.74 0.63 -0.03 0.60 2.07 -0.71 -2.09 121.20 122.41 1qhu s ILE 346 Ca -0.08 -0.23 0.07 0.00 -1.41 0.00 0.00 60.65 59.00 1qhu s ILE 346 Cb -0.16 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 1qhu s ILE 346 CO 0.01 0.22 -0.25 -0.04 -1.91 0.00 0.00 174.94 172.96 1qhu s MET 347 N 0.52 2.22 -0.09 3.50 -1.94 -0.84 -2.09 119.30 120.57 1qhu s MET 347 Ca -0.07 -0.92 -0.04 0.00 -1.71 0.00 0.00 55.69 52.95 1qhu s MET 347 Cb -0.11 -2.08 0.05 0.00 2.01 0.00 0.00 34.83 34.70 1qhu s MET 347 CO 0.00 0.52 0.20 0.00 -0.01 0.00 0.00 175.02 175.73 1qhu s ALA 348 N -0.52 -0.36 0.00 3.03 0.00 0.19 -1.67 121.76 122.44 1qhu s ALA 348 Ca 0.07 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1qhu s ALA 348 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1qhu s ALA 348 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1qhu n GLY 349 N 4.81 3.51 1.47 0.00 0.00 -1.26 -1.03 105.19 112.69 1qhu n GLY 349 Ca -0.15 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1qhu n GLY 349 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qhu n ARG 350 N 14.00 3.61 -5.00 1.61 1.85 -1.15 -4.10 116.66 127.50 1qhu n ARG 350 Ca 0.00 -2.42 -0.32 0.00 -1.00 0.00 0.00 57.85 54.11 1qhu n ARG 350 Cb 0.00 -1.92 -0.14 0.00 -1.05 0.00 0.00 32.46 29.35 1qhu n ARG 350 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1qhu s ARG 351 N -2.05 2.31 -0.10 2.89 1.81 -0.20 -4.92 118.95 118.70 1qhu s ARG 351 Ca 0.43 -0.81 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 1qhu s ARG 351 Cb 0.30 -2.24 -0.00 0.00 -0.45 0.00 0.00 34.95 32.56 1qhu s ARG 351 CO 0.17 0.59 -0.24 -1.17 -0.68 0.00 0.00 175.30 173.97 1qhu s LEU 352 N -0.79 2.10 0.08 2.53 2.96 -1.26 -0.64 118.68 123.65 1qhu s LEU 352 Ca 0.11 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1qhu s LEU 352 Cb -0.10 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1qhu s LEU 352 CO 0.01 0.16 -0.09 0.26 -1.32 0.00 0.00 176.35 175.36 1qhu s TRP 353 N 0.34 0.93 0.10 5.38 0.51 -0.89 -1.20 118.94 124.11 1qhu s TRP 353 Ca -0.19 -0.62 0.08 0.00 -2.12 0.00 0.00 56.10 53.25 1qhu s TRP 353 Cb -0.18 -0.53 -0.04 0.00 -0.81 0.00 0.00 33.47 31.91 1qhu s TRP 353 CO 0.09 -0.04 -0.15 1.67 -0.51 0.00 0.00 176.95 178.01 1qhu s TRP 354 N -2.12 2.62 0.12 -1.98 1.48 -0.57 -1.73 118.94 116.76 1qhu s TRP 354 Ca 0.00 -0.22 -0.09 0.00 -1.06 0.00 0.00 56.10 54.73 1qhu s TRP 354 Cb -0.05 -1.40 -0.00 0.00 -1.16 0.00 0.00 33.47 30.86 1qhu s TRP 354 CO -0.00 0.38 0.24 -0.48 -4.06 0.00 0.00 176.95 173.03 1qhu s LEU 355 N -2.03 1.16 -0.23 -4.66 0.05 -0.89 -1.02 118.68 111.06 1qhu s LEU 355 Ca 0.19 -0.72 -0.07 0.00 0.05 0.00 0.00 54.13 53.58 1qhu s LEU 355 Cb -0.11 1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 45.16 1qhu s LEU 355 CO 0.10 -0.81 0.06 -0.62 -0.55 0.00 0.00 176.35 174.54 1qhu s ASP 356 N -2.90 5.18 0.61 1.48 -1.08 -1.26 -0.75 116.67 117.95 1qhu s ASP 356 Ca 0.10 -0.15 0.40 0.00 -0.52 0.00 0.00 52.55 52.38 1qhu s ASP 356 Cb 0.04 -1.92 2.13 0.00 -1.46 0.00 0.00 42.92 