#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti6 n GLY 2 N 0.00 1.46 3.99 3.03 0.00 -1.26 -5.00 105.19 107.41 1ti6 n GLY 2 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 1ti6 n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 3 N -1.76 2.75 0.10 1.61 0.41 -1.26 -4.76 118.70 115.79 1ti6 s GLU 3 Ca 0.00 -1.00 -0.27 0.00 -0.41 0.00 0.00 54.97 53.29 1ti6 s GLU 3 Cb 0.00 -2.65 -0.06 0.00 -1.78 0.00 0.00 34.13 29.64 1ti6 s GLU 3 CO 0.00 -0.42 0.84 0.08 -0.49 0.00 0.00 175.26 175.27 1ti6 s VAL 4 N -2.51 4.55 -0.03 2.63 1.01 -1.26 -4.53 120.40 120.26 1ti6 s VAL 4 Ca 0.55 1.81 0.06 0.00 0.00 0.00 0.00 61.98 64.40 1ti6 s VAL 4 Cb -0.10 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1ti6 s VAL 4 CO 0.35 0.39 -0.23 -0.69 0.00 0.00 0.00 175.10 174.92 1ti6 s VAL 5 N -0.31 1.83 -0.29 2.92 1.01 0.11 -4.95 120.40 120.72 1ti6 s VAL 5 Ca 0.41 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1ti6 s VAL 5 Cb -0.22 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ti6 s VAL 5 CO 0.26 0.52 0.43 -0.60 0.00 0.00 0.00 175.10 175.71 1ti6 s ARG 6 N -0.34 3.90 0.49 2.72 3.52 -1.26 -0.94 118.95 127.04 1ti6 s ARG 6 Ca 0.03 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.68 1ti6 s ARG 6 Cb -0.11 -3.70 -0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1ti6 s ARG 6 CO 0.01 -0.39 0.17 -0.51 -0.81 0.00 0.00 175.30 173.77 1ti6 s LEU 7 N 2.18 2.66 0.13 -0.88 1.43 0.18 -4.92 118.68 119.46 1ti6 s LEU 7 Ca 0.17 -1.37 0.09 0.00 -1.03 0.00 0.00 54.13 51.99 1ti6 s LEU 7 Cb -0.16 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1ti6 s LEU 7 CO 0.11 -0.83 -0.22 0.42 0.23 0.00 0.00 176.35 176.06 1ti6 s THR 8 N -2.77 1.95 0.16 5.49 -4.23 -1.26 0.26 115.64 115.24 1ti6 s THR 8 Ca 0.25 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 58.90 1ti6 s THR 8 Cb 0.02 -1.79 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1ti6 s THR 8 CO 0.14 -0.08 0.63 -3.20 -0.54 0.00 0.00 174.62 171.58 1ti6 n ASN 9 N 0.79 -1.23 -2.19 3.99 2.85 -0.90 -1.52 115.26 117.04 1ti6 n ASN 9 Ca -0.17 -1.71 -0.09 0.00 -0.11 0.00 0.00 54.58 52.50 1ti6 n ASN 9 Cb 0.54 2.02 -0.02 0.00 1.24 0.00 0.00 39.78 43.56 1ti6 n ASN 9 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1ti6 n SER 10 N -1.13 -0.77 -3.18 1.20 2.88 -1.26 -1.07 113.62 110.28 1ti6 n SER 10 Ca -0.03 -2.14 -0.05 0.00 -1.33 0.00 0.00 58.87 55.33 1ti6 n SER 10 Cb 0.38 1.46 0.02 0.00 -0.75 0.00 0.00 64.21 65.33 1ti6 n SER 10 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ti6 s SER 11 N -2.29 0.02 0.00 -3.46 1.04 -0.84 -4.79 113.70 103.37 1ti6 s SER 11 Ca 0.18 -0.85 0.24 0.00 0.48 0.00 0.00 55.95 55.99 1ti6 s SER 11 Cb -0.00 0.62 1.36 0.00 0.10 0.00 0.00 66.02 68.10 1ti6 s SER 11 CO 0.13 -1.24 1.80 0.35 0.98 0.00 0.00 173.24 175.26 1ti6 n THR 12 N -0.66 0.09 -0.22 2.02 -2.24 -1.26 -1.94 114.28 110.06 1ti6 n THR 12 Ca -0.05 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.79 1ti6 n THR 12 Cb 0.59 -0.64 0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1ti6 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ti6 n GLY 13 N 0.58 3.17 0.00 3.38 0.00 -1.26 -3.87 105.19 107.19 1ti6 n GLY 13 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ti6 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 14 N -0.25 2.49 3.78 -0.02 0.00 -0.82 -1.39 105.19 108.99 1ti6 n GLY 14 Ca 0.07 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1ti6 n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ti6 s PRO 15 N -2.52 3.10 0.07 1.61 0.02 -1.26 -2.00 135.00 134.02 1ti6 s PRO 15 Ca 0.00 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.27 1ti6 s PRO 15 Cb 0.00 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1ti6 s PRO 15 CO 0.00 -1.01 0.17 0.14 -0.33 0.00 0.00 177.00 175.98 1ti6 s VAL 16 N -2.32 0.14 -0.20 3.83 -7.23 -0.24 -4.43 120.40 109.95 1ti6 s VAL 16 Ca 0.66 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 1ti6 s VAL 16 Cb -0.19 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1ti6 s VAL 16 CO 0.37 -0.62 0.21 -0.36 -0.31 0.00 0.00 175.10 174.40 1ti6 s PHE 17 N -3.39 3.39 -0.23 2.82 2.99 -0.00 -2.11 117.98 121.46 1ti6 s PHE 17 Ca 0.01 0.41 -0.04 0.00 0.00 0.00 0.00 56.93 57.31 1ti6 s PHE 17 Cb 0.03 -2.28 -0.01 0.00 0.00 0.00 0.00 43.02 40.76 1ti6 s PHE 17 CO -0.08 0.18 -0.03 0.08 -0.00 0.00 0.00 175.22 175.36 1ti6 s VAL 18 N 0.69 3.42 -0.26 -0.44 1.01 0.14 -1.31 120.40 123.65 1ti6 s VAL 18 Ca 0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1ti6 s VAL 18 Cb -0.13 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1ti6 s VAL 18 CO 0.02 0.39 0.43 -0.31 0.00 0.00 0.00 175.10 175.63 1ti6 s TYR 19 N 1.48 3.26 0.03 5.22 1.51 -0.58 0.50 117.35 128.77 1ti6 s TYR 19 Ca 0.05 0.51 0.07 0.00 -1.01 0.00 0.00 57.07 56.69 1ti6 s TYR 19 Cb -0.15 -2.62 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 1ti6 s TYR 19 CO -0.03 -0.24 -0.22 0.08 -1.11 0.00 0.00 175.55 174.04 1ti6 s VAL 20 N 2.12 1.76 -0.07 0.71 1.01 -0.12 -0.54 120.40 125.27 1ti6 s VAL 20 Ca 0.17 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ti6 s VAL 20 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1ti6 s VAL 20 CO 0.09 0.32 0.15 -0.75 0.00 0.00 0.00 175.10 174.91 1ti6 s LYS 21 N -0.98 0.11 -1.60 2.72 2.20 -0.48 -0.71 119.74 120.99 1ti6 s LYS 21 Ca 0.08 0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.90 1ti6 s LYS 21 Cb -0.09 -0.13 0.11 0.00 -1.51 0.00 0.00 37.83 36.22 1ti6 s LYS 21 CO 0.01 -0.14 0.86 -0.25 -0.36 0.00 0.00 175.35 175.47 1ti6 n ASP 22 N 3.99 -3.79 -0.55 1.43 8.00 -1.26 -1.10 116.55 123.28 1ti6 n ASP 22 Ca -0.24 -0.90 -0.07 0.00 0.71 0.00 0.00 54.79 54.29 1ti6 n ASP 22 Cb 0.53 -3.32 -0.03 0.00 -0.02 0.00 0.00 41.12 38.28 1ti6 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 23 N -1.57 0.92 3.12 0.44 0.00 -1.26 -5.01 105.19 101.83 1ti6 n GLY 23 Ca 0.03 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1ti6 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 24 N -2.41 1.19 -0.10 1.61 2.20 -0.26 -4.71 119.74 117.26 1ti6 s LYS 24 Ca 0.00 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 1ti6 s LYS 24 Cb 0.00 -1.16 -0.01 0.00 -1.51 0.00 0.00 37.83 35.15 1ti6 s LYS 24 CO 0.00 0.32 0.99 0.42 -0.36 0.00 0.00 175.35 176.71 1ti6 s ILE 25 N -0.38 4.80 -0.19 5.43 1.01 -1.26 -1.39 121.20 129.23 1ti6 s ILE 25 Ca 0.06 2.01 -0.15 0.00 0.00 0.00 0.00 60.65 62.57 1ti6 s ILE 25 Cb -0.06 -4.30 -0.21 0.00 0.01 0.00 0.00 42.46 37.90 1ti6 s ILE 25 CO -0.00 0.03 0.19 -0.38 0.00 0.00 0.00 174.94 174.78 1ti6 n ILE 26 N 4.48 1.62 -3.52 2.92 5.41 0.30 -4.97 119.36 125.59 1ti6 n ILE 26 Ca 0.08 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.44 1ti6 n ILE 26 Cb 0.49 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.50 1ti6 n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ti6 s ARG 27 N -2.45 1.24 -0.03 0.38 1.70 -1.20 -5.03 118.95 113.56 1ti6 s ARG 27 Ca -0.28 -0.51 0.03 0.00 -0.47 0.00 0.00 55.73 54.50 1ti6 s ARG 27 Cb 0.07 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 1ti6 s ARG 27 CO 0.64 -0.55 -0.12 -1.64 -1.08 0.00 0.00 175.30 172.55 1ti6 s MET 28 N -3.60 1.29 0.17 3.89 -1.94 -1.26 -1.52 119.30 116.33 1ti6 s MET 28 Ca 0.04 -0.42 -0.01 0.00 -1.71 0.00 0.00 55.69 53.59 1ti6 s MET 28 Cb -0.02 -1.16 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 1ti6 s MET 28 CO -0.08 0.16 0.10 0.95 -0.01 0.00 0.00 175.02 176.13 1ti6 s THR 29 N 0.16 0.05 0.96 2.05 -4.23 -0.42 -4.95 115.64 109.27 1ti6 s THR 29 Ca -0.04 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1ti6 s THR 29 Cb -0.10 -2.26 0.17 0.00 1.34 0.00 0.00 72.50 71.64 1ti6 s THR 29 CO 0.01 -0.24 1.09 -2.84 -0.54 0.00 0.00 174.62 172.11 1ti6 s PRO 30 N -4.10 0.73 -0.19 3.99 0.02 -1.26 -0.82 135.00 133.37 1ti6 s PRO 30 Ca 0.31 0.61 -0.07 0.00 0.02 0.00 0.00 61.00 61.87 1ti6 s PRO 30 Cb 0.07 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.79 1ti6 s PRO 30 CO 0.07 -2.55 0.05 -1.64 -0.33 0.00 0.00 177.00 172.60 1ti6 s MET 31 N -4.97 3.90 -0.12 5.54 -1.94 -1.26 -4.46 119.30 115.98 1ti6 s MET 31 Ca 0.65 -0.38 -0.10 0.00 -1.71 0.00 0.00 55.69 54.14 1ti6 s MET 31 Cb -0.18 -3.20 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 1ti6 s MET 31 CO 0.57 0.20 0.21 -0.51 -0.01 0.00 0.00 175.02 175.48 1ti6 s ASP 32 N 0.55 6.43 0.48 3.03 1.01 -1.26 -0.77 116.67 126.14 1ti6 s ASP 32 Ca 0.02 0.51 -0.18 0.00 0.71 0.00 0.00 52.55 53.61 1ti6 s ASP 32 Cb -0.13 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.59 1ti6 s ASP 32 CO 0.01 0.29 0.96 -0.36 0.21 0.00 0.00 175.17 176.28 1ti6 s PHE 33 N -0.47 3.41 -0.46 4.23 2.99 -0.80 -4.99 117.98 121.89 1ti6 s PHE 33 Ca 0.15 1.49 -0.12 0.00 0.00 0.00 0.00 56.93 58.45 1ti6 s PHE 33 Cb -0.13 -2.79 0.08 0.00 0.00 0.00 0.00 43.02 40.19 1ti6 s PHE 33 CO 0.04 -0.27 0.34 0.34 -0.00 0.00 0.00 175.22 175.68 1ti6 s ASP 34 N -2.79 5.89 0.02 1.36 -1.08 -1.26 -4.95 116.67 113.87 1ti6 s ASP 34 Ca 0.59 -1.50 0.03 0.00 -0.52 0.00 0.00 52.55 51.15 1ti6 s ASP 34 Cb -0.10 -2.09 0.14 0.00 -1.46 0.00 0.00 42.92 39.42 1ti6 s ASP 34 CO 0.25 -0.63 1.09 0.47 0.52 0.00 0.00 175.17 176.88 1ti6 n ASP 35 N 5.06 0.04 0.14 -0.34 8.00 -1.26 0.20 116.55 128.39 1ti6 n ASP 35 Ca -0.11 0.52 0.05 0.00 0.71 0.00 0.00 54.79 55.95 1ti6 n ASP 35 Cb 0.43 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1ti6 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ti6 h ALA 36 N 2.05 0.72 0.00 2.24 0.00 -2.01 -3.39 119.26 118.87 1ti6 h ALA 36 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ti6 h ALA 36 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ti6 h ALA 36 CO 0.00 0.51 -0.29 1.33 0.00 0.00 0.00 179.25 180.79 1ti6 n VAL 37 N -3.11 0.00 -3.83 0.00 0.24 -0.30 -5.04 118.33 106.28 1ti6 n VAL 37 Ca 0.01 -0.17 -0.35 0.00 -2.04 0.00 0.00 64.34 61.78 1ti6 n VAL 37 Cb 0.70 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 1ti6 n VAL 37 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ti6 s ASP 38 N -0.92 5.85 0.59 -1.34 1.01 0.13 -4.97 116.67 117.01 1ti6 s ASP 38 Ca 0.00 0.10 -0.18 0.00 0.71 0.00 0.00 52.55 53.18 1ti6 s ASP 38 Cb 0.00 -2.03 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 1ti6 s ASP 38 CO 0.00 0.13 0.63 0.00 0.21 0.00 0.00 175.17 176.14 1ti6 n ALA 39 N 3.85 -0.85 -0.94 5.23 0.00 -1.26 -4.59 120.51 121.95 1ti6 n ALA 39 Ca -0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1ti6 n ALA 39 Cb 0.52 -1.90 0.13 0.00 0.00 0.00 0.00 19.45 18.21 1ti6 n ALA 39 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ti6 s PRO 40 N -2.29 1.55 0.57 0.00 0.02 -1.26 -4.97 135.00 128.63 1ti6 s PRO 40 Ca 0.71 1.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 1ti6 s PRO 40 Cb -0.43 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1ti6 s PRO 40 CO 0.52 -2.21 0.85 -1.12 -0.33 0.00 0.00 177.00 174.72 1ti6 s SER 41 N -2.99 5.46 0.83 2.53 0.01 -1.26 -4.21 113.70 114.07 1ti6 s SER 41 Ca 0.64 0.47 -0.12 0.00 1.31 0.00 0.00 55.95 58.25 1ti6 s SER 41 Cb -0.20 -1.44 0.09 0.00 0.21 0.00 0.00 66.02 64.67 1ti6 s SER 41 CO 0.57 -1.09 1.10 -1.66 0.41 0.00 0.00 173.24 172.57 1ti6 s TRP 42 N -2.90 2.70 0.02 2.43 1.48 -1.26 -4.94 118.94 116.46 1ti6 s TRP 42 Ca 0.54 1.14 0.01 0.00 -1.06 0.00 0.00 56.10 56.74 1ti6 s TRP 42 Cb -0.10 -3.15 -0.01 0.00 -1.16 0.00 0.00 33.47 29.04 1ti6 s TRP 42 CO 0.42 -1.94 -0.05 0.15 -4.06 0.00 0.00 176.95 171.47 1ti6 s LYS 43 N -5.12 0.37 -0.07 3.25 1.02 -1.26 -4.34 119.74 113.59 1ti6 s LYS 43 Ca 0.62 -0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.19 1ti6 s LYS 43 Cb -0.15 -0.20 0.01 0.00 -0.52 0.00 0.00 37.83 36.97 1ti6 s LYS 43 CO 0.55 0.04 -0.15 0.42 -0.92 0.00 0.00 175.35 175.28 1ti6 s ILE 44 N -0.82 1.37 -0.34 2.17 1.01 0.38 -4.96 121.20 120.01 1ti6 s ILE 44 Ca -0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 1ti6 s ILE 44 Cb -0.06 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1ti6 s ILE 44 CO -0.00 0.41 0.19 -1.61 0.00 0.00 0.00 174.94 173.92 1ti6 s GLU 45 N 0.50 3.15 -0.11 2.79 8.01 -1.26 -0.25 118.70 131.54 1ti6 s GLU 45 Ca -0.14 -0.85 -0.08 0.00 0.01 0.00 0.00 54.97 53.91 1ti6 s GLU 45 Cb -0.16 -3.67 0.04 0.00 -4.31 0.00 0.00 34.13 26.03 1ti6 s GLU 45 CO 0.05 -0.53 0.27 0.00 0.01 0.00 0.00 175.26 175.05 1ti6 s ALA 46 N 1.61 -0.64 -1.51 5.21 0.00 -0.40 -4.94 121.76 121.09 1ti6 s ALA 46 Ca 0.04 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ti6 s ALA 46 Cb -0.18 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1ti6 s ALA 46 CO 0.07 -0.16 0.31 0.54 0.00 0.00 0.00 175.76 176.52 1ti6 n ARG 47 N 3.50 -2.32 -1.21 0.00 1.74 -1.26 -1.10 116.66 116.00 1ti6 n ARG 47 Ca -0.18 0.28 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 1ti6 n ARG 47 Cb 0.56 -4.25 -0.03 0.00 -1.02 0.00 0.00 32.46 27.72 1ti6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 48 N -2.11 0.91 3.18 -0.13 0.00 -1.26 -5.01 105.19 100.77 1ti6 n GLY 48 Ca -0.26 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 1ti6 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 49 N -2.35 0.87 -0.19 1.61 1.02 -0.26 -5.14 119.74 115.30 1ti6 s LYS 49 Ca 0.00 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 54.76 1ti6 s LYS 49 Cb 0.00 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1ti6 s LYS 49 CO 0.00 0.07 -0.08 0.99 -0.92 0.00 0.00 175.35 175.41 1ti6 s THR 50 N -2.65 3.22 -0.15 2.17 2.01 -1.26 -1.27 115.64 117.71 1ti6 s THR 50 Ca 0.07 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 1ti6 s THR 50 Cb -0.02 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1ti6 s THR 50 CO -0.00 0.46 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.96 1ti6 s PHE 51 N 1.11 2.96 -0.03 4.92 0.40 0.66 -4.94 117.98 123.05 1ti6 s PHE 51 Ca 0.01 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1ti6 s PHE 51 Cb -0.15 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1ti6 s PHE 51 CO -0.02 -0.09 0.09 -0.08 0.70 0.00 0.00 175.22 175.82 1ti6 s THR 52 N 0.37 -0.00 0.80 0.64 -1.32 -1.26 -0.47 115.64 114.39 1ti6 s THR 52 Ca -0.06 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.31 1ti6 s THR 52 Cb -0.15 -0.13 0.07 0.00 -1.51 0.00 0.00 72.50 70.78 1ti6 s THR 52 CO 0.04 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.38 1ti6 s PRO 53 N 0.07 2.07 0.54 7.08 0.04 -1.26 -5.02 135.00 138.53 1ti6 s PRO 53 Ca -0.00 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.86 1ti6 s PRO 53 Cb -0.01 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1ti6 s PRO 53 CO -0.00 -1.73 1.16 -2.14 0.04 0.00 0.00 177.00 174.33 1ti6 s PRO 54 N -4.94 3.34 -0.89 0.56 0.02 -1.26 -4.89 135.00 126.94 1ti6 s PRO 54 Ca 0.61 1.70 -0.07 0.00 0.02 0.00 0.00 61.00 63.26 1ti6 s PRO 54 Cb -0.17 -2.07 -0.12 0.00 0.02 0.00 0.00 34.50 32.16 1ti6 s PRO 54 CO 0.56 -0.88 3.13 0.54 -0.33 0.00 0.00 177.00 180.02 1ti6 n ARG 55 N -1.20 3.07 -3.53 5.54 5.12 -1.26 -4.82 116.66 119.58 1ti6 n ARG 55 Ca 0.11 -1.92 -0.08 0.00 -1.93 0.00 0.00 57.85 54.03 1ti6 n ARG 55 Cb 0.50 -2.43 -0.02 0.00 -1.16 0.00 0.00 32.46 29.35 1ti6 n ARG 55 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1ti6 s LYS 56 N 1.00 0.93 0.51 5.56 2.20 -1.26 -1.90 119.74 126.78 1ti6 s LYS 56 Ca 0.66 -0.37 0.09 0.00 -0.36 0.00 0.00 55.97 55.99 1ti6 s LYS 56 Cb 0.25 0.41 0.05 0.00 -1.51 0.00 0.00 37.83 37.03 1ti6 s LYS 56 CO -0.06 -0.41 0.65 0.95 -0.36 0.00 0.00 175.35 176.13 1ti6 s THR 57 N -3.22 2.44 0.08 3.43 -4.23 0.05 -4.99 115.64 109.19 1ti6 s THR 57 Ca 0.05 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1ti6 s THR 57 Cb -0.01 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1ti6 s THR 57 CO -0.08 0.00 -0.07 -0.94 -0.54 0.00 0.00 174.62 172.99 1ti6 s SER 58 N -4.49 1.05 0.17 3.99 1.04 -1.26 -4.36 113.70 109.83 1ti6 s SER 58 Ca 0.56 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1ti6 s SER 58 Cb -0.07 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1ti6 s SER 58 CO 0.35 -0.36 -0.15 0.27 0.98 0.00 0.00 173.24 174.33 1ti6 s ILE 59 N -2.75 1.58 0.56 -1.02 -4.36 -1.26 -4.39 121.20 109.56 1ti6 s ILE 59 Ca 0.03 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.37 1ti6 s ILE 59 Cb -0.01 -1.83 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 1ti6 s ILE 59 CO -0.03 -0.49 0.89 0.00 0.24 0.00 0.00 174.94 175.55 1ti6 s ALA 60 N -2.54 3.28 0.20 2.27 0.00 -0.48 -4.50 121.76 119.98 1ti6 s ALA 60 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 1ti6 s ALA 60 Cb -0.03 -2.71 0.26 0.00 0.00 0.00 0.00 23.12 20.63 1ti6 s ALA 60 CO 0.05 -0.61 1.67 -1.35 0.00 0.00 0.00 175.76 175.52 1ti6 h PRO 61 N -0.07 0.13 0.00 0.00 0.11 -1.92 -1.41 132.00 128.85 1ti6 h PRO 61 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ti6 h PRO 61 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ti6 h PRO 61 CO 0.62 0.08 0.00 0.10 -0.21 0.00 0.00 178.00 178.59 1ti6 h TYR 62 N 0.13 0.00 0.09 0.65 -0.00 -1.91 -1.74 116.97 114.19 1ti6 h TYR 62 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.70 1ti6 h TYR 62 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.17 1ti6 h TYR 62 CO -0.33 0.00 -1.73 1.15 -0.00 0.00 0.00 178.16 177.25 1ti6 h THR 63 N 0.00 0.90 -0.52 -0.90 2.02 -1.63 -2.91 112.91 109.87 1ti6 h THR 63 Ca 0.00 -2.62 0.02 0.00 0.77 0.00 0.00 66.41 64.58 1ti6 h THR 63 Cb 0.26 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 1ti6 h THR 63 CO 0.00 0.76 0.34 0.00 0.37 0.00 0.00 175.52 176.99 1ti6 h ALA 64 N 0.49 1.71 -0.30 6.16 0.00 -0.45 -2.24 119.26 124.62 1ti6 h ALA 64 Ca -0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1ti6 h ALA 64 Cb 2.