41.72 1qhu s ASP 356 CO -0.07 0.02 2.23 -0.07 0.52 0.00 0.00 175.17 177.81 1qhu h LEU 357 N 7.83 0.00 -1.12 -1.34 3.38 -0.96 -0.12 115.31 122.98 1qhu h LEU 357 Ca -0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1qhu h LEU 357 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1qhu h LEU 357 CO 0.60 0.00 -0.30 0.11 0.09 0.00 0.00 178.44 178.94 1qhu h LYS 358 N 0.00 0.24 0.00 1.13 1.57 -1.93 -3.04 116.57 114.53 1qhu h LYS 358 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1qhu h LYS 358 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qhu h LYS 358 CO 0.00 0.52 0.00 0.77 -0.57 0.00 0.00 179.45 180.17 1qhu h SER 359 N 0.21 0.00 0.00 0.86 0.02 -1.38 -3.49 113.55 109.77 1qhu h SER 359 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1qhu h SER 359 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1qhu h SER 359 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1qhu n GLY 360 N 0.34 3.21 0.29 -3.77 0.00 -1.15 -1.98 105.19 102.12 1qhu n GLY 360 Ca 0.02 -0.26 0.16 0.00 0.00 0.00 0.00 46.02 45.95 1qhu n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhu h ALA 361 N -0.97 1.20 -0.25 4.61 0.00 -1.75 -2.50 119.26 119.60 1qhu h ALA 361 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1qhu h ALA 361 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qhu h ALA 361 CO 0.00 0.07 0.04 1.04 0.00 0.00 0.00 179.25 180.40 1qhu n GLN 362 N -3.44 2.38 -1.91 0.00 3.00 -0.84 -3.51 117.38 113.06 1qhu n GLN 362 Ca -0.02 -1.23 -0.41 0.00 -0.01 0.00 0.00 57.00 55.33 1qhu n GLN 362 Cb 0.18 -1.75 -0.02 0.00 0.00 0.00 0.00 30.24 28.65 1qhu n GLN 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qhu s ALA 363 N -1.63 3.65 -0.33 -1.58 0.00 -0.94 -4.96 121.76 115.96 1qhu s ALA 363 Ca 0.22 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 1qhu s ALA 363 Cb 0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1qhu s ALA 363 CO 0.06 -0.86 0.28 0.99 0.00 0.00 0.00 175.76 176.23 1qhu s THR 364 N -0.24 5.25 -0.22 0.00 2.01 -1.26 -4.56 115.64 116.62 1qhu s THR 364 Ca 0.59 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1qhu s THR 364 Cb -0.44 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1qhu s THR 364 CO 0.48 -0.01 1.07 0.26 -0.69 0.00 0.00 174.62 175.74 1qhu s TRP 365 N 1.82 3.27 -0.24 4.92 0.52 -1.26 -4.45 118.94 123.52 1qhu s TRP 365 Ca 0.08 1.40 -0.09 0.00 0.02 0.00 0.00 56.10 57.51 1qhu s TRP 365 Cb -0.17 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.80 1qhu s TRP 365 CO 0.11 -0.66 0.13 0.99 0.02 0.00 0.00 176.95 177.54 1qhu s THR 366 N 3.24 5.02 -0.05 2.01 2.01 -0.19 -4.76 115.64 122.92 1qhu s THR 366 Ca 0.46 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 1qhu s THR 366 Cb -0.16 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1qhu s THR 366 CO 0.07 0.34 1.43 -0.70 -0.69 0.00 0.00 174.62 175.07 1qhu s GLU 367 N 1.24 4.25 0.11 4.92 2.12 -1.26 -1.50 118.70 128.57 1qhu s GLU 367 Ca 0.06 1.95 0.07 0.00 0.36 0.00 0.00 54.97 57.41 1qhu s GLU 367 Cb -0.14 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1qhu s GLU 367 CO 0.05 -0.67 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.53 1qhu s LEU 368 N 3.01 3.17 0.48 2.70 1.43 -0.34 -4.98 118.68 124.14 1qhu s LEU 368 Ca 0.64 -0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 1qhu s LEU 368 Cb -0.30 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1qhu s LEU 368 CO 0.25 0.16 1.04 -2.16 0.23 0.00 0.00 176.35 175.87 1qhu s PRO 369 N -2.34 3.85 0.23 1.29 0.04 -1.26 -4.45 135.00 132.35 1qhu s PRO 369 Ca 0.23 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 1qhu s PRO 369 Cb -0.11 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1qhu s PRO 369 CO 0.15 -0.40 0.62 1.67 0.04 0.00 0.00 177.00 179.09 1qhu s TRP 370 N -1.94 -0.19 -2.24 0.56 1.48 -1.26 -4.01 118.94 111.33 1qhu s TRP 370 Ca 0.66 -0.18 0.23 0.00 -1.06 0.00 0.00 56.10 55.75 1qhu s TRP 370 Cb -0.17 0.54 0.54 0.00 -1.16 0.00 0.00 33.47 33.22 1qhu s TRP 370 CO 0.21 -1.05 1.47 -0.35 -4.06 0.00 0.00 176.95 173.17 1qhu n PRO 371 N -0.40 2.58 -3.45 3.25 -0.04 -1.26 -4.96 135.00 130.71 1qhu n PRO 371 Ca -0.08 -2.42 -0.28 0.00 -0.04 0.00 0.00 63.50 60.68 1qhu n PRO 371 Cb 0.61 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1qhu n PRO 371 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1qhu s HIS 372 N -1.28 3.48 -0.23 0.54 3.76 -1.26 -4.86 115.29 115.45 1qhu s HIS 372 Ca 0.43 0.53 0.06 0.00 -0.15 0.00 0.00 55.06 55.93 1qhu s HIS 372 Cb 0.24 -2.01 -0.18 0.00 1.11 0.00 0.00 32.58 31.74 1qhu s HIS 372 CO 0.32 0.23 -0.14 0.39 -0.85 0.00 0.00 174.74 174.70 1qhu n GLU 373 N -0.91 0.69 -3.80 1.40 1.02 -1.26 -4.81 120.64 112.98 1qhu n GLU 373 Ca -0.03 0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 1qhu n GLU 373 Cb 0.54 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1qhu n GLU 373 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1qhu s LYS 374 N -2.47 0.54 0.05 3.49 2.47 -1.26 -2.91 119.74 119.65 1qhu s LYS 374 Ca -0.26 -0.12 -0.06 0.00 -1.56 0.00 0.00 55.97 53.97 1qhu s LYS 374 Cb 0.08 0.24 -0.01 0.00 -1.46 0.00 0.00 37.83 36.67 1qhu s LYS 374 CO 0.61 -0.13 0.11 0.54 0.16 0.00 0.00 175.35 176.64 1qhu s VAL 375 N -1.00 0.15 -0.03 4.02 0.11 -1.26 -4.90 120.40 117.49 1qhu s VAL 375 Ca -0.11 -1.24 0.13 0.00 -2.93 0.00 0.00 61.98 57.84 1qhu s VAL 375 Cb -0.05 -1.14 -0.20 0.00 -1.53 0.00 0.00 36.38 33.46 1qhu s VAL 375 CO 0.03 -0.68 0.29 0.47 -3.33 0.00 0.00 175.10 171.88 1qhu n ASP 376 N 0.40 1.98 -3.59 3.54 8.00 0.22 -4.78 116.55 122.31 1qhu n ASP 376 Ca -0.17 -0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.32 1qhu n ASP 376 Cb 0.60 1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 43.28 1qhu n ASP 376 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qhu s GLY 377 N -3.47 -0.39 0.14 0.44 0.00 -1.19 -3.79 107.32 99.05 1qhu s GLY 377 Ca -0.05 1.26 -0.12 0.00 0.00 0.00 0.00 44.72 45.81 1qhu s GLY 377 CO 0.54 0.33 0.33 0.00 0.00 0.00 0.00 173.10 174.30 1qhu s ALA 378 N -2.09 -0.46 -0.28 3.20 0.00 -1.26 -1.67 121.76 119.20 1qhu s ALA 378 Ca 0.14 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 1qhu s ALA 378 Cb 0.04 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.96 1qhu s ALA 378 CO -0.05 -0.63 0.83 -1.17 0.00 0.00 0.00 175.76 174.74 1qhu s LEU 379 N -2.88 -0.68 -0.11 0.00 2.96 -0.31 -4.18 118.68 113.48 1qhu s LEU 379 Ca 0.09 1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1qhu s LEU 379 Cb 0.03 2.22 0.03 0.00 0.50 0.00 0.00 46.19 48.97 1qhu s LEU 379 CO -0.07 -0.21 -0.03 0.00 -1.32 0.00 0.00 176.35 174.73 1qhu s MET 381 N 1.83 1.09 0.08 0.00 0.23 -1.05 -4.42 119.30 117.07 1qhu s MET 381 Ca 0.04 -0.36 -0.17 0.00 -1.03 0.00 0.00 55.69 54.17 1qhu s MET 381 Cb -0.13 0.50 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 1qhu s MET 381 CO -0.07 -0.42 1.45 0.93 -2.03 0.00 0.00 175.02 174.88 1qhu h GLU 382 N 2.55 0.53 -6.73 3.16 3.07 -1.91 -0.40 114.58 114.84 1qhu h GLU 382 Ca -0.32 -0.23 -0.50 0.00 -0.50 0.00 0.00 59.36 57.81 1qhu h GLU 382 Cb 1.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1qhu h GLU 382 CO 0.41 0.78 0.05 -1.59 -1.40 0.00 0.00 179.01 177.27 1qhu s LYS 383 N -4.60 3.80 0.91 2.33 -2.85 -1.26 -4.39 119.74 113.67 1qhu s LYS 383 Ca -0.13 0.42 -0.12 0.00 -1.00 0.00 0.00 55.97 55.14 1qhu s LYS 383 Cb 0.07 -2.46 0.14 0.00 -2.06 0.00 0.00 37.83 33.52 1qhu s LYS 383 CO 0.78 0.07 1.09 -1.25 0.10 0.00 0.00 175.35 176.14 1qhu s PRO 384 N -3.55 1.16 -0.36 1.78 0.04 -1.26 -4.82 135.00 127.98 1qhu s PRO 384 Ca 0.50 0.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.32 1qhu s PRO 384 Cb -0.10 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.69 1qhu s PRO 384 CO 0.28 -2.31 0.16 -1.17 0.04 0.00 0.00 177.00 173.99 1qhu s LEU 385 N -6.27 4.60 0.00 -3.56 2.96 -1.26 -4.88 118.68 110.26 1qhu s LEU 385 Ca 0.64 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1qhu s LEU 385 Cb -0.18 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1qhu s LEU 385 CO 0.57 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1qhu n GLY 386 N 4.85 -1.72 0.09 7.98 0.00 -1.26 -4.55 105.19 110.59 1qhu n GLY 386 Ca -0.11 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.02 1qhu n GLY 386 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qhu h PRO 387 N 0.00 0.00 -5.64 1.61 0.13 -2.00 -3.46 132.00 122.63 1qhu h PRO 387 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1qhu h PRO 387 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1qhu h PRO 387 CO 0.00 0.00 -0.82 -0.80 -0.23 0.00 0.00 178.00 176.15 1qhu s ASN 388 N -4.45 3.56 0.34 1.44 0.01 -1.26 -4.96 114.94 109.62 1qhu s ASN 388 Ca 0.08 -0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 51.75 1qhu s ASN 388 Cb 0.13 -1.26 -0.05 0.00 0.41 0.00 0.00 41.25 40.47 1qhu s ASN 388 CO 0.67 0.21 0.64 -0.44 -1.51 0.00 0.00 177.10 176.67 1qhu s SER 389 N 0.06 6.46 0.00 -1.22 0.01 -1.26 -4.61 113.70 113.14 1qhu s SER 389 Ca -0.08 0.86 0.19 0.00 1.31 0.00 0.00 55.95 58.23 1qhu s