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1ti6 h ALA 64 CO 0.12 0.25 0.01 0.41 0.00 0.00 0.00 179.25 180.03 1ti6 n GLY 65 N -1.47 4.11 0.26 0.00 0.00 -0.94 -4.70 105.19 102.46 1ti6 n GLY 65 Ca 0.05 -1.06 0.10 0.00 0.00 0.00 0.00 46.02 45.11 1ti6 n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 66 N 1.79 0.00 -0.69 1.61 3.57 -1.19 -2.57 116.94 119.47 1ti6 h PHE 66 Ca 0.04 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1ti6 h PHE 66 Cb 1.53 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 1ti6 h PHE 66 CO 0.62 0.07 0.45 -0.22 -2.23 0.00 0.00 178.31 177.00 1ti6 h LYS 67 N 0.00 0.53 0.00 1.11 3.64 -1.84 0.23 116.57 120.24 1ti6 h LYS 67 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ti6 h LYS 67 Cb 0.15 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1ti6 h LYS 67 CO 0.01 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.20 1ti6 h SER 68 N 0.54 0.00 0.27 4.20 4.64 -1.84 -2.28 113.55 119.09 1ti6 h SER 68 Ca 0.32 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.30 1ti6 h SER 68 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ti6 h SER 68 CO -0.10 0.00 -1.71 0.24 -0.87 0.00 0.00 176.83 174.38 1ti6 h MET 69 N 0.00 0.33 0.05 4.77 2.86 -0.70 -3.00 114.93 119.24 1ti6 h MET 69 Ca 0.00 -0.56 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1ti6 h MET 69 Cb 0.36 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ti6 h MET 69 CO 0.00 1.22 -0.02 0.82 1.06 0.00 0.00 176.91 179.98 1ti6 h ILE 70 N 0.09 1.01 -0.70 -1.22 2.04 -1.02 -2.87 117.51 114.84 1ti6 h ILE 70 Ca -0.32 -0.18 -0.37 0.00 1.00 0.00 0.00 64.86 65.00 1ti6 h ILE 70 Cb 2.07 1.12 -0.22 0.00 -0.74 0.00 0.00 36.82 39.05 1ti6 h ILE 70 CO 0.16 0.04 0.47 -1.22 0.00 0.00 0.00 178.15 177.60 1ti6 n TYR 71 N -5.08 2.15 -2.28 1.37 4.01 -0.90 -4.96 117.16 111.48 1ti6 n TYR 71 Ca -0.08 -1.49 -0.39 0.00 -0.16 0.00 0.00 57.90 55.78 1ti6 n TYR 71 Cb 0.09 -0.76 -0.03 0.00 -0.31 0.00 0.00 39.34 38.33 1ti6 n TYR 71 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ti6 s SER 72 N -0.61 6.76 0.00 7.72 0.15 -1.09 -4.91 113.70 121.73 1ti6 s SER 72 Ca 0.40 2.44 0.27 0.00 0.70 0.00 0.00 55.95 59.76 1ti6 s SER 72 Cb 0.34 -2.63 1.62 0.00 -1.71 0.00 0.00 66.02 63.64 1ti6 s SER 72 CO 0.07 -0.51 2.02 -0.90 1.20 0.00 0.00 173.24 175.12 1ti6 n ASP 73 N 0.55 0.00 -1.18 5.45 5.68 -1.26 -2.22 116.55 123.56 1ti6 n ASP 73 Ca 0.02 -1.08 0.10 0.00 -0.50 0.00 0.00 54.79 53.33 1ti6 n ASP 73 Cb 0.45 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.71 1ti6 n ASP 73 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1ti6 n LEU 74 N -0.94 3.70 -4.73 -2.12 4.77 -1.26 -4.94 117.00 111.48 1ti6 n LEU 74 Ca 0.20 -1.97 -0.42 0.00 -0.03 0.00 0.00 56.01 53.79 1ti6 n LEU 74 Cb 0.09 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1ti6 n LEU 74 CO 0.15 0.92 1.05 -0.60 -1.33 0.00 0.00 177.39 177.58 1ti6 s ARG 75 N -1.02 4.33 -0.14 3.23 6.06 -0.94 0.25 118.95 130.72 1ti6 s ARG 75 Ca 0.43 2.12 -0.29 0.00 -2.50 0.00 0.00 55.73 55.49 1ti6 s ARG 75 Cb 0.22 -3.20 -0.05 0.00 0.06 0.00 0.00 34.95 31.99 1ti6 s ARG 75 CO 0.29 -0.37 1.84 0.42 -2.50 0.00 0.00 175.30 174.99 1ti6 s ILE 76 N 0.51 3.36 0.23 4.11 1.01 -0.53 -4.74 121.20 125.14 1ti6 s ILE 76 Ca 0.61 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.64 1ti6 s ILE 76 Cb -0.38 -3.36 0.06 0.00 0.01 0.00 0.00 42.46 38.80 1ti6 s ILE 76 CO 0.36 -0.14 1.68 -0.65 0.00 0.00 0.00 174.94 176.19 1ti6 h PRO 77 N 11.54 0.78 -2.17 2.79 0.11 -1.91 -3.43 132.00 139.71 1ti6 h PRO 77 Ca -0.40 -0.27 0.22 0.00 0.11 0.00 0.00 66.00 65.65 1ti6 h PRO 77 Cb 1.20 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 1ti6 h PRO 77 CO 0.97 0.88 0.60 1.52 -0.21 0.00 0.00 178.00 181.77 1ti6 s TYR 78 N -4.74 -0.05 0.35 0.65 -0.85 -1.26 -0.88 117.35 110.56 1ti6 s TYR 78 Ca -0.09 -0.22 -0.28 0.00 -0.52 0.00 0.00 57.07 55.95 1ti6 s TYR 78 Cb 0.14 0.63 -0.12 0.00 0.38 0.00 0.00 41.96 42.99 1ti6 s TYR 78 CO 0.83 -0.70 1.44 -2.30 -1.52 0.00 0.00 175.55 173.29 1ti6 n PRO 79 N -0.55 2.47 -4.24 -3.49 -0.02 -1.26 -4.63 135.00 123.28 1ti6 n PRO 79 Ca -0.06 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.12 1ti6 n PRO 79 Cb 0.61 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.43 1ti6 n PRO 79 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1ti6 s MET 80 N -1.71 1.02 -0.01 -0.52 -1.94 -0.27 -2.03 119.30 113.85 1ti6 s MET 80 Ca 0.56 -1.27 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 1ti6 s MET 80 Cb -0.52 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.49 1ti6 s MET 80 CO 0.60 0.15 -0.09 0.21 -0.01 0.00 0.00 175.02 175.89 1ti6 s LYS 81 N -2.87 0.69 -0.12 2.03 2.20 -0.12 -0.65 119.74 120.91 1ti6 s LYS 81 Ca 0.10 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1ti6 s LYS 81 Cb -0.03 -0.67 -0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1ti6 s LYS 81 CO 0.02 0.18 1.48 0.50 -0.36 0.00 0.00 175.35 177.17 1ti6 s ARG 82 N -0.23 4.18 0.28 4.03 3.52 0.44 -1.00 118.95 130.16 1ti6 s ARG 82 Ca 0.03 1.91 0.01 0.00 -0.13 0.00 0.00 55.73 57.56 1ti6 s ARG 82 Cb -0.03 -3.89 0.60 0.00 -1.56 0.00 0.00 34.95 30.06 1ti6 s ARG 82 CO -0.00 -0.82 1.77 0.87 -0.81 0.00 0.00 175.30 176.31 1ti6 h LYS 83 N 9.03 0.66 0.00 5.12 1.57 -1.30 -1.29 116.57 130.36 1ti6 h LYS 83 Ca -0.33 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1ti6 h LYS 83 Cb 1.14 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1ti6 h LYS 83 CO 0.97 0.44 0.00 -1.13 -0.57 0.00 0.00 179.45 179.16 1ti6 n SER 84 N -4.83 0.00 -4.56 0.86 3.41 -1.26 -4.74 113.62 102.51 1ti6 n SER 84 Ca 0.19 -1.20 -0.39 0.00 -0.26 0.00 0.00 58.87 57.21 1ti6 n SER 84 Cb 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 1ti6 n SER 84 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ti6 s PHE 85 N -2.00 3.22 -0.28 7.33 5.36 -0.49 -4.23 117.98 126.88 1ti6 s PHE 85 Ca 0.31 -0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1ti6 s PHE 85 Cb 0.14 -2.41 0.07 0.00 -0.34 0.00 0.00 43.02 40.48 1ti6 s PHE 85 CO 0.24 -0.25 -0.04 0.34 -1.46 0.00 0.00 175.22 174.04 1ti6 s ASP 86 N 1.74 4.42 0.36 6.13 2.15 -0.83 -4.88 116.67 125.76 1ti6 s ASP 86 Ca 0.07 -1.60 0.11 0.00 0.43 0.00 0.00 52.55 51.56 1ti6 s ASP 86 Cb -0.17 -1.48 0.89 0.00 -0.30 0.00 0.00 42.92 41.87 1ti6 s ASP 86 CO 0.10 -0.27 1.82 -0.65 -0.17 0.00 0.00 175.17 176.01 1ti6 h PRO 87 N 7.77 0.60 -0.67 4.34 0.11 -1.97 -0.73 132.00 141.46 1ti6 h PRO 87 Ca -0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1ti6 h PRO 87 Cb 1.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ti6 h PRO 87 CO 0.47 0.40 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 1ti6 n ASN 88 N -4.63 3.82 0.00 -2.05 4.13 -1.26 -4.96 115.26 110.31 1ti6 n ASN 88 Ca 0.21 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.47 1ti6 n ASN 88 Cb 0.61 -0.44 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1ti6 n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ti6 n GLY 89 N 1.54 5.07 3.66 7.41 0.00 -0.28 -5.09 105.19 117.49 1ti6 n GLY 89 Ca 0.23 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1ti6 n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ti6 s GLU 90 N 4.34 4.21 0.18 1.61 0.41 -1.25 -4.81 118.70 123.40 1ti6 s GLU 90 Ca 0.00 1.58 0.25 0.00 -0.41 0.00 0.00 54.97 56.39 1ti6 s GLU 90 Cb 0.00 -3.76 0.51 0.00 -1.78 0.00 0.00 34.13 29.10 1ti6 s GLU 90 CO 0.00 -0.73 1.50 0.00 -0.49 0.00 0.00 175.26 175.54 1ti6 h ARG 91 N 8.18 0.00 -6.82 1.61 3.08 -1.83 -2.21 114.38 116.40 1ti6 h ARG 91 Ca -0.25 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.25 1ti6 h ARG 91 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ti6 h ARG 91 CO 0.98 0.00 -1.03 0.09 -1.07 0.00 0.00 179.97 178.94 1ti6 n ASN 92 N -2.28 -4.51 -0.20 7.04 3.02 -1.26 -4.43 115.26 112.64 1ti6 n ASN 92 Ca 0.04 -1.15 0.03 0.00 -0.03 0.00 0.00 54.58 53.47 1ti6 n ASN 92 Cb 0.45 -1.79 0.30 0.00 -0.61 0.00 0.00 39.78 38.13 1ti6 n ASN 92 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ti6 h PRO 93 N -1.69 0.87 0.00 3.52 0.11 -1.90 -1.64 132.00 131.27 1ti6 h PRO 93 Ca -0.67 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1ti6 h PRO 93 Cb 1.40 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ti6 h PRO 93 CO 0.46 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 1ti6 n GLN 94 N -4.45 0.13 -0.14 1.05 0.00 -1.25 -1.95 117.38 110.76 1ti6 n GLN 94 Ca 0.09 0.55 0.12 0.00 0.00 0.00 0.00 57.00 57.76 1ti6 n GLN 94 Cb 0.12 -1.85 0.24 0.00 0.00 0.00 0.00 30.24 28.75 1ti6 n GLN 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ti6 n LEU 95 N -2.11 3.00 -4.72 2.61 4.77 -0.62 -4.84 117.00 115.09 1ti6 n LEU 95 Ca -0.00 -1.25 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 1ti6 n LEU 95 Cb 0.08 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1ti6 n LEU 95 CO 0.11 0.62 1.12 -0.13 -1.33 0.00 0.00 177.39 177.79 1ti6 s ARG 96 N -1.63 4.28 0.00 3.23 0.52 -0.82 -1.62 118.95 122.92 1ti6 s ARG 96 Ca 0.36 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.75 1ti6 s ARG 96 Cb 0.21 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1ti6 s ARG 96 CO 0.30 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 175.53 1ti6 n GLY 97 N 3.59 0.68 0.36 -3.53 0.00 -1.21 -4.78 105.19 100.31 1ti6 n GLY 97 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ALA 98 N 0.00 1.46 -0.70 4.61 0.00 -1.59 -0.34 119.26 122.69 1ti6 h ALA 98 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ti6 h ALA 98 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1ti6 h ALA 98 CO 0.00 0.45 0.18 0.78 0.00 0.00 0.00 179.25 180.66 1ti6 h GLY 99 N 1.08 1.21 1.01 0.00 0.00 -1.82 -2.19 103.07 102.36 1ti6 h GLY 99 Ca 0.35 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1ti6 h GLY 99 CO -0.10 0.70 0.34 -2.00 0.00 0.00 0.00 176.54 175.47 1ti6 h LEU 100 N 1.06 0.90 -1.21 3.11 5.85 -1.53 0.50 115.31 124.00 1ti6 h LEU 100 Ca 0.22 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ti6 h LEU 100 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1ti6 h LEU 100 CO 0.00 0.78 0.00 -1.20 -0.34 0.00 0.00 178.44 177.68 1ti6 n SER 101 N -4.45 0.58 -0.36 1.25 7.64 -0.22 -0.96 113.62 117.10 1ti6 n SER 101 Ca 0.05 0.73 0.08 0.00 1.01 0.00 0.00 58.87 60.74 1ti6 n SER 101 Cb 0.13 -0.82 0.17 0.00 -1.01 0.00 0.00 64.21 62.67 1ti6 n SER 101 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ti6 n LYS 102 N -2.24 1.36 -3.66 1.43 2.85 -0.68 -4.14 118.16 113.09 1ti6 n LYS 102 Ca -0.00 -2.86 -0.27 0.00 -1.05 0.00 0.00 58.31 54.12 1ti6 n LYS 102 Cb 0.09 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.00 1ti6 n LYS 102 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1ti6 n GLN 103 N -1.21 -5.65 -2.94 -1.58 3.00 -0.14 -4.92 117.38 103.93 1ti6 n GLN 103 Ca 0.17 0.67 -0.15 0.00 -0.01 0.00 0.00 57.00 57.68 1ti6 n GLN 103 Cb 0.68 -5.57 0.00 0.00 0.00 0.00 0.00 30.24 25.35 1ti6 n GLN 103 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1ti6 n ASP 104 N -2.75 -1.50 -0.10 1.08 -0.08 0.17 -4.99 116.55 108.37 1ti6 n ASP 104 Ca 0.01 -3.08 -0.06 0.00 -1.51 0.00 0.00 54.79 50.16 1ti6 n ASP 104 Cb 0.55 0.76 0.01 0.00 2.34 0.00 0.00 41.12 44.77 1ti6 n ASP 104 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ti6 h PRO 105 N 3.90 -0.05 -0.55 -0.67 0.11 -1.88 -2.79 132.00 130.07 1ti6 h PRO 105 Ca -0.05 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.12 1ti6 h PRO 105 Cb 0.97 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1ti6 h PRO 105 CO 0.38 -0.03 0.36 -1.49 -0.21 0.00 0.00 178.00 177.01 1ti6 h TRP 106 N -0.05 0.53 0.00 0.65 4.06 -1.96 -2.57 115.95 116.62 1ti6 h TRP 106 Ca 0.18 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1ti6 h TRP 106 Cb 0.32 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1ti6 h TRP 106 CO -0.36 0.29 0.00 -1.13 -3.56 0.00 0.00 178.44 173.69 1ti6 n SER 107 N -4.47 0.26 0.14 -3.49 3.41 -1.05 -1.48 113.62 106.94 1ti6 n SER 107 Ca 0.07 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1ti6 n SER 107 Cb 0.21 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 63.76 1ti6 n SER 107 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ti6 h ASP 108 N 0.00 0.00 -2.97 4.04 5.19 -1.61 -3.47 116.42 117.60 1ti6 h ASP 108 Ca 0.00 -0.03 -0.62 0.00 -0.62 0.00 0.00 57.03 55.75 1ti6 h ASP 108 Cb 0.05 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.43 1ti6 h ASP 108 CO 0.00 0.02 -0.71 -0.31 -3.12 0.00 0.00 179.24 175.11 1ti6 s TYR 109 N -3.17 2.66 0.13 4.55 1.51 -0.55 -0.79 117.35 121.69 1ti6 s TYR 109 Ca 0.08 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.99 1ti6 s TYR 109 Cb 0.10 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1ti6 s TYR 109 CO 0.66 0.52 -0.16 -1.83 -1.11 0.00 0.00 175.55 173.62 1ti6 s GLU 110 N -2.86 1.11 0.36 -0.62 -1.05 -0.17 -4.88 118.70 110.60 1ti6 s GLU 110 Ca 0.25 -1.27 -0.25 0.00 -0.15 0.00 0.00 54.97 53.55 1ti6 s GLU 110 Cb -0.09 -1.11 -0.09 0.00 -0.44 0.00 0.00 34.13 32.40 1ti6 s GLU 110 CO 0.16 0.23 1.00 0.50 0.95 0.00 0.00 175.26 178.10 1ti6 s ARG 111 N -2.57 4.39 0.07 -4.83 3.52 -1.26 -0.94 118.95 117.32 1ti6 s ARG 111 Ca 0.10 1.44 -0.09 0.00 -0.13 0.00 0.00 55.73 57.06 1ti6 s ARG 111 Cb -0.06 -2.69 -0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1ti6 s ARG 111 CO 0.04 0.08 0.19 0.96 -0.81 0.00 0.00 175.30 175.75 1ti6 s ILE 112 N -1.62 0.13 0.75 4.11 -4.36 -0.86 -4.86 121.20 114.49 1ti6 s ILE 112 Ca 0.54 -1.10 -0.11 0.00 -0.26 0.00 0.00 60.65 59.71 1ti6 s ILE 112 Cb -0.21 -1.20 0.04 0.00 1.25 0.00 0.00 42.46 42.34 1ti6 s ILE 112 CO 0.26 -0.61 1.10 -0.94 0.24 0.00 0.00 174.94 174.99 1ti6 s SER 113 N -2.60 4.99 0.27 4.36 1.04 -1.26 -4.01 113.70 116.49 1ti6 s SER 113 Ca 0.02 1.22 -0.02 0.00 0.48 0.00 0.00 55.95 57.65 1ti6 s SER 113 Cb 0.03 -1.99 0.37 0.00 0.10 0.00 0.00 66.02 64.53 1ti6 s SER 113 CO -0.09 -1.64 1.83 -0.50 0.98 0.00 0.00 173.24 173.83 1ti6 h TRP 114 N -0.86 0.92 -0.33 5.02 4.06 -1.98 -1.17 115.95 121.61 1ti6 h TRP 114 Ca -0.46 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.40 1ti6 h TRP 114 Cb 1.26 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 1ti6 h TRP 114 CO 0.49 0.74 0.14 0.22 -3.56 0.00 0.00 178.44 176.46 1ti6 h ASP 115 N 0.88 0.45 -0.22 -3.49 3.58 -1.99 -1.50 116.42 114.13 1ti6 h ASP 115 Ca 0.20 -0.16 -0.19 0.00 0.42 0.00 0.00 57.03 57.31 1ti6 h ASP 115 Cb 0.25 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1ti6 h ASP 115 CO -0.01 0.48 -0.57 -0.08 -2.88 0.00 0.00 179.24 176.18 1ti6 h GLU 116 N 0.38 0.81 -0.29 0.28 4.81 -1.89 -1.97 114.58 116.71 1ti6 h GLU 116 Ca 0.11 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1ti6 h GLU 116 Cb 0.17 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1ti6 h GLU 116 CO -0.01 1.16 0.18 0.00 -0.73 0.00 0.00 179.01 179.61 1ti6 h ALA 117 N 0.73 0.37 -0.01 2.92 0.00 -1.15 -0.56 119.26 121.56 1ti6 h ALA 117 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1ti6 h ALA 117 Cb 1.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ti6 h ALA 117 CO 0.12 -0.13 -0.52 1.79 0.00 0.00 0.00 179.25 180.52 1ti6 h THR 118 N 0.38 1.37 -0.56 0.00 1.35 -1.29 -1.68 112.91 112.48 1ti6 h THR 118 Ca 0.11 -1.77 -0.11 0.00 -0.55 0.00 0.00 66.41 64.08 1ti6 h THR 118 Cb 0.00 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1ti6 h THR 118 CO -0.02 0.51 -0.10 0.44 -0.25 0.00 0.00 175.52 176.10 1ti6 h ASP 119 N 0.02 1.05 -0.19 5.36 3.32 -1.00 -0.16 116.42 124.83 1ti6 h ASP 119 Ca -0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1ti6 h ASP 119 Cb 0.92 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1ti6 h ASP 119 CO 0.07 1.15 0.05 0.40 -1.72 0.00 0.00 179.24 179.18 1ti6 h ILE 120 N 0.93 1.21 -0.33 0.35 2.04 -0.78 -1.29 117.51 119.63 1ti6 h ILE 120 Ca 0.15 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ti6 h ILE 120 Cb 0.67 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1ti6 h ILE 120 CO 0.05 0.20 0.15 0.58 0.00 0.00 0.00 178.15 179.14 1ti6 h VAL 121 N 0.12 1.16 -0.89 1.67 2.07 -1.21 -2.52 116.25 116.65 1ti6 h VAL 121 Ca 0.06 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ti6 h VAL 121 Cb 0.27 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1ti6 h VAL 121 CO 0.00 0.17 0.59 0.58 0.02 0.00 0.00 177.57 178.93 1ti6 h VAL 122 N 0.39 1.22 -0.82 2.57 2.07 -0.95 -0.23 116.25 120.49 1ti6 h VAL 122 Ca 0.11 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1ti6 h VAL 122 Cb 0.13 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1ti6 h VAL 122 CO -0.01 0.22 0.44 0.00 0.02 0.00 0.00 177.57 178.24 1ti6 h ALA 123 N 1.33 1.23 -0.01 1.67 0.00 -1.08 -1.04 119.26 121.36 1ti6 h ALA 123 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ti6 h ALA 123 Cb -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1ti6 h ALA 123 CO -0.08 0.62 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 1ti6 h GLU 124 N 1.16 0.02 -0.03 0.00 4.39 -0.93 -1.72 114.58 117.46 1ti6 h GLU 124 Ca 0.29 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.02 1ti6 h GLU 124 Cb 0.04 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1ti6 h GLU 124 CO -0.04 0.36 -0.36 0.82 -1.16 0.00 0.00 179.01 178.63 1ti6 h ILE 125 N -0.33 0.24 -0.68 3.13 2.04 -0.81 -0.15 117.51 120.95 1ti6 h ILE 125 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1ti6 h ILE 125 Cb 0.35 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1ti6 h ILE 125 CO 0.00 0.00 0.26 0.78 0.00 0.00 0.00 178.15 179.19 1ti6 h ASN 126 N -0.50 0.94 -0.24 1.72 2.35 -1.24 0.15 115.58 118.76 1ti6 h ASN 126 Ca 0.06 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1ti6 h ASN 126 Cb 0.59 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1ti6 h ASN 126 CO -0.30 0.85 0.11 -0.09 -1.65 0.00 0.00 177.43 176.35 1ti6 h ARG 127 N 0.99 0.35 -0.55 0.81 2.43 -0.89 -2.34 114.38 115.18 1ti6 h ARG 127 Ca 0.23 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1ti6 h ARG 127 Cb 0.22 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1ti6 h ARG 127 CO -0.02 0.36 -0.01 0.82 -1.51 0.00 0.00 179.97 179.61 1ti6 h ILE 128 N 0.25 1.26 -0.84 1.20 2.04 -0.76 -2.11 117.51 118.56 1ti6 h ILE 128 Ca 0.08 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1ti6 h ILE 128 Cb 0.13 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1ti6 h ILE 128 CO -0.01 0.40 0.38 0.11 0.00 0.00 0.00 178.15 179.04 1ti6 h LYS 129 N 0.86 1.21 0.00 2.37 1.57 -0.89 0.44 116.57 122.14 1ti6 h LYS 129 Ca 0.16 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ti6 h LYS 129 Cb 0.55 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ti6 h LYS 129 CO 0.03 0.95 0.00 0.45 -0.57 0.00 0.00 179.45 180.31 1ti6 h HIS 130 N 1.20 0.00 0.01 -1.35 3.86 -1.34 -1.29 115.15 116.23 1ti6 h HIS 130 Ca 0.28 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.13 1ti6 h HIS 130 Cb 0.15 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 1ti6 h HIS 130 CO 0.02 0.00 -2.34 0.00 0.86 0.00 0.00 177.93 176.47 1ti6 n ALA 131 N -2.07 1.45 0.00 2.45 0.00 -0.80 -4.78 120.51 116.76 1ti6 n ALA 131 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1ti6 n ALA 131 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1ti6 n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ti6 n TYR 132 N -2.97 0.00 0.00 0.00 4.01 0.15 -5.08 117.16 113.26 1ti6 n TYR 132 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 1ti6 n TYR 132 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 1ti6 n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ti6 n GLY 133 N 1.71 2.20 0.38 2.72 0.00 -0.49 -4.58 105.19 107.13 1ti6 n GLY 133 Ca 0.00 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.26 1ti6 n GLY 133 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ti6 h PRO 134 N 0.00 0.10 0.00 1.61 0.11 -1.85 -1.57 132.00 130.39 1ti6 h PRO 134 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1ti6 h PRO 134 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1ti6 h PRO 134 CO 0.00 0.07 -0.04 0.66 -0.21 0.00 0.00 178.00 178.48 1ti6 h SER 135 N 0.11 0.00 0.57 -2.05 4.64 -1.87 -1.86 113.55 113.09 1ti6 h SER 135 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ti6 h SER 135 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ti6 h SER 135 CO -0.03 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1ti6 n ALA 136 N -2.18 2.03 -2.89 5.18 0.00 -0.59 -4.11 120.51 117.94 1ti6 n ALA 136 Ca -0.02 -0.09 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 1ti6 n ALA 136 Cb 0.17 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 1ti6 n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ti6 s ILE 137 N -2.80 5.22 0.22 0.00 1.01 -0.70 -0.66 121.20 123.49 1ti6 s ILE 137 Ca 0.15 -1.09 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1ti6 s ILE 137 Cb 0.14 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 1ti6 s ILE 137 CO 0.35 -0.59 0.70 -0.22 0.00 0.00 0.00 174.94 175.19 1ti6 s LEU 138 N 1.64 4.32 -0.03 2.97 2.96 0.13 -0.70 118.68 129.97 1ti6 s LEU 138 Ca 0.04 1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 55.06 1ti6 s LEU 138 Cb -0.24 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.92 1ti6 s LEU 138 CO 0.06 0.02 0.54 -0.55 -1.32 0.00 0.00 176.35 175.11 1ti6 s SER 139 N -1.71 -0.49 -0.29 3.68 0.15 -0.56 -0.01 113.70 114.47 1ti6 s SER 139 Ca 0.43 0.45 -0.18 0.00 0.70 0.00 0.00 55.95 57.35 1ti6 s SER 139 Cb -0.16 0.46 0.15 0.00 -1.71 0.00 0.00 66.02 64.77 1ti6 s SER 139 CO 0.20 -0.57 1.06 0.28 1.20 0.00 0.00 173.24 175.41 1ti6 s THR 140 N -1.39 0.00 0.00 6.45 -1.32 -1.14 -2.22 115.64 116.02 1ti6 s THR 140 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1ti6 s THR 140 Cb -0.02 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1ti6 s THR 140 CO 0.07 0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 171.67 1ti6 n PRO 141 N 3.24 3.46 -4.06 7.08 -0.04 -1.26 -2.46 135.00 140.95 1ti6 n PRO 141 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1ti6 n PRO 141 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 1ti6 n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 n SER 142 N 0.00 -0.76 -0.22 3.54 2.88 -1.26 -4.79 113.62 113.01 1ti6 n SER 142 Ca 0.00 -3.02 0.01 0.00 -1.33 0.00 0.00 58.87 54.52 1ti6 n SER 142 Cb 0.00 1.70 0.12 0.00 -0.75 0.00 0.00 64.21 65.28 1ti6 n SER 142 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ti6 h SER 143 N 1.92 0.33 -1.82 -3.46 0.02 -2.00 -3.44 113.55 105.10 1ti6 h SER 143 Ca -0.23 0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.26 1ti6 h SER 143 Cb 1.13 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1ti6 h SER 143 CO 0.33 0.19 -0.51 -1.00 -1.14 0.00 0.00 176.83 174.70 1ti6 s HIS 144 N -6.08 2.74 0.18 3.45 3.76 -1.26 -5.10 115.29 112.98 1ti6 s HIS 144 Ca -0.13 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.19 1ti6 s HIS 144 Cb 0.17 -1.73 0.05 0.00 1.11 0.00 0.00 32.58 32.18 1ti6 s HIS 144 CO 0.75 0.26 0.56 -1.58 -0.85 0.00 0.00 174.74 173.88 1ti6 s HIS 145 N -2.42 -0.32 0.39 1.40 5.04 -1.26 -5.07 115.29 113.06 1ti6 s HIS 145 Ca 0.39 0.03 -0.27 0.00 -1.54 0.00 0.00 55.06 53.68 1ti6 s HIS 145 Cb -0.03 0.48 -0.11 0.00 0.04 0.00 0.00 32.58 32.97 1ti6 s HIS 145 CO 0.24 -0.89 1.32 -1.33 -2.34 0.00 0.00 174.74 171.73 1ti6 n MET 146 N -0.35 2.11 -1.95 2.88 2.81 -1.26 -4.87 117.12 116.48 1ti6 n MET 146 Ca -0.13 0.75 -0.38 0.00 -1.81 0.00 0.00 57.70 56.12 1ti6 n MET 146 Cb 0.63 -2.42 0.02 0.00 -0.71 0.00 0.00 33.22 30.74 1ti6 n MET 146 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1ti6 s TRP 147 N -1.16 2.52 0.00 2.03 -0.00 -1.26 -4.76 118.94 116.31 1ti6 s TRP 147 Ca 0.58 1.42 0.00 0.00 -0.00 0.00 0.00 56.10 58.10 1ti6 s TRP 147 Cb -0.52 -3.66 0.00 0.00 -0.00 0.00 0.00 33.47 29.29 1ti6 s TRP 147 CO 0.60 -2.40 0.00 0.41 -0.00 0.00 0.00 176.95 175.56 1ti6 n GLY 148 N 0.62 3.38 0.22 5.86 0.00 -1.26 -4.75 105.19 109.26 1ti6 n GLY 148 Ca 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1ti6 n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ti6 h ASN 149 N 0.00 0.66 -0.36 1.61 4.21 -1.67 -1.36 115.58 118.67 1ti6 h ASN 149 Ca 0.00 -0.19 -0.12 0.00 1.21 0.00 0.00 56.30 57.20 1ti6 h ASN 149 Cb 0.00 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 1ti6 h ASN 149 CO 0.00 0.67 -0.24 0.58 -1.29 0.00 0.00 177.43 177.15 1ti6 h VAL 150 N 0.61 1.28 -0.01 2.81 2.07 -1.95 -3.12 116.25 117.95 1ti6 h VAL 150 Ca 0.15 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1ti6 h VAL 150 Cb 0.23 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1ti6 h VAL 150 CO -0.01 0.46 -0.09 0.61 0.02 0.00 0.00 177.57 178.56 1ti6 n GLY 151 N 0.02 -0.69 3.70 2.17 0.00 -1.22 -3.13 105.19 106.04 1ti6 n GLY 151 Ca -0.02 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1ti6 n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 152 N -2.31 1.83 0.54 1.61 5.04 -0.51 -4.48 117.35 119.06 1ti6 s TYR 152 Ca 0.33 1.66 0.20 0.00 -2.44 0.00 0.00 57.07 56.82 1ti6 s TYR 152 Cb 0.20 -3.50 1.39 0.00 0.35 0.00 0.00 41.96 40.40 1ti6 s TYR 152 CO 0.44 -2.85 2.13 0.07 -1.34 0.00 0.00 175.55 174.00 1ti6 h ARG 153 N -0.79 0.00 0.00 4.97 0.11 -1.90 0.53 114.38 117.30 1ti6 h ARG 153 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1ti6 h ARG 153 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1ti6 h ARG 153 CO 0.47 0.00 0.00 0.45 0.10 0.00 0.00 179.97 180.99 1ti6 h HIS 154 N 0.00 0.00 0.00 4.08 3.86 -1.90 -2.77 115.15 118.41 1ti6 h HIS 154 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1ti6 h HIS 154 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1ti6 h HIS 154 CO 0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1ti6 n SER 155 N -2.63 0.00 0.05 2.45 2.88 0.09 -4.51 113.62 111.95 1ti6 n SER 155 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.44 1ti6 n SER 155 Cb 0.33 -0.07 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 1ti6 n SER 155 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ti6 h THR 156 N 0.00 1.08 -0.01 2.46 2.02 -1.24 -1.66 112.91 115.56 1ti6 h THR 156 Ca 0.00 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.57 1ti6 h THR 156 Cb 0.00 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1ti6 h THR 156 CO 0.00 0.16 -0.26 0.22 0.37 0.00 0.00 175.52 176.01 1ti6 h TYR 157 N -0.42 -0.70 -0.60 3.16 3.20 -1.68 -2.39 116.97 117.53 1ti6 h TYR 157 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1ti6 h TYR 157 Cb 0.35 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1ti6 h TYR 157 CO 0.02 -0.35 0.28 0.74 -1.64 0.00 0.00 178.16 177.22 1ti6 h PHE 158 N -0.39 0.87 -0.68 -3.82 0.05 -1.54 -0.47 116.94 110.96 1ti6 h PHE 158 Ca 0.07 -0.05 0.09 0.00 3.82 0.00 0.00 57.97 61.90 1ti6 h PHE 158 Cb 0.48 -0.27 -0.07 0.00 2.00 0.00 0.00 35.95 38.10 1ti6 h PHE 158 CO -0.30 0.67 0.33 -0.09 -0.18 0.00 0.00 178.31 178.74 1ti6 h ARG 159 N 0.82 0.56 0.06 1.51 2.43 -1.00 -0.97 114.38 117.79 1ti6 h ARG 159 Ca 0.21 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1ti6 h ARG 159 Cb 0.13 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1ti6 h ARG 159 CO -0.02 0.37 -0.03 0.35 -1.51 0.00 0.00 179.97 179.12 1ti6 h PHE 160 N 0.57 -0.08 -0.99 2.20 3.57 -1.27 -3.30 116.94 117.65 1ti6 h PHE 160 Ca 0.33 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.94 1ti6 h PHE 160 Cb 0.34 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 1ti6 h PHE 160 CO -0.11 0.52 0.62 0.52 -2.23 0.00 0.00 178.31 177.63 1ti6 h MET 161 N -0.85 0.98 0.00 1.11 2.86 -0.99 -0.49 114.93 117.56 1ti6 h MET 161 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ti6 h MET 161 Cb 0.63 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ti6 h MET 161 CO 0.01 0.65 -0.08 -0.91 1.06 0.00 0.00 176.91 177.64 1ti6 h ASN 162 N 1.01 0.00 0.42 1.22 -0.26 -1.31 0.61 115.58 117.28 1ti6 h ASN 162 Ca 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.22 1ti6 h ASN 162 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1ti6 h ASN 162 CO -0.25 0.08 -0.30 0.23 -1.06 0.00 0.00 177.43 176.14 1ti6 n MET 163 N -4.14 0.44 -0.02 0.81 2.81 -0.25 -4.54 117.12 112.23 1ti6 n MET 163 Ca -0.03 -0.23 -0.06 0.00 -1.81 0.00 0.00 57.70 55.58 1ti6 n MET 163 Cb 0.17 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.16 1ti6 n MET 163 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ti6 n MET 164 N -1.08 0.23 0.00 