SER 389 Cb -0.15 -2.21 -0.14 0.00 0.21 0.00 0.00 66.02 63.73 1qhu s SER 389 CO 0.05 -0.28 0.84 0.00 0.41 0.00 0.00 173.24 174.25 1qhu s SER 391 N -2.57 4.24 -0.14 0.00 0.15 -1.26 -4.55 113.70 109.56 1qhu s SER 391 Ca 0.10 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1qhu s SER 391 Cb 0.14 -0.92 -0.14 0.00 -1.71 0.00 0.00 66.02 63.39 1qhu s SER 391 CO 0.68 0.32 -0.02 0.35 1.20 0.00 0.00 173.24 175.77 1qhu n THR 392 N 2.02 0.88 0.51 6.45 -2.24 -1.26 -4.60 114.28 116.05 1qhu n THR 392 Ca -0.17 -0.47 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1qhu n THR 392 Cb 0.52 -0.81 0.09 0.00 -2.10 0.00 0.00 70.33 68.04 1qhu n THR 392 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qhu n SER 393 N -2.64 2.51 -1.42 3.42 7.64 -1.26 -5.03 113.62 116.84 1qhu n SER 393 Ca -0.23 -1.72 -0.03 0.00 1.01 0.00 0.00 58.87 57.89 1qhu n SER 393 Cb 0.87 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 1qhu n SER 393 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qhu n GLY 394 N 0.91 3.03 3.75 0.23 0.00 -1.26 -5.15 105.19 106.70 1qhu n GLY 394 Ca 0.11 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1qhu n GLY 394 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qhu s PRO 395 N -2.18 2.36 0.10 1.61 0.04 -1.26 -4.70 135.00 130.97 1qhu s PRO 395 Ca 0.06 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1qhu s PRO 395 Cb -0.00 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1qhu s PRO 395 CO 0.05 -1.61 1.11 -0.80 0.04 0.00 0.00 177.00 175.79 1qhu s ASN 396 N -2.51 7.22 -0.34 6.66 -0.87 -0.16 -4.62 114.94 120.33 1qhu s ASN 396 Ca 0.69 1.97 -0.04 0.00 -1.57 0.00 0.00 52.86 53.91 1qhu s ASN 396 Cb -0.23 -2.59 0.06 0.00 -0.02 0.00 0.00 41.25 38.47 1qhu s ASN 396 CO 0.46 -0.32 0.08 -0.22 -2.57 0.00 0.00 177.10 174.53 1qhu s LEU 397 N 0.47 4.34 -0.05 0.60 2.96 -1.08 -2.52 118.68 123.41 1qhu s LEU 397 Ca 0.54 -1.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.04 1qhu s LEU 397 Cb -0.28 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1qhu s LEU 397 CO 0.31 -0.35 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.68 1qhu s TYR 398 N 1.28 3.10 -0.03 5.38 2.02 -0.06 -1.12 117.35 127.91 1qhu s TYR 398 Ca -0.01 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1qhu s TYR 398 Cb -0.20 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1qhu s TYR 398 CO -0.01 0.45 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.86 1qhu s LEU 399 N -1.10 1.54 0.16 -1.29 1.43 -0.59 -1.17 118.68 117.67 1qhu s LEU 399 Ca 0.15 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1qhu s LEU 399 Cb -0.11 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1qhu s LEU 399 CO 0.05 -0.01 -0.21 0.27 0.23 0.00 0.00 176.35 176.68 1qhu s ILE 400 N 0.58 2.57 -0.30 -0.59 -4.36 -0.67 -1.41 121.20 117.02 1qhu s ILE 400 Ca -0.08 -1.81 -0.09 0.00 -0.26 0.00 0.00 60.65 58.40 1qhu s ILE 400 Cb -0.11 -2.21 0.16 0.00 1.25 0.00 0.00 42.46 41.54 1qhu s ILE 400 CO 0.00 -0.03 0.75 -2.28 0.24 0.00 0.00 