0.03 0.00 -0.29 -5.11 117.12 110.90 1ti6 n MET 164 Ca 0.10 0.09 0.00 0.00 -0.00 0.00 0.00 57.70 57.89 1ti6 n MET 164 Cb 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 32.65 1ti6 n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 165 N 2.55 2.58 0.00 -5.12 0.00 0.05 -4.92 105.19 100.34 1ti6 n GLY 165 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ti6 n GLY 165 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ti6 n PHE 166 N 0.00 0.00 -3.44 1.61 1.16 -1.25 -4.81 117.46 110.74 1ti6 n PHE 166 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 1ti6 n PHE 166 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 1ti6 n PHE 166 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ti6 s THR 167 N -2.00 5.20 0.12 1.97 2.01 0.13 -4.42 115.64 118.64 1ti6 s THR 167 Ca 0.00 0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 1ti6 s THR 167 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1ti6 s THR 167 CO 0.00 0.04 0.69 -0.47 -0.69 0.00 0.00 174.62 174.18 1ti6 s TYR 168 N 1.98 3.86 -1.12 4.92 5.04 -1.26 -1.50 117.35 129.27 1ti6 s TYR 168 Ca 0.12 1.47 -0.12 0.00 -2.44 0.00 0.00 57.07 56.10 1ti6 s TYR 168 Cb -0.16 -2.65 0.23 0.00 0.35 0.00 0.00 41.96 39.72 1ti6 s TYR 168 CO 0.11 0.53 1.22 0.00 -1.34 0.00 0.00 175.55 176.07 1ti6 s ALA 169 N -1.07 4.35 0.37 3.97 0.00 -0.94 -1.74 121.76 126.69 1ti6 s ALA 169 Ca 0.33 -3.58 -0.27 0.00 0.00 0.00 0.00 51.96 48.44 1ti6 s ALA 169 Cb -0.21 -3.81 -0.11 0.00 0.00 0.00 0.00 23.12 18.98 1ti6 s ALA 169 CO 0.23 -2.47 1.26 -3.47 0.00 0.00 0.00 175.76 171.31 1ti6 n ASP 170 N 4.11 2.56 -4.72 0.00 -0.08 -0.78 -4.34 116.55 113.29 1ti6 n ASP 170 Ca 0.28 1.17 -0.41 0.00 -1.51 0.00 0.00 54.79 54.32 1ti6 n ASP 170 Cb 0.42 -1.47 -0.04 0.00 2.34 0.00 0.00 41.12 42.36 1ti6 n ASP 170 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1ti6 s HIS 171 N -1.14 3.72 0.65 -0.67 3.76 -1.26 -1.69 115.29 118.66 1ti6 s HIS 171 Ca 0.58 1.71 -0.16 0.00 -0.15 0.00 0.00 55.06 57.04 1ti6 s HIS 171 Cb -0.55 -3.13 -0.00 0.00 1.11 0.00 0.00 32.58 30.01 1ti6 s HIS 171 CO 0.61 -0.06 1.14 0.54 -0.85 0.00 0.00 174.74 176.12 1ti6 s ASN 172 N 0.34 5.05 -1.32 1.40 4.22 -1.26 -3.54 114.94 119.82 1ti6 s ASN 172 Ca 0.49 2.11 -0.10 0.00 -2.14 0.00 0.00 52.86 53.22 1ti6 s ASN 172 Cb -0.24 -2.57 -0.07 0.00 1.28 0.00 0.00 41.25 39.66 1ti6 s ASN 172 CO 0.30 -1.67 2.52 -0.81 -2.04 0.00 0.00 177.10 175.40 1ti6 n PRO 173 N -2.24 2.92 -0.37 3.55 -0.04 -1.26 -4.77 135.00 132.78 1ti6 n PRO 173 Ca 0.11 -2.00 -0.09 0.00 -0.04 0.00 0.00 63.50 61.48 1ti6 n PRO 173 Cb 0.51 -2.77 -0.06 0.00 -0.04 0.00 0.00 33.50 31.14 1ti6 n PRO 173 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ti6 h ASP 174 N 5.76 -1.93 -0.84 3.54 3.04 -1.98 0.28 116.42 124.30 1ti6 h ASP 174 Ca 0.68 0.31 0.12 0.00 -3.24 0.00 0.00 57.03 54.91 1ti6 h ASP 174 Cb 0.32 0.88 -0.06 0.00 -1.04 0.00 0.00 39.33 39.43 1ti6 h ASP 174 CO 1.71 -0.26 0.54 0.28 -2.04 0.00 0.00 179.24 179.47 1ti6 h SER 175 N -0.05 0.64 -0.00 4.15 0.02 -2.00 -3.14 113.55 113.17 1ti6 h SER 175 Ca 0.20 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ti6 h SER 175 Cb 0.48 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1ti6 h SER 175 CO -0.91 0.35 -0.76 0.79 -1.14 0.00 0.00 176.83 175.16 1ti6 n TRP 176 N -4.53 0.00 0.00 3.45 8.01 -0.33 -4.50 117.44 119.54 1ti6 n TRP 176 Ca 0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 1ti6 n TRP 176 Cb 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 1ti6 n TRP 176 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1ti6 n GLU 177 N -1.17 0.00 -0.33 -0.99 -0.58 0.84 0.50 120.64 118.91 1ti6 n GLU 177 Ca 0.04 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1ti6 n GLU 177 Cb 0.30 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.41 1ti6 n GLU 177 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ti6 h GLY 178 N 0.00 1.55 1.53 0.62 0.00 -0.55 0.23 103.07 106.45 1ti6 h GLY 178 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1ti6 h GLY 178 CO 0.00 0.06 -0.52 1.49 0.00 0.00 0.00 176.54 177.58 1ti6 h TRP 179 N 0.82 0.62 0.17 5.60 4.06 -0.21 -1.21 115.95 125.80 1ti6 h TRP 179 Ca 0.49 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.22 1ti6 h TRP 179 Cb 0.59 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1ti6 h TRP 179 CO -0.03 0.91 -0.08 1.25 -3.56 0.00 0.00 178.44 176.93 1ti6 h HIS 180 N 0.39 -0.21 0.00 0.49 2.76 -0.09 0.86 115.15 119.35 1ti6 h HIS 180 Ca 0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1ti6 h HIS 180 Cb 1.04 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1ti6 h HIS 180 CO 0.04 0.22 -0.22 0.91 -1.30 0.00 0.00 177.93 177.58 1ti6 n TRP 181 N -4.93 0.33 0.06 5.26 7.02 -0.04 -4.22 117.44 120.92 1ti6 n TRP 181 Ca -0.08 0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1ti6 n TRP 181 Cb 0.26 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 28.56 1ti6 n TRP 181 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ti6 n GLY 182 N 1.42 -0.06 0.36 6.99 0.00 -0.53 -4.83 105.19 108.55 1ti6 n GLY 182 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1ti6 n GLY 182 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 183 N 0.00 1.66 0.29 -0.02 0.00 -0.90 -2.40 103.07 101.70 1ti6 h GLY 183 Ca 0.00 -0.42 0.17 0.00 0.00 0.00 0.00 47.33 47.08 1ti6 h GLY 183 CO 0.00 0.14 0.61 1.98 0.00 0.00 0.00 176.54 179.28 1ti6 h MET 184 N 0.98 0.74 0.00 4.80 -1.53 -1.01 0.18 114.93 119.08 1ti6 h MET 184 Ca 0.50 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.71 1ti6 h MET 184 Cb 0.52 -0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.40 1ti6 h MET 184 CO -0.27 0.49 -0.07 0.45 0.14 0.00 0.00 176.91 177.65 1ti6 h HIS 185 N 0.76 0.00 0.08 1.39 3.86 -1.71 0.13 115.15 119.66 1ti6 h HIS 185 Ca 0.53 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.39 1ti6 h HIS 185 Cb 0.82 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 1ti6 h HIS 185 CO -0.00 0.07 -1.93 -0.12 0.86 0.00 0.00 177.93 176.81 1ti6 n MET 186 N -3.20 0.71 0.00 2.45 0.00 0.53 -4.59 117.12 113.02 1ti6 n MET 186 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.97 1ti6 n MET 186 Cb 0.34 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1ti6 n MET 186 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 1ti6 n TRP 187 N -3.32 0.00 0.00 1.12 4.27 -0.59 -0.32 117.44 118.60 1ti6 n TRP 187 Ca -0.28 -0.01 0.00 0.00 -3.89 0.00 0.00 57.50 53.32 1ti6 n TRP 187 Cb 1.05 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 31.00 1ti6 n TRP 187 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ti6 n GLY 188 N -0.01 0.87 3.30 -1.67 0.00 0.45 -4.37 105.19 103.76 1ti6 n GLY 188 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1ti6 n GLY 188 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 189 N 10.48 -2.05 -0.08 1.61 3.01 -1.26 -4.23 117.46 124.94 1ti6 n PHE 189 Ca 0.00 0.60 0.06 0.00 1.01 0.00 0.00 57.45 59.13 1ti6 n PHE 189 Cb 0.00 -4.01 0.41 0.00 -0.01 0.00 0.00 39.48 35.87 1ti6 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ti6 h SER 190 N -1.48 0.52 0.54 4.37 4.64 -1.90 0.12 113.55 120.35 1ti6 h SER 190 Ca -0.51 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ti6 h SER 190 Cb 1.34 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ti6 h SER 190 CO 0.57 0.35 0.00 -2.67 -0.87 0.00 0.00 176.83 174.21 1ti6 n TRP 191 N -4.47 0.53 -0.51 4.77 2.14 -1.13 -0.57 117.44 118.21 1ti6 n TRP 191 Ca 0.07 0.22 0.06 0.00 2.07 0.00 0.00 57.50 59.92 1ti6 n TRP 191 Cb 0.17 -0.85 0.15 0.00 -0.81 0.00 0.00 31.31 29.97 1ti6 n TRP 191 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1ti6 n ARG 192 N -2.00 2.69 -3.06 -2.67 1.74 -0.16 -4.36 116.66 108.83 1ti6 n ARG 192 Ca 0.02 -2.25 -0.22 0.00 -0.77 0.00 0.00 57.85 54.64 1ti6 n ARG 192 Cb 0.18 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 1ti6 n ARG 192 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ti6 n LEU 193 N -0.27 -2.12 0.00 0.55 4.77 0.27 -2.21 117.00 117.99 1ti6 n LEU 193 Ca 0.13 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1ti6 n LEU 193 Cb 0.56 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.04 1ti6 n LEU 193 CO 0.07 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1ti6 n GLY 194 N -1.32 2.54 3.84 -0.72 0.00 0.23 -2.79 105.19 106.97 1ti6 n GLY 194 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1ti6 n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ti6 s ASN 195 N -1.31 6.70 0.51 1.61 0.01 -0.94 -4.69 114.94 116.83 1ti6 s ASN 195 Ca 0.00 1.59 -0.05 0.00 -0.71 0.00 0.00 52.86 53.69 1ti6 s ASN 195 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ti6 s ASN 195 CO 0.00 -0.53 0.81 -2.16 -1.51 0.00 0.00 177.10 173.71 1ti6 s PRO 196 N -3.85 3.33 0.77 -0.60 0.04 -1.26 -4.68 135.00 128.74 1ti6 s PRO 196 Ca 0.59 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1ti6 s PRO 196 Cb -0.10 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.13 1ti6 s PRO 196 CO 0.27 -0.35 1.08 -1.83 0.04 0.00 0.00 177.00 176.21 1ti6 s GLU 197 N -4.79 2.33 0.00 4.56 -1.05 -1.26 -4.94 118.70 113.55 1ti6 s GLU 197 Ca 0.49 0.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.26 1ti6 s GLU 197 Cb -0.10 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 1ti6 s GLU 197 CO 0.44 -1.53 0.50 1.04 0.95 0.00 0.00 175.26 176.66 1ti6 n GLN 198 N -3.42 0.42 -1.53 -4.83 1.13 -1.26 -4.82 117.38 103.08 1ti6 n GLN 198 Ca 0.08 -0.57 -0.49 0.00 -1.94 0.00 0.00 57.00 54.08 1ti6 n GLN 198 Cb 0.54 -0.59 -0.04 0.00 0.11 0.00 0.00 30.24 30.26 1ti6 n GLN 198 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1ti6 n TYR 199 N -0.08 0.75 -2.58 1.08 4.02 -1.26 -2.99 117.16 116.09 1ti6 n TYR 199 Ca 0.00 0.80 -0.11 0.00 -0.01 0.00 0.00 57.90 58.58 1ti6 n TYR 199 Cb 0.40 -2.17 -0.00 0.00 -0.02 0.00 0.00 39.34 37.55 1ti6 n TYR 199 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1ti6 n ASP 200 N 1.76 -3.17 0.16 7.72 10.43 -1.24 -1.29 116.55 130.92 1ti6 n ASP 200 Ca 0.15 0.19 0.05 0.00 2.57 0.00 0.00 54.79 57.74 1ti6 n ASP 200 Cb 0.25 -2.72 0.06 0.00 1.84 0.00 0.00 41.12 40.55 1ti6 n ASP 200 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1ti6 h LEU 201 N -0.13 0.00 0.16 0.64 3.38 -1.42 -3.31 115.31 114.63 1ti6 h LEU 201 Ca -0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1ti6 h LEU 201 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1ti6 h LEU 201 CO 0.29 0.37 -0.19 0.25 0.09 0.00 0.00 178.44 179.25 1ti6 h LEU 202 N 0.00 -0.53 -0.90 1.67 5.85 -1.58 0.25 115.31 120.06 1ti6 h LEU 202 Ca -0.00 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ti6 h LEU 202 Cb 1.28 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 1ti6 h LEU 202 CO 0.05 -0.28 0.39 -0.08 -0.34 0.00 0.00 178.44 178.17 1ti6 h GLU 203 N -0.40 1.18 -0.39 1.25 4.81 -1.78 0.48 114.58 119.73 1ti6 h GLU 203 Ca 0.01 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1ti6 h GLU 203 Cb 0.39 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1ti6 h GLU 203 CO -0.07 0.91 0.24 0.22 -0.73 0.00 0.00 179.01 179.58 1ti6 h ASP 204 N 1.17 0.41 -0.48 1.04 1.82 -1.50 -1.37 116.42 117.51 1ti6 h ASP 204 Ca 0.28 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.83 1ti6 h ASP 204 Cb 0.12 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1ti6 h ASP 204 CO -0.03 0.30 -0.04 1.23 -1.61 0.00 0.00 179.24 179.08 1ti6 h GLY 205 N 0.50 0.94 1.63 -0.78 0.00 -0.10 -0.80 103.07 104.47 1ti6 h GLY 205 Ca 0.15 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1ti6 h GLY 205 CO -0.05 0.67 0.15 1.41 0.00 0.00 0.00 176.54 178.72 1ti6 h LEU 206 N 0.72 0.43 0.02 3.11 3.38 -0.62 0.14 115.31 122.49 1ti6 h LEU 206 Ca 0.13 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 1ti6 h LEU 206 Cb 0.57 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1ti6 h LEU 206 CO 0.03 0.38 -1.40 0.11 0.09 0.00 0.00 178.44 177.65 1ti6 h LYS 207 N 0.48 0.05 0.00 1.13 1.57 -1.07 -3.43 116.57 115.31 1ti6 h LYS 207 Ca 0.12 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1ti6 h LYS 207 Cb 0.08 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ti6 h LYS 207 CO -0.02 0.81 -0.62 0.72 -0.57 0.00 0.00 179.45 179.77 1ti6 n HIS 208 N -3.24 0.00 -1.86 -1.35 8.25 -0.32 -4.83 115.22 111.87 1ti6 n HIS 208 Ca -0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.94 1ti6 n HIS 208 Cb 1.01 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.10 1ti6 n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ti6 s ALA 209 N -1.53 3.69 0.00 -1.41 0.00 0.02 -4.69 121.76 117.84 1ti6 s ALA 209 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1ti6 s ALA 209 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1ti6 s ALA 209 CO 0.00 -0.90 0.00 0.39 0.00 0.00 0.00 175.76 175.25 1ti6 n GLU 210 N 2.07 1.94 -3.57 0.00 1.02 -0.49 -4.77 120.64 116.85 1ti6 n GLU 210 Ca 0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1ti6 n GLU 210 Cb 0.39 -0.96 -0.07 0.00 -0.02 0.00 0.00 31.44 30.78 1ti6 n GLU 210 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1ti6 s MET 211 N -1.87 0.98 -0.05 3.49 0.00 -1.00 -1.91 119.30 118.94 1ti6 s MET 211 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 55.69 55.88 1ti6 s MET 211 Cb 0.00 0.46 0.02 0.00 0.00 0.00 0.00 34.83 35.31 1ti6 s MET 211 CO 0.00 -0.30 -0.06 0.42 0.00 0.00 0.00 175.02 175.08 1ti6 s ILE 212 N -1.20 0.64 -0.45 10.11 1.01 0.26 -1.66 121.20 129.92 1ti6 s ILE 212 Ca -0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1ti6 s ILE 212 Cb -0.01 -0.65 0.08 0.00 0.01 0.00 0.00 42.46 41.90 1ti6 s ILE 212 CO 0.09 0.25 0.32 -0.69 0.00 0.00 0.00 174.94 174.91 1ti6 s VAL 213 N 0.87 4.58 -0.64 2.92 1.01 -0.60 -1.46 120.40 127.09 1ti6 s VAL 213 Ca -0.12 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 1ti6 s VAL 213 Cb -0.15 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1ti6 s VAL 213 CO 0.01 -0.57 1.06 -0.36 0.00 0.00 0.00 175.10 175.23 1ti6 s PHE 214 N 1.49 2.61 -0.29 5.22 0.08 0.14 -0.42 117.98 126.81 1ti6 s PHE 214 Ca 0.04 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.84 1ti6 s PHE 214 Cb -0.24 -4.33 0.01 0.00 -0.57 0.00 0.00 43.02 37.89 1ti6 s PHE 214 CO 0.03 -1.66 0.07 -0.46 -0.10 0.00 0.00 175.22 173.10 1ti6 s TRP 215 N 4.52 3.14 -1.44 0.36 -0.11 -0.23 -0.68 118.94 124.50 1ti6 s TRP 215 Ca 0.30 -1.01 -0.11 0.00 1.22 0.00 0.00 56.10 56.50 1ti6 s TRP 215 Cb -0.13 -2.24 0.05 0.00 -1.50 0.00 0.00 33.47 29.65 1ti6 s TRP 215 CO 0.15 -0.58 1.06 0.45 -4.62 0.00 0.00 176.95 173.41 1ti6 n SER 216 N 4.85 -5.18 -3.87 5.86 2.88 -0.32 -1.80 113.62 116.04 1ti6 n SER 216 Ca -0.15 -0.68 -0.24 0.00 -1.33 0.00 0.00 58.87 56.47 1ti6 n SER 216 Cb 0.48 -4.41 -0.17 0.00 -0.75 0.00 0.00 64.21 59.36 1ti6 n SER 216 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ti6 s SER 217 N -3.40 1.74 -0.51 -3.46 0.15 -1.26 -3.42 113.70 103.53 1ti6 s SER 217 Ca 0.58 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 57.10 1ti6 s SER 217 Cb -0.27 -0.64 0.23 0.00 -1.71 0.00 0.00 66.02 63.63 1ti6 s SER 217 CO 0.79 -0.12 0.56 -0.67 1.20 0.00 0.00 173.24 175.00 1ti6 n ASP 218 N 4.78 1.57 -0.32 5.45 -0.08 -1.26 -4.87 116.55 121.82 1ti6 n ASP 218 Ca -0.13 -2.95 0.14 0.00 -1.51 0.00 0.00 54.79 50.33 1ti6 n ASP 218 Cb 0.50 -0.65 0.32 0.00 2.34 0.00 0.00 41.12 43.63 1ti6 n ASP 218 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ti6 h PRO 219 N 4.46 0.49 -0.21 -0.67 0.11 -1.90 -1.78 132.00 132.50 1ti6 h PRO 219 Ca 0.15 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ti6 h PRO 219 Cb 0.80 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1ti6 h PRO 219 CO 0.60 0.32 0.13 0.93 -0.21 0.00 0.00 178.00 179.77 1ti6 h GLU 220 N 0.50 0.28 0.39 1.05 4.39 -1.94 0.71 114.58 119.96 1ti6 h GLU 220 Ca 0.57 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1ti6 h GLU 220 Cb 1.04 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1ti6 h GLU 220 CO -0.48 0.22 -0.19 1.15 -1.16 0.00 0.00 179.01 178.55 1ti6 h THR 221 N 0.26 0.53 0.00 1.13 2.02 -1.78 -3.35 112.91 111.71 1ti6 h THR 221 Ca 0.07 -0.56 -0.16 0.00 0.77 0.00 0.00 66.41 66.54 1ti6 h THR 221 Cb 0.01 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1ti6 h THR 221 CO -0.01 0.09 -0.87 0.78 0.37 0.00 0.00 175.52 175.88 1ti6 h ASN 222 N -0.88 0.00 -0.75 4.18 2.35 -1.39 -3.48 115.58 115.61 1ti6 h ASN 222 Ca -0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.46 1ti6 h ASN 222 Cb 0.54 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.82 1ti6 h ASN 222 CO 0.09 0.71 -0.21 -1.54 -1.65 0.00 0.00 177.43 174.83 1ti6 n SER 223 N -3.21 -4.81 0.00 5.81 3.41 0.25 -2.73 113.62 112.34 1ti6 n SER 223 Ca -0.01 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ti6 n SER 223 Cb 0.84 -3.78 0.00 0.00 -0.26 0.00 0.00 64.21 61.00 1ti6 n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 224 N 0.09 2.07 3.65 5.00 0.00 -1.25 -4.32 105.19 110.42 1ti6 n GLY 224 Ca -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1ti6 n GLY 224 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ti6 s ILE 225 N 0.00 0.00 0.00 -0.61 2.07 -1.10 -4.69 121.20 116.86 1ti6 s ILE 225 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1ti6 s ILE 225 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 1ti6 s ILE 225 CO 0.00 0.00 0.00 -1.22 -1.91 0.00 0.00 174.94 171.81 1ti6 n TYR 226 N 2.35 0.00 -1.48 3.50 0.53 -1.25 -4.87 117.16 115.94 1ti6 n TYR 226 Ca -0.14 0.00 -0.19 0.00 -1.02 0.00 0.00 57.90 56.55 1ti6 n TYR 226 Cb 0.56 -1.77 0.14 0.00 -1.03 0.00 0.00 39.34 37.24 1ti6 n TYR 226 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ti6 n ALA 227 N 1.00 5.19 -0.11 -0.72 0.00 -1.26 -3.91 120.51 120.69 1ti6 n ALA 227 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1ti6 n ALA 227 Cb 0.40 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1ti6 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 228 N -1.01 2.16 1.87 0.00 0.00 -1.26 -1.73 105.19 105.21 1ti6 n GLY 228 Ca 0.48 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.84 1ti6 n GLY 228 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ti6 n PHE 229 N 8.97 1.31 -0.28 1.61 3.01 -1.26 -4.65 117.46 126.17 1ti6 n PHE 229 Ca 0.00 -1.76 0.06 0.00 1.01 0.00 0.00 57.45 56.76 1ti6 n PHE 229 Cb 0.00 -0.26 0.28 0.00 -0.01 0.00 0.00 39.48 39.49 1ti6 n PHE 229 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ti6 h GLU 230 N 1.86 0.90 -0.00 -1.08 4.39 -1.65 -2.69 114.58 116.31 1ti6 h GLU 230 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ti6 h GLU 230 Cb 1.41 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1ti6 h GLU 230 CO 0.33 0.60 -0.06 -1.13 -1.16 0.00 0.00 179.01 177.59 1ti6 n SER 231 N -4.51 0.16 -0.13 1.42 3.41 -1.26 -4.24 113.62 108.47 1ti6 n SER 231 Ca 0.14 -0.21 -0.04 0.00 -0.26 0.00 0.00 58.87 58.50 1ti6 n SER 231 Cb 0.26 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1ti6 n SER 231 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1ti6 h ASN 232 N 0.17 -0.24 0.33 4.04 -0.73 -1.86 -1.64 115.58 115.65 1ti6 h ASN 232 Ca 0.00 0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.24 1ti6 h ASN 232 Cb 0.34 0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1ti6 h ASN 232 CO 0.00 -0.08 -0.19 -0.29 -0.37 0.00 0.00 177.43 176.51 1ti6 h ILE 233 N 0.08 0.86 -0.31 2.57 2.10 -1.81 -2.48 117.51 118.52 1ti6 h ILE 233 Ca 0.21 -0.71 -0.13 0.00 1.08 0.00 0.00 64.86 65.31 1ti6 h ILE 233 Cb 0.31 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1ti6 h ILE 233 CO -0.38 0.18 -0.30 0.03 -1.08 0.00 0.00 178.15 176.61 1ti6 h ARG 234 N 0.00 0.75 0.00 2.19 3.08 -1.56 -0.76 114.38 118.07 1ti6 h ARG 234 Ca -0.00 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 1ti6 h ARG 234 Cb 0.40 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1ti6 h ARG 234 CO 0.02 1.01 -0.41 0.00 -1.07 0.00 0.00 179.97 179.53 1ti6 h ARG 235 N 0.51 0.00 -0.48 0.04 3.08 -1.28 -1.82 114.38 114.43 1ti6 h ARG 235 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1ti6 h ARG 235 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1ti6 h ARG 235 CO 0.07 0.41 0.09 0.37 -1.07 0.00 0.00 179.97 179.85 1ti6 h GLN 236 N 0.00 0.79 -0.24 0.04 5.75 -1.08 0.01 115.11 120.37 1ti6 h GLN 236 Ca -0.00 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1ti6 h GLN 236 Cb 0.82 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1ti6 h GLN 236 CO 0.05 0.79 0.15 -1.49 -2.65 0.00 0.00 178.83 175.68 1ti6 h TRP 237 N 0.67 0.32 -0.29 3.99 6.55 -0.65 -0.62 115.95 125.92 1ti6 h TRP 237 Ca 0.15 0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.00 1ti6 h TRP 237 Cb 0.37 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.55 1ti6 h TRP 237 CO 0.03 0.24 0.17 -0.07 -1.05 0.00 0.00 178.44 177.76 1ti6 h LEU 238 N 0.31 0.29 -0.79 -4.49 3.38 -1.14 -1.37 115.31 111.50 1ti6 h LEU 238 Ca 0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1ti6 h LEU 238 Cb 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1ti6 h LEU 238 CO -0.02 0.21 0.48 0.50 0.09 0.00 0.00 178.44 179.71 1ti6 h LYS 239 N 0.36 0.86 0.00 1.13 3.64 -0.76 -0.74 116.57 121.07 1ti6 h LYS 239 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ti6 h LYS 239 Cb -0.01 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1ti6 h LYS 239 CO -0.05 0.57 0.00 -0.44 -2.27 0.00 0.00 179.45 177.26 1ti6 h ASP 240 N 0.89 0.00 0.50 4.20 3.32 -0.61 -1.96 116.42 122.76 1ti6 h ASP 240 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1ti6 h ASP 240 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ti6 h ASP 240 CO -0.17 0.00 -0.29 0.18 -1.72 0.00 0.00 179.24 177.25 1ti6 n LEU 241 N -2.35 0.51 0.00 1.55 4.77 -0.35 -4.93 117.00 116.20 1ti6 n LEU 241 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ti6 n LEU 241 Cb 0.31 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1ti6 n LEU 241 CO 0.24 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ti6 n GLY 242 N 1.42 0.93 3.72 -0.72 0.00 -0.74 -5.07 105.19 104.74 1ti6 n GLY 242 Ca 0.09 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ti6 n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 243 N -2.00 3.88 0.13 1.61 1.01 -0.78 -4.94 120.40 119.32 1ti6 s VAL 243 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 1ti6 s VAL 243 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1ti6 s VAL 243 CO 0.00 0.13 0.80 -1.81 0.00 0.00 0.00 175.10 174.23 1ti6 s ASP 244 N 0.86 7.37 -0.23 3.32 1.01 -0.80 -4.55 116.67 123.65 1ti6 s ASP 244 Ca 0.58 1.63 -0.03 0.00 0.71 0.00 0.00 52.55 55.44 1ti6 s ASP 244 Cb -0.31 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.12 1ti6 s ASP 244 CO 0.31 0.13 -0.06 -0.36 0.21 0.00 0.00 175.17 175.40 1ti6 s PHE 245 N -0.74 2.97 -0.14 4.23 2.99 -1.26 -0.57 117.98 125.46 1ti6 s PHE 245 Ca 0.38 -1.14 0.01 0.00 0.00 0.00 0.00 56.93 56.17 1ti6 s PHE 245 Cb -0.23 -2.08 -0.01 0.00 0.00 0.00 0.00 43.02 40.70 1ti6 s PHE 245 CO 0.26 -0.62 -0.16 0.08 -0.00 0.00 0.00 175.22 174.78 1ti6 s VAL 246 N 1.43 2.68 -0.13 -0.44 1.01 -0.53 -0.61 120.40 123.80 1ti6 s VAL 246 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1ti6 s VAL 246 Cb -0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1ti6 s VAL 246 CO -0.04 0.53 -0.10 -0.36 0.00 0.00 0.00 175.10 175.13 1ti6 s PHE 247 N 0.59 2.88 -0.29 5.22 0.40 -0.08 0.26 117.98 126.96 1ti6 s PHE 247 Ca -0.09 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1ti6 s PHE 247 Cb -0.16 -1.87 0.06 0.00 0.51 0.00 0.00 43.02 41.57 1ti6 s PHE 247 CO 0.03 -0.11 -0.05 0.42 0.70 0.00 0.00 175.22 176.22 1ti6 s ILE 248 N 0.25 2.49 -0.28 0.64 1.01 0.14 -0.14 121.20 125.30 1ti6 s ILE 248 Ca -0.07 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 58.78 1ti6 s ILE 248 Cb -0.15 -2.50 0.11 0.00 0.01 0.00 0.00 42.46 39.94 1ti6 s ILE 248 CO 0.04 -0.13 0.84 -0.62 0.00 0.00 0.00 174.94 175.07 1ti6 s ASP 249 N 1.16 -0.71 0.42 3.58 -1.08 -0.55 -1.18 116.67 118.31 1ti6 s ASP 249 Ca -0.05 1.16 0.19 0.00 -0.52 0.00 0.00 52.55 53.32 1ti6 s ASP 249 Cb -0.20 1.28 1.11 0.00 -1.46 0.00 0.00 42.92 43.65 1ti6 s ASP 249 CO -0.04 -0.18 1.83 -0.65 0.52 0.00 0.00 175.17 176.65 1ti6 h PRO 250 N 6.33 0.37 -5.55 4.34 0.11 -1.78 -3.36 132.00 132.47 1ti6 h PRO 250 Ca -0.29 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.15 1ti6 h PRO 250 Cb 1.21 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.04 1ti6 h PRO 250 CO 0.17 0.25 -0.65 -1.58 -0.21 0.00 0.00 178.00 175.98 1ti6 s HIS 251 N -5.42 3.07 -0.93 0.65 5.65 -1.26 -4.07 115.29 112.98 1ti6 s HIS 251 Ca -0.08 -0.11 -0.24 0.00 0.25 0.00 0.00 55.06 54.88 1ti6 s HIS 251 Cb 0.23 -1.90 -0.04 0.00 -1.18 0.00 0.00 32.58 29.69 1ti6 s HIS 251 CO 0.79 0.14 1.90 1.41 -0.65 0.00 0.00 174.74 178.33 1ti6 s MET 252 N -0.06 2.65 1.24 2.88 1.75 -0.61 -4.92 119.30 122.23 1ti6 s MET 252 Ca 0.02 -0.41 -0.16 0.00 -1.25 0.00 0.00 55.69 53.89 1ti6 s MET 252 Cb -0.13 -5.10 0.30 0.00 2.84 0.00 0.00 34.83 32.75 1ti6 s MET 252 CO 0.02 -3.30 1.01 0.54 -0.65 0.00 0.00 175.02 172.64 1ti6 s ASN 253 N 7.68 0.44 0.45 1.11 2.20 -1.26 -4.56 114.94 121.00 1ti6 s ASN 253 Ca 0.68 1.18 0.13 0.00 -0.94 0.00 0.00 52.86 53.91 1ti6 s ASN 253 Cb -0.06 -1.79 1.02 0.00 -2.00 0.00 0.00 41.25 38.42 1ti6 s ASN 253 CO -0.01 -4.48 2.03 0.45 -2.94 0.00 0.00 177.10 172.14 1ti6 h HIS 254 N -2.82 0.09 -0.12 1.54 3.86 -1.94 0.14 115.15 115.91 1ti6 h HIS 254 Ca -0.55 -0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.44 1ti6 h HIS 254 Cb 1.34 -0.03 0.01 0.00 1.06 0.00 0.00 27.41 29.79 1ti6 h HIS 254 CO -1.00 0.18 -0.77 1.15 0.86 0.00 0.00 177.93 178.34 1ti6 h THR 255 N 0.09 1.29 -0.65 2.45 2.02 -1.90 -2.78 112.91 113.43 1ti6 h THR 255 Ca 0.02 -2.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1ti6 h THR 255 Cb 0.21 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1ti6 h THR 255 CO 0.01 0.62 0.38 0.00 0.37 0.00 0.00 175.52 176.90 1ti6 h ALA 256 N 0.50 0.84 -0.03 6.16 0.00 -1.65 0.19 119.26 125.27 1ti6 h ALA 256 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ti6 h ALA 256 Cb 1.41 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ti6 h ALA 256 CO 0.16 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.71 1ti6 h ARG 257 N 0.89 0.05 0.05 0.00 3.08 -0.74 -1.18 114.38 116.53 1ti6 h ARG 257 Ca 0.23 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.10 1ti6 h ARG 257 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ti6 h ARG 257 CO -0.04 0.08 -0.91 1.25 -1.07 0.00 0.00 179.97 179.29 1ti6 h LEU 258 N 0.05 0.16 -2.19 3.04 5.85 -1.04 -3.44 115.31 117.74 1ti6 h LEU 258 Ca 0.01 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.93 1ti6 h LEU 258 Cb 0.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1ti6 h LEU 258 CO 0.00 1.38 -0.25 1.33 -0.34 0.00 0.00 178.44 180.56 1ti6 n VAL 259 N -4.29 0.57 -2.23 1.05 0.24 -0.03 -5.09 118.33 108.55 1ti6 n VAL 259 Ca -0.22 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.34 61.00 1ti6 n VAL 259 Cb 0.70 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 1ti6 n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ti6 s ALA 260 N -0.83 3.49 -0.12 2.33 0.00 -0.45 -4.70 121.76 121.48 1ti6 s ALA 260 Ca 0.08 1.12 0.19 0.00 0.00 0.00 0.00 51.96 53.36 1ti6 s ALA 260 Cb 0.07 -3.45 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 1ti6 s ALA 260 CO 0.01 -0.49 0.54 -0.25 0.00 0.00 0.00 175.76 175.56 1ti6 n ASP 261 N 1.59 0.37 -3.62 0.00 9.92 0.22 -4.94 116.55 120.09 1ti6 n ASP 261 Ca 0.02 0.16 -0.15 0.00 -0.53 0.00 0.00 54.79 54.30 1ti6 n ASP 261 Cb 0.43 0.96 -0.07 0.00 -0.64 0.00 0.00 41.12 41.79 1ti6 n ASP 261 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1ti6 s LYS 262 N -3.02 0.84 -0.06 -1.24 2.47 -1.15 -5.03 119.74 112.54 1ti6 s LYS 262 Ca -0.06 0.83 0.02 0.00 -1.56 0.00 0.00 55.97 55.20 1ti6 s LYS 262 Cb 0.10 0.41 0.01 0.00 -1.46 0.00 0.00 37.83 36.88 1ti6 s LYS 262 CO 0.84 -0.13 -0.12 -0.46 0.16 0.00 0.00 175.35 175.64 1ti6 s TRP 263 N 0.09 1.41 -0.08 4.03 -0.00 -1.26 -0.91 118.94 122.23 1ti6 s TRP 263 Ca -0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 56.10 55.59 1ti6 s TRP 263 Cb -0.04 -1.03 -0.03 0.00 -0.00 0.00 0.00 33.47 32.37 1ti6 s TRP 263 CO 0.02 -0.25 -0.07 -0.06 -0.00 0.00 0.00 176.95 176.59 1ti6 s PHE 264 N 0.59 2.94 -0.65 5.86 0.08 0.80 -4.98 117.98 122.60 1ti6 s PHE 264 Ca -0.13 -0.03 0.05 0.00 0.12 0.00 0.00 56.93 56.94 1ti6 s PHE 264 Cb -0.15 -1.74 0.16 0.00 -0.57 0.00 0.00 43.02 40.73 1ti6 s PHE 264 CO 0.03 0.28 0.44 0.45 -0.10 0.00 0.00 175.22 176.33 1ti6 s SER 265 N -0.67 4.52 0.51 1.36 0.15 -1.26 -1.48 113.70 116.82 1ti6 s SER 265 Ca 0.10 -3.65 -0.20 0.00 0.70 0.00 0.00 55.95 52.90 1ti6 s SER 265 Cb -0.11 -1.55 -0.07 0.00 -1.71 0.00 0.00 66.02 62.57 1ti6 s SER 265 CO 0.02 -0.12 1.06 -2.16 1.20 0.00 0.00 173.24 173.25 1ti6 s PRO 266 N -1.15 3.65 0.71 5.44 0.04 -1.26 -4.68 135.00 137.75 1ti6 s PRO 266 Ca 0.24 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1ti6 s PRO 266 Cb -0.08 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ti6 s PRO 266 CO -0.14 -0.57 1.15 0.15 0.04 0.00 0.00 177.00 177.64 1ti6 s LYS 267 N -3.29 2.38 0.39 4.56 1.02 -0.47 -4.16 119.74 120.17 1ti6 s LYS 267 Ca 0.69 1.55 -0.26 0.00 0.02 0.00 0.00 55.97 57.97 1ti6 s LYS 267 Cb -0.18 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.14 1ti6 s LYS 267 CO 0.23 -1.61 1.22 0.44 -0.92 0.00 0.00 175.35 174.71 1ti6 n ILE 268 N -2.71 2.37 -1.82 2.17 -5.35 -1.26 -2.53 119.36 110.24 1ti6 n ILE 268 Ca 0.12 -0.50 -0.16 0.00 -0.27 0.00 0.00 62.75 61.93 1ti6 n ILE 268 Cb 0.51 -1.46 -0.04 0.00 -1.74 0.00 0.00 39.64 36.90 1ti6 n ILE 268 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ti6 n GLY 269 N 0.89 0.83 0.00 3.28 0.00 -1.26 -4.62 105.19 104.31 1ti6 n GLY 269 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ti6 n GLY 269 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 270 N -3.15 0.78 -0.33 2.61 -2.24 -1.05 -4.32 114.28 106.58 1ti6 n THR 270 Ca -0.18 -0.82 0.01 0.00 -2.27 0.00 0.00 64.05 60.79 1ti6 n THR 270 Cb 0.58 0.63 0.15 0.00 -2.10 0.00 0.00 70.33 69.59 1ti6 n THR 270 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ti6 h ASP 271 N 0.00 0.90 0.39 3.42 5.19 -1.90 -1.39 116.42 123.03 1ti6 h ASP 271 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ti6 h ASP 271 Cb 0.51 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.85 1ti6 h ASP 271 CO 0.00 0.57 0.00 0.00 -3.12 0.00 0.00 179.24 176.69 1ti6 n HIS 272 N -4.58 0.58 -0.09 4.55 1.44 -1.26 -0.93 115.22 114.92 1ti6 n HIS 272 Ca 0.13 0.26 -0.14 0.00 -2.01 0.00 0.00 57.72 55.97 1ti6 n HIS 272 Cb 