174.94 173.62 1qhu s HIS 401 N -1.45 -1.19 0.00 1.37 2.46 -0.76 0.69 115.29 116.42 1qhu s HIS 401 Ca 0.19 1.79 0.00 0.00 0.47 0.00 0.00 55.06 57.51 1qhu s HIS 401 Cb -0.09 0.61 0.00 0.00 -0.13 0.00 0.00 32.58 32.97 1qhu s HIS 401 CO 0.10 -0.61 0.00 0.41 -2.47 0.00 0.00 174.74 172.17 1qhu n GLY 402 N 5.34 3.73 0.71 1.59 0.00 -1.26 -1.34 105.19 113.96 1qhu n GLY 402 Ca -0.08 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1qhu n GLY 402 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qhu n PRO 403 N 14.00 1.93 -4.24 1.61 -0.04 -1.26 -4.70 135.00 142.30 1qhu n PRO 403 Ca 0.00 -1.40 -0.33 0.00 -0.04 0.00 0.00 63.50 61.73 1qhu n PRO 403 Cb 0.00 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 31.96 1qhu n PRO 403 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qhu s ASN 404 N -1.53 5.35 -0.14 3.54 -0.87 -0.45 -0.72 114.94 120.12 1qhu s ASN 404 Ca 0.33 0.09 -0.00 0.00 -1.57 0.00 0.00 52.86 51.71 1qhu s ASN 404 Cb 0.19 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.25 39.93 1qhu s ASN 404 CO 0.27 0.30 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.75 1qhu s LEU 405 N -1.44 2.68 0.02 0.60 2.96 0.48 -1.82 118.68 122.15 1qhu s LEU 405 Ca 0.19 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1qhu s LEU 405 Cb -0.12 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1qhu s LEU 405 CO 0.09 0.15 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.72 1qhu s TYR 406 N 0.46 2.40 -0.03 5.38 2.02 -0.50 -1.58 117.35 125.51 1qhu s TYR 406 Ca -0.10 -0.37 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1qhu s TYR 406 Cb -0.16 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1qhu s TYR 406 CO 0.05 0.11 -0.09 0.00 -1.57 0.00 0.00 175.55 174.05 1qhu s TYR 408 N 0.24 1.48 0.29 0.00 2.02 -0.27 -4.93 117.35 116.17 1qhu s TYR 408 Ca -0.04 -0.46 0.11 0.00 -0.37 0.00 0.00 57.07 56.31 1qhu s TYR 408 Cb -0.09 -0.81 0.41 0.00 -0.40 0.00 0.00 41.96 41.06 1qhu s TYR 408 CO 0.00 0.13 1.64 0.00 -1.57 0.00 0.00 175.55 175.76 1qhu h ARG 409 N 4.08 0.00 0.00 -0.62 2.47 -1.87 -2.85 114.38 115.59 1qhu h ARG 409 Ca -0.43 -0.00 0.27 0.00 -1.26 0.00 0.00 59.98 58.56 1qhu h ARG 409 Cb 1.19 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.46 1qhu h ARG 409 CO 0.41 0.58 0.76 -2.39 0.56 0.00 0.00 179.97 179.90 1qhu n HIS 410 N -3.85 -0.61 0.07 3.04 1.44 -1.26 -4.54 115.22 109.51 1qhu n HIS 410 Ca -0.01 -0.80 -0.05 0.00 -2.01 0.00 0.00 57.72 54.85 1qhu n HIS 410 Cb 0.59 0.37 0.13 0.00 0.12 0.00 0.00 29.99 31.20 1qhu n HIS 410 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1qhu h VAL 411 N 1.92 1.35 -0.56 0.61 -1.51 -1.94 -2.98 116.25 113.13 1qhu h VAL 411 Ca -0.21 -1.82 0.05 0.00 -1.23 0.00 0.00 66.70 63.49 1qhu h VAL 411 Cb 1.09 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 32.08 1qhu h VAL 411 CO 0.30 0.55 0.37 0.44 -1.23 0.00 0.00 177.57 178.00 1qhu h ASP 412 N 0.24 0.50 -0.52 4.19 3.32 -1.99 -2.02 116.42 120.13 1qhu h ASP 412 Ca 0.00 