0.18 -0.92 -0.04 0.00 0.12 0.00 0.00 29.99 29.34 1ti6 n HIS 272 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ti6 h ALA 273 N 2.19 0.45 -0.43 1.59 0.00 -1.61 -1.77 119.26 119.67 1ti6 h ALA 273 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1ti6 h ALA 273 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ti6 h ALA 273 CO 0.00 0.54 0.05 -0.07 0.00 0.00 0.00 179.25 179.77 1ti6 h LEU 274 N 0.54 0.70 -1.00 0.00 3.38 -1.08 -1.76 115.31 116.09 1ti6 h LEU 274 Ca 0.04 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1ti6 h LEU 274 Cb 0.96 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ti6 h LEU 274 CO 0.09 0.80 0.09 0.77 0.09 0.00 0.00 178.44 180.28 1ti6 h SER 275 N 0.58 0.77 -0.34 -0.43 4.64 -1.41 -0.54 113.55 116.82 1ti6 h SER 275 Ca 0.13 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1ti6 h SER 275 Cb 0.41 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1ti6 h SER 275 CO 0.01 0.78 -0.26 -0.26 -0.87 0.00 0.00 176.83 176.23 1ti6 h PHE 276 N 0.78 0.97 -0.26 4.77 -1.00 -1.15 -1.65 116.94 119.40 1ti6 h PHE 276 Ca 0.17 -0.24 -0.11 0.00 2.81 0.00 0.00 57.97 60.60 1ti6 h PHE 276 Cb 0.34 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1ti6 h PHE 276 CO 0.02 1.01 -0.29 0.00 -1.61 0.00 0.00 178.31 177.44 1ti6 h ALA 277 N 0.98 1.02 -0.32 2.45 0.00 -0.92 0.13 119.26 122.60 1ti6 h ALA 277 Ca 0.09 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1ti6 h ALA 277 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ti6 h ALA 277 CO 0.07 0.59 -0.15 0.82 0.00 0.00 0.00 179.25 180.57 1ti6 h ILE 278 N 0.45 1.29 -0.66 0.00 2.04 -0.94 -1.05 117.51 118.63 1ti6 h ILE 278 Ca 0.06 -1.26 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 1ti6 h ILE 278 Cb 0.74 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1ti6 h ILE 278 CO 0.06 0.41 0.11 0.00 0.00 0.00 0.00 178.15 178.72 1ti6 h ALA 279 N 0.77 0.94 -0.62 1.87 0.00 -1.11 -1.62 119.26 119.48 1ti6 h ALA 279 Ca 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ti6 h ALA 279 Cb 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ti6 h ALA 279 CO 0.05 0.66 0.38 -0.92 0.00 0.00 0.00 179.25 179.42 1ti6 h TYR 280 N 1.02 0.71 -0.28 0.00 3.20 -0.56 0.43 116.97 121.50 1ti6 h TYR 280 Ca 0.20 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1ti6 h TYR 280 Cb 0.43 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1ti6 h TYR 280 CO 0.03 0.40 0.18 1.15 -1.64 0.00 0.00 178.16 178.28 1ti6 h THR 281 N 0.75 1.08 -0.68 1.81 2.02 -0.72 -0.60 112.91 116.57 1ti6 h THR 281 Ca 0.25 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 1ti6 h THR 281 Cb 0.03 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ti6 h THR 281 CO -0.11 0.08 0.20 -0.50 0.37 0.00 0.00 175.52 175.56 1ti6 h TRP 282 N 0.37 1.08 -0.48 3.16 6.55 -0.77 -1.08 115.95 124.77 1ti6 h TRP 282 Ca 0.10 -0.10 -0.10 0.00 0.95 0.00 0.00 58.89 59.73 1ti6 h TRP 282 Cb -0.02 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 27.95 1ti6 h TRP 282 CO -0.05 0.86 -0.11 -0.07 -1.05 0.00 0.00 178.44 178.02 1ti6 h LEU 283 N 1.00 0.92 -0.88 -4.49 3.38 -0.66 0.22 115.31 114.80 1ti6 h LEU 283 Ca 0.22 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1ti6 h LEU 283 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ti6 h LEU 283 CO -0.01 1.07 -0.27 0.11 0.09 0.00 0.00 178.44 179.43 1ti6 h LYS 284 N 0.77 0.52 -0.32 1.13 1.79 -0.86 -3.17 116.57 116.42 1ti6 h LYS 284 Ca 0.12 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1ti6 h LYS 284 Cb 0.66 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1ti6 h LYS 284 CO 0.05 0.74 0.00 0.39 -1.08 0.00 0.00 179.45 179.55 1ti6 n GLU 285 N -4.11 2.30 -2.71 3.15 1.02 -0.43 -4.97 120.64 114.89 1ti6 n GLU 285 Ca -0.00 -2.11 -0.19 0.00 -0.02 0.00 0.00 57.16 54.84 1ti6 n GLU 285 Cb 0.42 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1ti6 n GLU 285 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ti6 n ASP 286 N 1.27 -5.04 -3.88 1.62 9.92 0.62 -4.90 116.55 116.16 1ti6 n ASP 286 Ca 0.17 -0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.93 1ti6 n ASP 286 Cb 0.55 -4.18 0.01 0.00 -0.64 0.00 0.00 41.12 36.86 1ti6 n ASP 286 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1ti6 n SER 287 N -2.12 6.73 -3.53 -2.24 3.41 -0.34 -4.95 113.62 110.58 1ti6 n SER 287 Ca -0.15 -3.51 -0.09 0.00 -0.26 0.00 0.00 58.87 54.86 1ti6 n SER 287 Cb 0.63 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1ti6 n SER 287 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1ti6 s TYR 288 N -3.32 0.19 -1.13 7.33 1.13 -1.26 -4.76 117.35 115.53 1ti6 s TYR 288 Ca 0.34 -0.66 -0.19 0.00 -1.41 0.00 0.00 57.07 55.14 1ti6 s TYR 288 Cb 0.10 0.53 0.09 0.00 -1.10 0.00 0.00 41.96 41.58 1ti6 s TYR 288 CO 0.03 -1.27 1.49 0.34 -2.51 0.00 0.00 175.55 173.63 1ti6 s ASP 289 N -3.03 6.73 0.22 -0.18 -1.08 0.11 -4.85 116.67 114.60 1ti6 s ASP 289 Ca 0.17 -2.15 -0.09 0.00 -0.52 0.00 0.00 52.55 49.97 1ti6 s ASP 289 Cb -0.04 -2.52 0.20 0.00 -1.46 0.00 0.00 42.92 39.11 1ti6 s ASP 289 CO 0.10 -1.19 1.88 0.11 0.52 0.00 0.00 175.17 176.59 1ti6 h LYS 290 N 8.44 1.02 0.06 4.34 1.57 -1.95 -1.57 116.57 128.48 1ti6 h LYS 290 Ca 0.30 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1ti6 h LYS 290 Cb 0.94 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ti6 h LYS 290 CO 1.36 0.67 -0.03 0.93 -0.57 0.00 0.00 179.45 181.81 1ti6 h GLU 291 N 1.05 -0.08 -0.37 3.15 3.07 -1.98 0.07 114.58 119.49 1ti6 h GLU 291 Ca 0.31 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.22 1ti6 h GLU 291 Cb -0.06 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.82 1ti6 h GLU 291 CO -0.09 -0.06 0.10 -0.92 -1.40 0.00 0.00 179.01 176.65 1ti6 h TYR 292 N -0.09 0.17 -0.75 4.33 3.20 -1.91 -2.10 116.97 119.82 1ti6 h TYR 292 Ca -0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1ti6 h TYR 292 Cb 0.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1ti6 h TYR 292 CO -0.07 0.05 0.28 0.28 -1.64 0.00 0.00 178.16 177.06 1ti6 h VAL 293 N 0.23 1.26 -0.20 1.81 2.07 -1.07 0.23 116.25 120.58 1ti6 h VAL 293 Ca 0.17 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1ti6 h VAL 293 Cb 0.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ti6 h VAL 293 CO -0.20 0.34 0.01 0.00 0.02 0.00 0.00 177.57 177.73 1ti6 h ALA 294 N 1.14 1.64 0.05 1.67 0.00 -0.52 -1.66 119.26 121.59 1ti6 h ALA 294 Ca 0.25 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 1ti6 h ALA 294 Cb 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1ti6 h ALA 294 CO -0.02 0.27 -1.95 0.00 0.00 0.00 0.00 179.25 177.56 1ti6 n ALA 295 N -2.49 1.24 -0.29 0.00 0.00 -0.83 -4.56 120.51 113.57 1ti6 n ALA 295 Ca -0.00 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.74 1ti6 n ALA 295 Cb 0.18 -0.67 0.19 0.00 0.00 0.00 0.00 19.45 19.15 1ti6 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ti6 n ASN 296 N -3.21 3.17 -4.31 0.00 3.02 0.76 -4.99 115.26 109.70 1ti6 n ASN 296 Ca -0.27 -2.11 -0.26 0.00 -0.03 0.00 0.00 54.58 51.91 1ti6 n ASN 296 Cb 1.06 -0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 39.80 1ti6 n ASN 296 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ALA 297 N -1.21 1.97 -0.07 5.41 0.00 -0.63 -0.89 121.76 126.35 1ti6 s ALA 297 Ca 0.28 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ti6 s ALA 297 Cb 0.16 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1ti6 s ALA 297 CO 0.17 0.43 -0.20 -1.58 0.00 0.00 0.00 175.76 174.58 1ti6 s HIS 298 N -1.01 2.08 -0.48 0.00 2.46 0.57 -4.69 115.29 114.23 1ti6 s HIS 298 Ca 0.09 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.90 1ti6 s HIS 298 Cb -0.10 -1.41 0.00 0.00 -0.13 0.00 0.00 32.58 30.95 1ti6 s HIS 298 CO 0.04 -0.27 0.00 0.41 -2.47 0.00 0.00 174.74 172.45 1ti6 n GLY 299 N 3.32 0.71 0.32 1.59 0.00 -1.26 -1.19 105.19 108.68 1ti6 n GLY 299 Ca -0.19 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 1ti6 n GLY 299 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ti6 h PHE 300 N 0.00 1.17 -0.24 1.61 3.57 -1.91 -2.22 116.94 118.92 1ti6 h PHE 300 Ca -0.09 -0.16 0.04 0.00 3.53 0.00 0.00 57.97 61.29 1ti6 h PHE 300 Cb 0.40 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1ti6 h PHE 300 CO 0.20 0.98 0.00 0.93 -2.23 0.00 0.00 178.31 178.19 1ti6 h GLU 301 N 1.03 0.08 -0.55 1.11 3.07 -1.96 0.34 114.58 117.69 1ti6 h GLU 301 Ca 0.20 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 1ti6 h GLU 301 Cb 0.44 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1ti6 h GLU 301 CO 0.01 0.05 0.17 0.93 -1.40 0.00 0.00 179.01 178.78 1ti6 h GLU 302 N 0.08 0.86 -0.56 2.33 3.07 -1.96 -2.23 114.58 116.16 1ti6 h GLU 302 Ca 0.11 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1ti6 h GLU 302 Cb 0.14 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1ti6 h GLU 302 CO -0.18 0.78 0.31 2.35 -1.40 0.00 0.00 179.01 180.87 1ti6 h TRP 303 N 0.77 0.77 -0.99 4.33 7.01 -0.86 -1.97 115.95 125.00 1ti6 h TRP 303 Ca 0.18 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1ti6 h TRP 303 Cb 0.28 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 1ti6 h TRP 303 CO 0.02 0.56 0.65 0.00 -2.79 0.00 0.00 178.44 176.88 1ti6 h ALA 304 N 1.14 1.38 -0.22 2.65 0.00 -0.07 -0.38 119.26 123.76 1ti6 h ALA 304 Ca 0.20 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ti6 h ALA 304 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ti6 h ALA 304 CO -0.03 0.51 -0.20 -0.44 0.00 0.00 0.00 179.25 179.09 1ti6 h ASP 305 N 1.22 0.37 -0.14 0.00 3.32 -0.88 -1.63 116.42 118.69 1ti6 h ASP 305 Ca 0.41 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1ti6 h ASP 305 Cb 0.06 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ti6 h ASP 305 CO -0.14 0.59 -0.01 0.22 -1.72 0.00 0.00 179.24 178.18 1ti6 h TYR 306 N 0.35 0.27 -0.91 4.55 3.20 -0.40 -0.72 116.97 123.32 1ti6 h TYR 306 Ca 0.06 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1ti6 h TYR 306 Cb 0.55 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1ti6 h TYR 306 CO 0.01 0.50 0.60 0.28 -1.64 0.00 0.00 178.16 177.91 1ti6 h VAL 307 N -0.03 1.20 0.00 1.81 2.07 -0.99 -1.52 116.25 118.80 1ti6 h VAL 307 Ca 0.04 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1ti6 h VAL 307 Cb 0.39 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1ti6 h VAL 307 CO 0.01 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.00 1ti6 n LEU 308 N -4.41 0.00 0.00 2.57 4.77 -0.63 -1.78 117.00 117.51 1ti6 n LEU 308 Ca 0.11 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1ti6 n LEU 308 Cb 0.05 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1ti6 n LEU 308 CO 0.36 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1ti6 n GLY 309 N 0.64 0.75 0.24 -0.72 0.00 -0.57 -4.28 105.19 101.24 1ti6 n GLY 309 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1ti6 n GLY 309 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ti6 h LYS 310 N 3.13 0.00 0.01 1.61 1.57 -1.34 -1.13 116.57 120.41 1ti6 h LYS 310 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1ti6 h LYS 310 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1ti6 h LYS 310 CO 0.00 0.20 -2.39 0.25 -0.57 0.00 0.00 179.45 176.94 1ti6 n THR 311 N -3.65 1.48 0.52 -0.16 -2.24 -1.25 -4.57 114.28 104.41 1ti6 n THR 311 Ca -0.01 -0.69 0.07 0.00 -2.27 0.00 0.00 64.05 61.15 1ti6 n THR 311 Cb 0.33 -1.08 0.07 0.00 -2.10 0.00 0.00 70.33 67.54 1ti6 n THR 311 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ti6 n ASP 312 N -3.08 2.24 -0.35 3.42 3.85 -1.25 -4.97 116.55 116.41 1ti6 n ASP 312 Ca -0.39 -1.61 -0.05 0.00 -0.71 0.00 0.00 54.79 52.03 1ti6 n ASP 312 Cb 1.06 -0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 40.78 1ti6 n ASP 312 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ti6 n GLY 313 N 0.78 0.71 2.74 6.12 0.00 -0.43 -4.99 105.19 110.12 1ti6 n GLY 313 Ca 0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1ti6 n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 314 N -2.04 1.28 0.29 2.61 2.01 -1.22 -5.02 115.64 113.54 1ti6 s THR 314 Ca 0.00 -2.15 -0.30 0.00 0.31 0.00 0.00 61.69 59.55 1ti6 s THR 314 Cb 0.00 -1.92 -0.11 0.00 0.01 0.00 0.00 72.50 70.48 1ti6 s THR 314 CO 0.00 -0.80 1.59 -2.84 -0.69 0.00 0.00 174.62 171.88 1ti6 s PRO 315 N 0.82 4.12 -1.39 4.92 0.02 -1.26 -4.14 135.00 138.08 1ti6 s PRO 315 Ca 0.15 2.58 -0.09 0.00 0.02 0.00 0.00 61.00 63.65 1ti6 s PRO 315 Cb -0.22 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.36 1ti6 s PRO 315 CO -0.08 -0.63 2.29 1.63 -0.33 0.00 0.00 177.00 179.88 1ti6 n LYS 316 N 2.20 3.75 -1.71 5.54 4.76 -0.74 -4.85 118.16 127.11 1ti6 n LYS 316 Ca 0.08 -3.07 -0.30 0.00 -2.87 0.00 0.00 58.31 52.15 1ti6 n LYS 316 Cb 0.37 -2.89 0.08 0.00 -1.84 0.00 0.00 35.03 30.75 1ti6 n LYS 316 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ti6 s THR 317 N 0.86 2.91 0.38 -0.18 -4.23 -1.26 -3.64 115.64 110.49 1ti6 s THR 317 Ca 0.51 0.30 0.15 0.00 -1.18 0.00 0.00 61.69 61.47 1ti6 s THR 317 Cb 0.15 -3.16 0.14 0.00 1.34 0.00 0.00 72.50 70.97 1ti6 s THR 317 CO -0.05 -0.39 1.89 0.00 -0.54 0.00 0.00 174.62 175.53 1ti6 h GLU 319 N 0.00 0.89 -0.64 0.00 3.07 -1.93 0.08 114.58 116.05 1ti6 h GLU 319 Ca -0.00 -0.45 -0.07 0.00 -0.50 0.00 0.00 59.36 58.34 1ti6 h GLU 319 Cb 0.55 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 1ti6 h GLU 319 CO 0.04 1.10 0.15 2.35 -1.40 0.00 0.00 179.01 181.25 1ti6 h TRP 320 N 0.70 1.09 -0.39 4.33 7.01 -1.73 -2.01 115.95 124.94 1ti6 h TRP 320 Ca 0.06 -0.13 -0.06 0.00 2.11 0.00 0.00 58.89 60.87 1ti6 h TRP 320 Cb 0.92 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1ti6 h TRP 320 CO 0.06 0.91 -0.01 0.00 -2.79 0.00 0.00 178.44 176.61 1ti6 h ALA 321 N 1.05 1.26 -0.35 2.65 0.00 -0.68 -2.33 119.26 120.86 1ti6 h ALA 321 Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ti6 h ALA 321 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ti6 h ALA 321 CO 0.00 0.50 -0.29 1.49 0.00 0.00 0.00 179.25 180.95 1ti6 h GLU 322 N 0.59 0.74 -0.29 0.00 4.81 -0.69 0.91 114.58 120.65 1ti6 h GLU 322 Ca 0.12 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1ti6 h GLU 322 Cb 0.39 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ti6 h GLU 322 CO 0.01 0.93 -0.04 1.49 -0.73 0.00 0.00 179.01 180.67 1ti6 h GLU 323 N 0.63 0.46 0.01 1.92 4.81 -0.94 0.15 114.58 121.62 1ti6 h GLU 323 Ca 0.08 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ti6 h GLU 323 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ti6 h GLU 323 CO 0.07 0.52 -0.00 0.93 -0.73 0.00 0.00 179.01 179.80 1ti6 h GLU 324 N 0.44 -0.01 0.00 1.92 4.39 -1.12 -3.41 114.58 116.79 1ti6 h GLU 324 Ca 0.09 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1ti6 h GLU 324 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1ti6 h GLU 324 CO 0.02 0.84 -1.42 -1.13 -1.16 0.00 0.00 179.01 176.15 1ti6 n SER 325 N -4.65 0.55 0.00 1.42 3.41 0.29 -4.78 113.62 109.86 1ti6 n SER 325 Ca -0.09 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1ti6 n SER 325 Cb 0.41 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1ti6 n SER 325 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ti6 n GLY 326 N 1.25 1.63 3.69 5.00 0.00 0.52 -1.36 105.19 115.92 1ti6 n GLY 326 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1ti6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 327 N -2.72 4.92 0.12 1.61 1.01 -1.26 -4.99 120.40 119.09 1ti6 s VAL 327 Ca 0.00 1.72 -0.35 0.00 0.00 0.00 0.00 61.98 63.35 1ti6 s VAL 327 Cb 0.00 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.05 1ti6 s VAL 327 CO 0.00 0.12 1.29 -2.65 0.00 0.00 0.00 175.10 173.86 1ti6 n PRO 328 N 4.47 1.20 -0.32 2.72 -0.02 -1.26 -4.01 135.00 137.78 1ti6 n PRO 328 Ca 0.04 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ti6 n PRO 328 Cb 0.50 -2.03 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 1ti6 n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 h ALA 329 N 4.22 1.20 -0.81 3.55 0.00 -1.93 -2.31 119.26 123.19 1ti6 h ALA 329 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ti6 h ALA 329 Cb 1.33 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1ti6 h ALA 329 CO 0.76 0.34 0.51 0.00 0.00 0.00 0.00 179.25 180.86 1ti6 h GLU 331 N 1.10 0.39 -0.29 0.00 5.08 -1.81 -1.19 114.58 117.86 1ti6 h GLU 331 Ca 0.29 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ti6 h GLU 331 Cb -0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ti6 h GLU 331 CO -0.06 0.93 0.08 0.82 -1.00 0.00 0.00 179.01 179.78 1ti6 h ILE 332 N 0.27 1.21 -0.60 3.13 2.04 -1.02 -1.62 117.51 120.92 1ti6 h ILE 332 Ca -0.02 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 1ti6 h ILE 332 Cb 1.24 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1ti6 h ILE 332 CO 0.12 0.22 0.07 -0.09 0.00 0.00 0.00 178.15 178.46 1ti6 h ARG 333 N 0.31 1.00 -0.59 2.37 2.43 -1.25 -1.43 114.38 117.21 1ti6 h ARG 333 Ca 0.09 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1ti6 h ARG 333 Cb 0.26 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1ti6 h ARG 333 CO -0.00 0.94 0.26 0.00 -1.51 0.00 0.00 179.97 179.65 1ti6 h ALA 334 N 1.13 0.76 -0.21 2.80 0.00 -1.05 -1.32 119.26 121.37 1ti6 h ALA 334 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ti6 h ALA 334 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ti6 h ALA 334 CO 0.02 0.35 0.08 1.25 0.00 0.00 0.00 179.25 180.95 1ti6 h LEU 335 N 0.80 0.29 -0.32 0.00 5.85 -1.05 -1.50 115.31 119.38 1ti6 h LEU 335 Ca 0.20 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1ti6 h LEU 335 Cb 0.17 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ti6 h LEU 335 CO -0.02 0.38 -0.03 0.00 -0.34 0.00 0.00 178.44 178.43 1ti6 h ALA 336 N 0.92 0.26 -0.76 1.25 0.00 -1.02 0.24 119.26 120.16 1ti6 h ALA 336 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ti6 h ALA 336 Cb 0.18 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ti6 h ALA 336 CO -0.01 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 179.21 1ti6 h ARG 337 N 0.06 1.07 -0.42 0.00 3.08 -1.11 -1.71 114.38 115.36 1ti6 h ARG 337 Ca 0.16 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1ti6 h ARG 337 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ti6 h ARG 337 CO -0.29 0.81 -0.20 0.37 -1.07 0.00 0.00 179.97 179.60 1ti6 h GLN 338 N 1.06 0.87 -0.33 0.04 5.75 -0.72 -2.68 115.11 119.10 1ti6 h GLN 338 Ca 0.26 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1ti6 h GLN 338 Cb 0.07 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1ti6 h GLN 338 CO -0.04 1.02 0.11 2.35 -2.65 0.00 0.00 178.83 179.62 1ti6 h TRP 339 N 0.69 0.19 -0.74 3.99 2.91 -0.31 -0.99 115.95 121.70 1ti6 h TRP 339 Ca 0.09 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 1ti6 h TRP 339 Cb 0.76 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 1ti6 h TRP 339 CO 0.06 0.08 0.30 0.00 -1.03 0.00 0.00 178.44 177.85 1ti6 h ALA 340 N 1.22 0.96 0.00 2.65 0.00 -1.23 -3.21 119.26 119.64 1ti6 h ALA 340 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ti6 h ALA 340 Cb 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ti6 h ALA 340 CO -0.16 0.58 -0.54 0.36 0.00 0.00 0.00 179.25 179.49 1ti6 n LYS 341 N -4.34 0.28 -4.14 0.00 2.85 -1.02 -4.90 118.16 106.89 1ti6 n LYS 341 Ca 0.06 0.10 -0.25 0.00 -1.05 0.00 0.00 58.31 57.17 1ti6 n LYS 341 Cb 0.18 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.80 1ti6 n LYS 341 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1ti6 s LYS 342 N -3.15 2.73 -0.52 -1.58 -0.14 -0.40 -5.03 119.74 111.65 1ti6 s LYS 342 Ca 0.07 -1.01 -0.27 0.00 -1.36 0.00 0.00 55.97 53.40 1ti6 s LYS 342 Cb 0.13 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.75 1ti6 s LYS 342 CO 0.70 0.45 1.75 -0.80 -0.76 0.00 0.00 175.35 176.69 1ti6 s ASN 343 N -3.27 5.62 -0.11 2.83 0.01 -1.26 -4.84 114.94 113.92 1ti6 s ASN 343 Ca 0.30 0.59 0.01 0.00 -0.71 0.00 0.00 52.86 53.06 1ti6 s ASN 343 Cb -0.09 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1ti6 s ASN 343 CO 0.22 -2.05 -0.16 -0.89 -1.51 0.00 0.00 177.10 172.71 1ti6 s THR 344 N 7.85 2.79 -0.12 1.60 2.01 -1.09 -1.39 115.64 127.28 1ti6 s THR 344 Ca 0.68 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 1ti6 s THR 344 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1ti6 s THR 344 CO 0.25 0.54 0.09 -0.31 -0.69 0.00 0.00 174.62 174.50 1ti6 s TYR 345 N 0.25 3.42 -0.41 4.92 1.51 -0.67 -3.90 117.35 122.47 1ti6 s TYR 345 Ca -0.11 0.36 -0.16 0.00 -1.01 0.00 0.00 57.07 56.15 1ti6 s TYR 345 Cb -0.16 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1ti6 s TYR 345 CO 0.06 0.55 0.38 -1.17 -1.11 0.00 0.00 175.55 174.27 1ti6 s LEU 346 N -0.70 4.88 -1.18 -1.29 2.96 -0.16 -1.55 118.68 121.64 1ti6 s LEU 346 Ca 0.12 -0.69 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 1ti6 s LEU 346 Cb -0.12 -2.31 0.22 0.00 0.50 0.00 0.00 46.19 44.48 1ti6 s LEU 346 CO 0.03 -0.51 1.38 0.00 -1.32 0.00 0.00 176.35 175.93 1ti6 n ALA 347 N 5.43 4.26 -2.64 5.97 0.00 0.44 -1.03 120.51 132.95 1ti6 n ALA 347 Ca -0.09 -4.44 -0.41 0.00 0.00 0.00 0.00 53.44 48.50 1ti6 n ALA 347 Cb 0.48 -2.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 1ti6 n ALA 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 s ALA 348 N 0.15 3.62 0.08 0.00 0.00 -1.26 -1.07 121.76 123.27 1ti6 s ALA 348 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1ti6 s ALA 348 Cb -0.03 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ti6 s ALA 348 CO -0.02 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1ti6 n GLY 349 N 3.85 -2.39 0.11 0.00 0.00 -0.75 -0.28 105.19 105.73 1ti6 n GLY 349 Ca 0.03 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.76 1ti6 n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 350 N -0.19 0.00 0.05 -0.02 0.00 -1.71 -3.35 103.07 97.85 1ti6 h GLY 350 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.01 1ti6 h GLY 350 CO 0.01 0.00 -2.28 -0.10 0.00 0.00 0.00 176.54 174.17 1ti6 n LEU 351 N -2.35 0.05 0.00 3.11 7.94 -1.26 -3.89 117.00 120.59 1ti6 n LEU 351 Ca 0.05 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1ti6 n LEU 351 Cb 0.45 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.79 1ti6 n LEU 351 CO 0.32 0.40 0.00 0.61 -1.11 0.00 0.00 177.39 177.62 1ti6 n GLY 352 N 1.65 0.77 0.00 -3.96 0.00 -1.24 -4.55 105.19 97.86 1ti6 n GLY 352 Ca -0.27 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1ti6 n GLY 352 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 353 N 0.00 -0.89 7.00 -0.02 0.00 0.62 -4.15 105.19 107.74 1ti6 n GLY 353 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1ti6 n GLY 353 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ti6 n TRP 354 N -0.55 -0.32 0.00 1.61 7.02 -1.26 -3.69 117.44 120.25 1ti6 n TRP 354 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1ti6 n TRP 354 Cb 0.00 0.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 1ti6 n TRP 354 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ti6 n GLY 355 N 0.00 2.48 0.43 6.99 0.00 -1.26 -3.90 105.19 109.92 1ti6 n GLY 355 Ca 0.00 -1.40 0.24 0.00 0.00 0.00 0.00 46.02 44.86 1ti6 n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 356 N 0.00 0.50 1.93 -0.02 0.00 -1.94 -0.18 103.07 103.36 1ti6 h GLY 356 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.24 1ti6 h GLY 356 CO 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 176.54 176.55 1ti6 h ALA 357 N 1.58 1.65 0.00 3.60 0.00 -1.88 -2.35 119.26 121.85 1ti6 h ALA 357 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ti6 h ALA 357 Cb 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ti6 h ALA 357 CO -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1ti6 n ARG 359 N -3.02 3.12 -4.02 0.00 1.85 -0.89 0.12 116.66 113.81 1ti6 n ARG 359 Ca 0.03 -4.62 -0.10 0.00 -1.00 0.00 0.00 57.85 52.16 1ti6 n ARG 359 Cb 0.44 -2.35 -0.06 0.00 -1.05 0.00 0.00 32.46 29.45 1ti6 n ARG 359 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ti6 s ALA 360 N -2.48 -0.03 0.57 2.89 0.00 -1.25 -1.36 121.76 120.11 1ti6 s ALA 360 Ca 0.36 -1.01 0.39 0.00 0.00 0.00 0.00 51.96 51.70 1ti6 s ALA 360 Cb 0.10 1.11 2.13 0.00 0.00 0.00 0.00 23.12 26.46 1ti6 s ALA 360 CO 0.01 -0.82 2.29 0.66 0.00 0.00 0.00 175.76 177.90 1ti6 h SER 361 N 2.28 0.00 -0.49 0.00 4.64 -1.85 -1.01 113.55 117.13 1ti6 h SER 361 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ti6 h SER 361 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ti6 h SER 361 CO 0.38 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1ti6 n HIS 362 N -3.28 0.80 -0.33 4.77 1.44 -1.26 -4.55 115.22 112.81 1ti6 n HIS 362 Ca -0.03 -0.55 0.10 0.00 -2.01 0.00 0.00 57.72 55.24 1ti6 n HIS 362 Cb 0.11 -0.08 0.28 0.00 0.12 0.00 0.00 29.99 30.42 1ti6 n HIS 362 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1ti6 h GLY 363 N 2.93 1.62 0.89 -1.39 0.00 -1.24 -0.61 103.07 105.27 1ti6 h GLY 363 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ti6 h GLY 363 CO 0.06 -0.04 0.03 -2.22 0.00 0.00 0.00 176.54 174.36 1ti6 h ILE 364 N 0.72 1.11 0.00 2.60 2.04 -1.80 -2.03 117.51 120.15 1ti6 h ILE 364 Ca 0.53 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.98 1ti6 h ILE 364 Cb 0.77 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1ti6 h ILE 364 CO -0.37 0.09 -0.46 -0.33 0.00 0.00 0.00 178.15 177.08 1ti6 h GLU 365 N -0.03 0.00 -0.08 2.37 4.39 -1.79 -2.13 114.58 117.30 1ti6 h GLU 365 Ca 0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1ti6 h GLU 365 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ti6 h GLU 365 CO -0.00 0.46 0.01 2.35 -1.16 0.00 0.00 179.01 180.67 1ti6 h TRP 366 N 0.00 0.15 -0.41 4.33 7.01 -0.95 0.47 115.95 126.55 1ti6 h TRP 366 Ca -0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1ti6 h TRP 366 Cb 0.91 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 1ti6 h TRP 366 CO 0.00 0.36 0.27 0.00 -2.79 0.00 0.00 178.44 176.28 1ti6 h ALA 367 N 0.76 0.52 -0.20 2.65 0.00 -1.29 -0.10 119.26 121.60 1ti6 h ALA 367 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 367 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ti6 h ALA 367 CO 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 179.25 179.07 1ti6 h ARG 368 N 0.55 0.33 -0.43 0.00 3.08 -1.34 -1.70 114.38 114.88 1ti6 h ARG 368 Ca 0.15 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1ti6 h ARG 368 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1ti6 h ARG 368 CO -0.03 0.49 -0.24 0.78 -1.07 0.00 0.00 179.97 179.89 1ti6 h GLY 369 N 0.86 0.97 1.15 0.04 0.00 -0.25 0.51 103.07 106.35 1ti6 h GLY 369 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 47.33 46.47 1ti6 h GLY 369 CO 0.03 0.78 0.18 -0.33 0.00 0.00 0.00 176.54 177.20 1ti6 h MET 370 N 0.77 1.06 -0.41 4.80 2.86 -0.53 -1.37 114.93 122.10 1ti6 h MET 370 Ca 0.10 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1ti6 h MET 370 Cb 0.80 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1ti6 h MET 370 CO 0.07 0.93 -0.09 0.82 1.06 0.00 0.00 176.91 179.69 1ti6 h ILE 371 N 1.01 1.27 -0.15 -1.22 2.04 -1.08 -1.89 117.51 117.50 1ti6 h ILE 371 Ca 0.22 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1ti6 h ILE 371 Cb 0.33 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1ti6 h ILE 371 CO -0.00 0.40 -0.03 0.00 0.00 0.00 0.00 178.15 178.52 1ti6 h ALA 372 N 0.85 0.10 -0.14 1.87 0.00 -0.53 0.22 119.26 121.63 1ti6 h ALA 372 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ti6 h ALA 372 Cb 0.61 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ti6 h ALA 372 CO 0.04 -0.48 0.07 -0.07 0.00 0.00 0.00 179.25 178.82 1ti6 h LEU 373 N 0.01 0.17 -1.12 0.00 4.07 -1.21 -0.56 115.31 116.67 1ti6 h LEU 373 Ca 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1ti6 h LEU 373 Cb 0.11 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1ti6 h LEU 373 CO -0.15 0.22 0.12 0.00 -1.08 0.00 0.00 178.44 177.55 1ti6 h ALA 374 N 0.96 1.29 -0.28 1.53 0.00 -1.20 -2.78 119.26 118.78 1ti6 h ALA 374 Ca 0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ti6 h ALA 374 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ti6 h ALA 374 CO -0.01 0.50 -0.11 1.15 0.00 0.00 0.00 179.25 180.78 1ti6 h THR 375 N 0.73 1.29 0.00 0.00 2.02 -0.69 -2.06 112.91 114.21 1ti6 h THR 375 Ca 0.16 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1ti6 h THR 375 Cb 0.26 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1ti6 h THR 375 CO -0.00 0.37 -0.05 0.24 0.37 0.00 0.00 175.52 176.45 1ti6 h MET 376 N 0.32 0.00 -0.38 6.66 2.07 -0.88 -1.45 114.93 121.27 1ti6 h MET 376 Ca 0.07 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1ti6 h MET 376 Cb 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1ti6 h MET 376 CO 0.04 0.05 0.00 1.04 1.07 0.00 0.00 176.91 179.11 1ti6 n GLN 377 N -4.04 2.15 -2.40 1.72 1.13 -1.07 -0.71 117.38 114.16 1ti6 n GLN 377 Ca -0.03 -1.75 -0.06 0.00 -1.94 0.00 0.00 57.00 53.22 1ti6 n GLN 377 Cb 0.14 -1.43 0.03 0.00 0.11 0.00 0.00 30.24 29.09 1ti6 n GLN 377 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ti6 n GLY 378 N 1.32 0.15 3.68 1.08 0.00 -0.55 -4.78 105.19 106.09 1ti6 n GLY 378 Ca 0.18 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1ti6 n GLY 378 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ti6 n MET 379 N -2.13 2.03 0.00 1.61 0.00 -0.79 -2.80 117.12 115.05 1ti6 n MET 379 Ca -0.08 0.72 0.00 0.00 0.00 0.00 0.00 57.70 58.34 1ti6 n MET 379 Cb 0.56 -2.32 0.00 0.00 0.00 0.00 0.00 33.22 31.45 1ti6 n MET 379 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ti6 n GLY 380 N 1.49 1.58 3.87 3.17 0.00 0.01 -4.47 105.19 110.83 1ti6 n GLY 380 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ti6 n GLY 380 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s LYS 381 N -0.06 3.73 0.14 1.61 -2.85 -1.12 -3.87 119.74 117.32 1ti6 s LYS 381 Ca 0.00 0.66 -0.35 0.00 -1.00 0.00 0.00 55.97 55.28 1ti6 s LYS 381 Cb 0.00 -2.21 -0.15 0.00 -2.06 0.00 0.00 37.83 33.41 1ti6 s LYS 381 CO 0.00 -0.31 1.51 -2.30 0.10 0.00 0.00 175.35 174.35 1ti6 n PRO 382 N -2.02 1.87 -0.73 1.78 -0.02 -1.26 -1.64 135.00 132.98 1ti6 n PRO 382 Ca 0.04 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1ti6 n PRO 382 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ti6 n PRO 382 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 383 N 3.16 0.88 2.95 -1.23 0.00 -1.26 -5.01 105.19 104.67 1ti6 n GLY 383 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1ti6 n GLY 383 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ti6 s SER 384 N -3.00 0.55 0.05 1.61 0.15 -0.65 -2.67 113.70 109.74 1ti6 s SER 384 Ca 0.00 0.42 -0.27 0.00 0.70 0.00 0.00 55.95 56.80 1ti6 s SER 384 Cb 0.00 0.64 0.09 0.00 -1.71 