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1qhu h ASP 412 Cb 1.03 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1qhu h ASP 412 CO 0.09 0.33 -0.11 0.11 -1.72 0.00 0.00 179.24 177.94 1qhu h LYS 413 N 0.57 0.99 -0.48 3.56 1.79 -1.93 -2.31 116.57 118.77 1qhu h LYS 413 Ca 0.24 -0.37 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1qhu h LYS 413 Cb 0.22 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1qhu h LYS 413 CO -0.07 1.05 0.22 1.25 -1.08 0.00 0.00 179.45 180.82 1qhu h LEU 414 N 0.86 0.63 -1.08 2.94 5.85 -1.39 -1.45 115.31 121.67 1qhu h LEU 414 Ca 0.13 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1qhu h LEU 414 Cb 0.67 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1qhu h LEU 414 CO 0.05 0.59 -0.07 0.78 -0.34 0.00 0.00 178.44 179.44 1qhu h ASN 415 N 0.62 0.55 1.40 1.25 2.35 -1.33 -3.20 115.58 117.23 1qhu h ASN 415 Ca 0.16 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1qhu h ASN 415 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1qhu h ASN 415 CO -0.02 0.67 -0.57 0.00 -1.65 0.00 0.00 177.43 175.86 1qhu h ALA 416 N 1.39 0.71 -2.66 -0.83 0.00 -1.14 -3.39 119.26 113.34 1qhu h ALA 416 Ca 0.10 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.49 1qhu h ALA 416 Cb 0.45 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.30 1qhu h ALA 416 CO 0.02 0.00 1.01 0.00 0.00 0.00 0.00 179.25 180.28 1qhu s ALA 417 N -3.29 3.93 -0.12 0.00 0.00 -0.57 -4.90 121.76 116.82 1qhu s ALA 417 Ca 0.03 1.59 0.16 0.00 0.00 0.00 0.00 51.96 53.74 1qhu s ALA 417 Cb 0.08 -3.69 -0.14 0.00 0.00 0.00 0.00 23.12 19.37 1qhu s ALA 417 CO 0.74 -0.93 0.82 0.87 0.00 0.00 0.00 175.76 177.26 1qhu h LYS 418 N 6.70 0.00 -4.43 0.00 1.57 -1.92 -3.38 116.57 115.11 1qhu h LYS 418 Ca -0.43 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.15 1qhu h LYS 418 Cb 1.20 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 1qhu h LYS 418 CO 0.95 0.30 -0.70 -0.80 -0.57 0.00 0.00 179.45 178.63 1qhu s ASN 419 N -5.81 0.77 0.25 0.86 0.01 -1.26 -4.98 114.94 104.79 1qhu s ASN 419 Ca -0.03 -0.82 -0.30 0.00 -0.71 0.00 0.00 52.86 51.00 1qhu s ASN 419 Cb 0.09 0.11 -0.09 0.00 0.41 0.00 0.00 41.25 41.76 1qhu s ASN 419 CO 0.81 -0.41 1.21 -0.76 -1.51 0.00 0.00 177.10 176.44 1qhu s LEU 420 N -2.44 4.47 1.00 0.60 1.43 -1.26 -5.00 118.68 117.48 1qhu s LEU 420 Ca 0.01 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 1qhu s LEU 420 Cb 0.00 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.79 1qhu s LEU 420 CO -0.04 -0.37 1.08 -2.16 0.23 0.00 0.00 176.35 175.09 1qhu s PRO 421 N -0.95 0.38 -0.04 1.29 0.04 -1.26 -4.93 135.00 129.53 1qhu s PRO 421 Ca 0.50 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 1qhu s PRO 421 Cb -0.35 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1qhu s PRO 421 CO 0.42 -2.83 1.54 -1.14 0.04 0.00 0.00 177.00 175.03 1qhu s GLN 422 N -4.79 4.21 0.37 4.56 2.00 -1.26 -4.97 119.66 119.77 1qhu s GLN 422 Ca 0.66 2.09 -0.25 0.00 -2.00 0.00 0.00 55.36 55.86 1qhu s GLN 422 Cb -0.20 -3.80 -0.10 0.00 0.80 0.00 0.00 33.01 29.71 1qhu s GLN 422 CO 0.59 -0.75 1.00 -1.25 -0.50 0.00 0.00 175.29 174.39 1qhu s PRO 423 N 3.37 4.35 0.38 1.67 0.04 -1.26 -4.88 135.00 138.68 1qhu s PRO 423 Ca 0.69 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 1qhu s PRO 423 Cb -0.32 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 1qhu s PRO 423 CO 0.27 0.05 0.61 -1.14 0.04 0.00 0.00 177.00 176.83 1qhu s GLN 424 N -2.35 3.43 0.02 4.56 2.00 -0.61 -4.87 119.66 121.84 1qhu s GLN 424 Ca 0.55 -0.27 -0.19 0.00 -2.00 0.00 0.00 55.36 53.45 1qhu s GLN 424 Cb -0.20 -2.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.95 1qhu s GLN 424 CO 0.25 0.03 0.54 1.03 -0.50 0.00 0.00 175.29 176.64 1qhu s ARG 425 N -4.42 4.20 0.05 1.67 0.52 -1.26 -0.39 118.95 119.31 1qhu s ARG 425 Ca 0.42 0.66 -0.35 0.00 -0.52 0.00 0.00 55.73 55.94 1qhu s ARG 425 Cb -0.10 -3.28 -0.20 0.00 0.52 0.00 0.00 34.95 31.90 1qhu s ARG 425 CO 0.38 0.53 1.49 0.28 0.02 0.00 0.00 175.30 178.00 1qhu h VAL 426 N 3.83 0.05 -0.86 3.52 2.07 -1.23 -2.98 116.25 120.65 1qhu h VAL 426 Ca -0.48 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 67.25 1qhu h VAL 426 Cb 1.21 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 30.88 1qhu h VAL 426 CO 0.66 0.00 0.13 -1.54 0.02 0.00 0.00 177.57 176.84 1qhu n SER 427 N -5.60 0.00 0.09 0.57 3.41 -1.26 0.11 113.62 110.94 1qhu n SER 427 Ca -0.16 1.45 -0.01 0.00 -0.26 0.00 0.00 58.87 59.89 1qhu n SER 427 Cb 0.49 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 1qhu n SER 427 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qhu h ARG 428 N 0.00 0.28 0.00 4.33 2.43 -1.74 -1.18 114.38 118.49 1qhu h ARG 428 Ca 0.58 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1qhu h ARG 428 Cb 1.30 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1qhu h ARG 428 CO -0.77 0.58 -0.06 1.37 -1.51 0.00 0.00 179.97 179.58 1qhu h LEU 429 N 0.24 0.00 -3.09 3.80 8.10 0.75 -2.53 115.31 122.58 1qhu h LEU 429 Ca 0.03 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 1qhu h LEU 429 Cb 0.70 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.84 1qhu h LEU 429 CO 0.05 0.06 0.17 0.18 -4.11 0.00 0.00 178.44 174.79 1qhu n LEU 430 N -3.29 4.93 0.00 0.17 4.77 -0.50 -4.89 117.00 118.20 1qhu n LEU 430 Ca -0.01 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1qhu n LEU 430 Cb 0.25 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1qhu n LEU 430 CO 0.27 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1qhu n GLY 431 N 0.06 2.14 3.79 -0.72 0.00 -0.95 -4.98 105.19 104.54 1qhu n GLY 431 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 1qhu n GLY 431 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qhu n THR 433 N -3.72 0.00 0.87 0.00 -2.24 -1.26 -4.47 114.28 103.45 1qhu n THR 433 Ca 0.07 -0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1qhu n THR 433 Cb 0.59 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.24 1qhu n THR 433 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91