0.00 0.00 66.02 65.05 1ti6 s SER 384 CO 0.00 -0.26 1.20 0.21 1.20 0.00 0.00 173.24 175.59 1ti6 s ASN 385 N 2.40 -0.02 -0.33 5.45 3.84 -1.25 -0.81 114.94 124.22 1ti6 s ASN 385 Ca 0.03 -0.33 -0.13 0.00 0.21 0.00 0.00 52.86 52.64 1ti6 s ASN 385 Cb -0.13 0.27 -0.02 0.00 -0.55 0.00 0.00 41.25 40.82 1ti6 s ASN 385 CO -0.09 -0.53 0.27 -0.32 -2.79 0.00 0.00 177.10 173.64 1ti6 s MET 386 N -2.25 3.63 -0.18 0.43 -2.45 -1.26 -0.98 119.30 116.24 1ti6 s MET 386 Ca 0.22 -0.49 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 1ti6 s MET 386 Cb 0.00 -3.77 0.07 0.00 1.25 0.00 0.00 34.83 32.38 1ti6 s MET 386 CO 0.00 -0.40 0.41 -0.46 1.05 0.00 0.00 175.02 175.62 1ti6 s TRP 387 N 1.82 -0.67 -2.11 4.11 -0.00 -0.20 -4.89 118.94 117.01 1ti6 s TRP 387 Ca 0.08 1.37 0.21 0.00 -0.00 0.00 0.00 56.10 57.76 1ti6 s TRP 387 Cb -0.17 0.27 0.56 0.00 -0.00 0.00 0.00 33.47 34.14 1ti6 s TRP 387 CO 0.11 -0.39 1.48 0.43 -0.00 0.00 0.00 176.95 178.57 1ti6 n SER 388 N 4.69 3.46 0.00 5.86 7.64 -1.26 -3.10 113.62 130.91 1ti6 n SER 388 Ca -0.18 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1ti6 n SER 388 Cb 0.53 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ti6 n SER 388 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ti6 n THR 389 N 1.41 0.00 -0.06 0.44 -2.24 -1.26 -4.83 114.28 107.74 1ti6 n THR 389 Ca 0.21 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1ti6 n THR 389 Cb 0.56 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 1ti6 n THR 389 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ti6 n THR 390 N -2.09 1.46 -3.61 4.28 -2.24 -1.26 -4.87 114.28 105.95 1ti6 n THR 390 Ca 0.00 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 1ti6 n THR 390 Cb 0.05 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1ti6 n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti6 n GLN 391 N -2.87 1.19 -0.40 -0.78 6.02 -1.26 -4.10 117.38 115.18 1ti6 n GLN 391 Ca -0.25 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 1ti6 n GLN 391 Cb 1.10 0.12 0.00 0.00 1.02 0.00 0.00 30.24 32.48 1ti6 n GLN 391 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 392 N 2.65 0.74 3.76 1.08 0.00 -1.22 -4.37 105.19 107.82 1ti6 n GLY 392 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ti6 n GLY 392 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ti6 s VAL 393 N -2.46 2.53 -0.25 1.61 1.01 -1.18 -1.92 120.40 119.74 1ti6 s VAL 393 Ca 0.00 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1ti6 s VAL 393 Cb 0.00 -3.31 -0.19 0.00 0.00 0.00 0.00 36.38 32.88 1ti6 s VAL 393 CO 0.00 0.09 2.99 -0.81 0.00 0.00 0.00 175.10 177.37 1ti6 n PRO 394 N 1.63 1.91 -1.76 2.72 -0.04 -1.26 -4.60 135.00 133.59 1ti6 n PRO 394 Ca 0.04 -1.02 -0.29 0.00 -0.04 0.00 0.00 63.50 62.19 1ti6 n PRO 394 Cb 0.40 -2.05 0.13 0.00 -0.04 0.00 0.00 33.50 31.95 1ti6 n PRO 394 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ti6 s LEU 395 N 0.03 2.32 -0.90 1.53 1.43 -1.26 -4.78 118.68 117.04 1ti6 s LEU 395 Ca 0.56 0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 1ti6 s LEU 395 Cb 0.24 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.51 1ti6 s LEU 395 CO -0.01 -2.41 1.46 -0.62 0.23 0.00 0.00 176.35 175.00 1ti6 s ASP 396 N -4.47 6.21 0.51 2.29 3.68 -1.26 -4.81 116.67 118.82 1ti6 s ASP 396 Ca 0.66 -0.98 0.34 0.00 2.13 0.00 0.00 52.55 54.70 1ti6 s ASP 396 Cb -0.10 -2.56 1.65 0.00 -1.45 0.00 0.00 42.92 40.45 1ti6 s ASP 396 CO 0.52 -1.77 2.03 1.88 0.13 0.00 0.00 175.17 177.96 1ti6 h TYR 397 N 10.27 0.00 0.00 -5.34 0.99 -1.96 -2.72 116.97 118.22 1ti6 h TYR 397 Ca 0.02 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 1ti6 h TYR 397 Cb 1.03 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.74 1ti6 h TYR 397 CO 1.22 0.00 -0.64 0.93 -0.00 0.00 0.00 178.16 179.66 1ti6 h GLU 398 N 0.00 0.00 -6.57 4.88 5.08 -2.01 -3.44 114.58 112.52 1ti6 h GLU 398 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1ti6 h GLU 398 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ti6 h GLU 398 CO 0.00 0.64 0.54 0.12 -1.00 0.00 0.00 179.01 179.32 1ti6 s PHE 399 N -3.38 3.47 -0.21 4.33 5.36 -1.03 -5.02 117.98 121.50 1ti6 s PHE 399 Ca -0.00 1.39 -0.06 0.00 -0.96 0.00 0.00 56.93 57.30 1ti6 s PHE 399 Cb 0.11 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.37 1ti6 s PHE 399 CO 0.76 -1.13 0.03 -0.47 -1.46 0.00 0.00 175.22 172.95 1ti6 s TYR 400 N 0.50 3.07 -0.12 10.12 5.04 -1.26 -5.04 117.35 129.67 1ti6 s TYR 400 Ca 0.55 -0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.73 1ti6 s TYR 400 Cb -0.30 -2.13 0.06 0.00 0.35 0.00 0.00 41.96 39.94 1ti6 s TYR 400 CO 0.32 -0.24 0.25 0.12 -1.34 0.00 0.00 175.55 174.66 1ti6 s PHE 401 N 1.12 -0.37 0.54 4.97 5.36 -1.26 -1.53 117.98 126.81 1ti6 s PHE 401 Ca 0.03 0.88 -0.21 0.00 -0.96 0.00 0.00 56.93 56.68 1ti6 s PHE 401 Cb -0.14 -0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1ti6 s PHE 401 CO 0.02 -0.31 1.23 -2.14 -1.46 0.00 0.00 175.22 172.57 1ti6 s PRO 402 N 2.00 3.26 0.47 10.12 0.02 -1.26 -5.06 135.00 144.56 1ti6 s PRO 402 Ca -0.02 1.91 0.04 0.00 0.02 0.00 0.00 61.00 62.95 1ti6 s PRO 402 Cb -0.11 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.26 1ti6 s PRO 402 CO -0.08 -1.00 0.66 0.20 -0.33 0.00 0.00 177.00 176.45 1ti6 s GLY 403 N -1.36 1.79 0.53 0.52 0.00 -1.26 -4.78 107.32 102.77 1ti6 s GLY 403 Ca 0.72 -1.39 0.20 0.00 0.00 0.00 0.00 44.72 44.24 1ti6 s GLY 403 CO 0.37 -1.18 2.17 0.10 0.00 0.00 0.00 173.10 174.56 1ti6 h TYR 404 N 0.38 0.00 0.00 1.90 -0.00 -1.46 -2.26 116.97 115.54 1ti6 h TYR 404 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1ti6 h TYR 404 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 1ti6 h TYR 404 CO 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.57 1ti6 n ALA 405 N -2.48 1.62 0.54 0.10 0.00 -0.70 -3.05 120.51 116.55 1ti6 n ALA 405 Ca -0.03 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.39 1ti6 n ALA 405 Cb 0.10 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.50 1ti6 n ALA 405 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ti6 n GLU 406 N -1.39 2.20 0.00 0.00 1.02 -0.85 -0.56 120.64 121.05 1ti6 n GLU 406 Ca 0.04 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 1ti6 n GLU 406 Cb 0.11 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1ti6 n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 407 N 0.41 2.70 7.00 0.62 0.00 -1.17 -3.13 105.19 111.62 1ti6 n GLY 407 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ti6 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 408 N -2.00 3.06 0.59 -0.02 0.00 -1.26 -0.92 105.19 104.63 1ti6 n GLY 408 Ca 0.00 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.40 1ti6 n GLY 408 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ti6 n ILE 409 N 0.00 0.17 0.03 -0.61 -5.35 -1.26 -4.18 119.36 108.16 1ti6 n ILE 409 Ca 0.00 -0.35 -0.15 0.00 -0.27 0.00 0.00 62.75 61.98 1ti6 n ILE 409 Cb 0.00 0.47 -0.14 0.00 -1.74 0.00 0.00 39.64 38.23 1ti6 n ILE 409 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1ti6 h SER 410 N 2.45 0.27 -0.33 7.28 4.64 -1.10 -3.43 113.55 123.33 1ti6 h SER 410 Ca 0.00 -0.45 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 1ti6 h SER 410 Cb 0.53 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 1ti6 h SER 410 CO 0.00 1.39 -0.13 0.61 -0.87 0.00 0.00 176.83 177.83 1ti6 n GLY 411 N 1.69 0.73 3.56 -0.77 0.00 -1.24 0.01 105.19 109.17 1ti6 n GLY 411 Ca -0.19 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1ti6 n GLY 411 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 412 N -2.32 5.20 0.00 1.61 -1.08 -1.26 -4.71 116.67 114.11 1ti6 s ASP 412 Ca 0.00 0.82 0.30 0.00 -0.52 0.00 0.00 52.55 53.15 1ti6 s ASP 412 Cb 0.00 -2.52 1.59 0.00 -1.46 0.00 0.00 42.92 40.53 1ti6 s ASP 412 CO 0.00 -2.34 2.07 0.00 0.52 0.00 0.00 175.17 175.42 1ti6 n GLU 414 N -1.21 0.88 -0.11 0.00 2.13 -1.26 -4.52 120.64 116.55 1ti6 n GLU 414 Ca 0.16 -0.09 0.03 0.00 0.66 0.00 0.00 57.16 57.93 1ti6 n GLU 414 Cb 0.20 -1.31 0.09 0.00 0.27 0.00 0.00 31.44 30.69 1ti6 n GLU 414 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ti6 n ASN 415 N -2.10 2.55 -3.66 4.31 3.02 -1.24 -5.00 115.26 113.15 1ti6 n ASN 415 Ca -0.07 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.37 1ti6 n ASN 415 Cb 0.50 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.48 1ti6 n ASN 415 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ti6 s SER 416 N -0.99 0.37 -0.28 6.41 1.04 -1.07 -5.02 113.70 114.17 1ti6 s SER 416 Ca 0.14 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.41 1ti6 s SER 416 Cb 0.07 0.60 0.58 0.00 0.10 0.00 0.00 66.02 67.38 1ti6 s SER 416 CO 0.10 -1.19 1.62 0.00 0.98 0.00 0.00 173.24 174.74 1ti6 n ALA 417 N -0.45 4.35 0.03 5.32 0.00 0.27 -4.47 120.51 125.57 1ti6 n ALA 417 Ca -0.00 -1.94 0.03 0.00 0.00 0.00 0.00 53.44 51.53 1ti6 n ALA 417 Cb 0.62 -1.24 0.40 0.00 0.00 0.00 0.00 19.45 19.23 1ti6 n ALA 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ti6 h ALA 418 N 2.25 1.62 0.00 0.00 0.00 -1.74 -2.75 119.26 118.64 1ti6 h ALA 418 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ti6 h ALA 418 Cb 2.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1ti6 h ALA 418 CO 0.66 0.30 -0.03 0.78 0.00 0.00 0.00 179.25 180.96 1ti6 h GLY 419 N 0.61 0.00 0.69 0.00 0.00 -1.79 -0.30 103.07 102.28 1ti6 h GLY 419 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ti6 h GLY 419 CO -0.01 0.00 -0.00 -2.75 0.00 0.00 0.00 176.54 173.78 1ti6 h PHE 420 N 0.00 -0.00 0.00 5.60 3.57 -1.85 -3.46 116.94 120.79 1ti6 h PHE 420 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ti6 h PHE 420 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ti6 h PHE 420 CO 0.00 0.30 0.00 1.17 -2.23 0.00 0.00 178.31 177.55 1ti6 n LYS 421 N -4.94 0.00 -0.17 1.11 4.81 -1.17 -5.00 118.16 112.79 1ti6 n LYS 421 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.31 1ti6 n LYS 421 Cb 0.17 -0.08 0.05 0.00 0.02 0.00 0.00 35.03 35.18 1ti6 n LYS 421 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1ti6 h PHE 422 N 0.00 0.54 -0.73 5.64 3.57 -1.81 -2.65 116.94 121.50 1ti6 h PHE 422 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1ti6 h PHE 422 Cb 0.00 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.48 1ti6 h PHE 422 CO 0.00 0.29 0.28 0.00 -2.23 0.00 0.00 178.31 176.65 1ti6 h ALA 423 N 1.25 1.00 0.00 2.41 0.00 -1.31 0.36 119.26 122.98 1ti6 h ALA 423 Ca 0.22 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ti6 h ALA 423 Cb 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ti6 h ALA 423 CO -0.13 -0.21 -0.05 -1.49 0.00 0.00 0.00 179.25 177.37 1ti6 h TRP 424 N 0.43 0.00 0.06 0.00 -0.00 -1.68 -1.29 115.95 113.47 1ti6 h TRP 424 Ca 0.39 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.92 1ti6 h TRP 424 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.70 1ti6 h TRP 424 CO -0.17 0.05 -2.16 0.54 -0.00 0.00 0.00 178.44 176.70 1ti6 n ARG 425 N -3.63 0.70 0.03 0.49 1.74 0.26 -4.52 116.66 111.74 1ti6 n ARG 425 Ca -0.02 0.21 -0.11 0.00 -0.77 0.00 0.00 57.85 57.15 1ti6 n ARG 425 Cb 0.16 -1.64 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 1ti6 n ARG 425 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1ti6 h MET 426 N 0.03 0.50 -6.30 5.56 4.05 -0.18 -3.45 114.93 115.15 1ti6 h MET 426 Ca -0.47 -0.40 -0.68 0.00 -0.28 0.00 0.00 59.70 57.87 1ti6 h MET 426 Cb 2.00 0.08 -0.18 0.00 -0.80 0.00 0.00 31.60 32.70 1ti6 h MET 426 CO 0.02 1.02 -0.71 -0.06 0.23 0.00 0.00 176.91 177.42 1ti6 s PHE 427 N -3.68 2.86 -0.77 1.39 0.40 -0.51 -4.96 117.98 112.71 1ti6 s PHE 427 Ca -0.07 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1ti6 s PHE 427 Cb 0.10 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 42.11 1ti6 s PHE 427 CO 0.85 0.36 0.81 -0.40 0.70 0.00 0.00 175.22 177.53 1ti6 n ASP 428 N 1.63 1.77 -1.76 1.36 5.68 -1.25 -4.73 116.55 119.25 1ti6 n ASP 428 Ca -0.16 -1.43 -0.21 0.00 -0.50 0.00 0.00 54.79 52.49 1ti6 n ASP 428 Cb 0.53 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 1ti6 n ASP 428 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 429 N 0.31 1.40 1.65 6.12 0.00 -1.25 -4.75 105.19 108.67 1ti6 n GLY 429 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ti6 n GLY 429 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 430 N -2.54 0.00 -0.02 1.61 5.02 -1.26 -4.99 118.16 115.99 1ti6 n LYS 430 Ca -0.21 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.07 1ti6 n LYS 430 Cb 0.68 -0.18 -0.04 0.00 -0.02 0.00 0.00 35.03 35.47 1ti6 n LYS 430 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ti6 n THR 431 N -3.07 0.21 -4.63 -0.18 -2.24 -1.26 -5.02 114.28 98.09 1ti6 n THR 431 Ca 0.00 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.36 1ti6 n THR 431 Cb 0.10 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 1ti6 n THR 431 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ti6 s THR 432 N -2.21 1.16 0.09 4.28 -1.32 -1.26 -5.09 115.64 111.29 1ti6 s THR 432 Ca -0.02 -0.54 0.07 0.00 -1.21 0.00 0.00 61.69 59.98 1ti6 s THR 432 Cb 0.02 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1ti6 s THR 432 CO 0.21 0.35 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.43 1ti6 s PHE 433 N 0.27 1.49 0.85 9.09 0.40 -1.26 -3.77 117.98 125.05 1ti6 s PHE 433 Ca -0.07 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 1ti6 s PHE 433 Cb -0.12 -0.83 0.10 0.00 0.51 0.00 0.00 43.02 42.68 1ti6 s PHE 433 CO 0.02 0.13 1.10 -2.14 0.70 0.00 0.00 175.22 175.03 1ti6 s PRO 434 N -1.82 1.64 -0.51 0.24 0.02 -1.26 -5.00 135.00 128.31 1ti6 s PRO 434 Ca 0.02 0.73 0.04 0.00 0.02 0.00 0.00 61.00 61.81 1ti6 s PRO 434 Cb -0.10 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.69 1ti6 s PRO 434 CO 0.03 -1.95 0.25 0.45 -0.33 0.00 0.00 177.00 175.46 1ti6 s SER 435 N -3.66 4.34 0.62 2.53 0.15 0.10 -5.00 113.70 112.78 1ti6 s SER 435 Ca 0.62 -2.98 -0.11 0.00 0.70 0.00 0.00 55.95 54.18 1ti6 s SER 435 Cb -0.16 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1ti6 s SER 435 CO 0.56 -0.24 1.03 -2.84 1.20 0.00 0.00 173.24 172.95 1ti6 s PRO 436 N -0.25 3.57 -0.10 5.44 0.02 -1.26 -4.44 135.00 137.98 1ti6 s PRO 436 Ca 0.17 0.74 0.03 0.00 0.02 0.00 0.00 61.00 61.95 1ti6 s PRO 436 Cb -0.26 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.20 1ti6 s PRO 436 CO -0.00 -0.59 -0.18 0.45 -0.33 0.00 0.00 177.00 176.35 1ti6 s SER 437 N -4.19 2.58 0.00 2.53 0.15 -1.26 -4.68 113.70 108.83 1ti6 s SER 437 Ca 0.55 -0.46 0.22 0.00 0.70 0.00 0.00 55.95 56.96 1ti6 s SER 437 Cb -0.11 -1.17 0.55 0.00 -1.71 0.00 0.00 66.02 63.58 1ti6 s SER 437 CO 0.54 0.07 1.46 -0.46 1.20 0.00 0.00 173.24 176.04 1ti6 n ASN 438 N 3.92 2.66 -0.06 5.45 6.94 -1.26 -4.26 115.26 128.64 1ti6 n ASN 438 Ca -0.20 -1.87 -0.08 0.00 -0.02 0.00 0.00 54.58 52.41 1ti6 n ASN 438 Cb 0.52 -0.17 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 1ti6 n ASN 438 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ti6 n LEU 439 N 0.98 2.48 -3.77 -4.53 4.77 -1.26 -4.65 117.00 111.02 1ti6 n LEU 439 Ca 0.18 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1ti6 n LEU 439 Cb 0.49 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ti6 n LEU 439 CO 0.15 0.63 2.33 -3.20 -1.33 0.00 0.00 177.39 175.97 1ti6 n ASN 440 N -2.78 4.84 -3.77 -1.43 5.15 -1.26 -1.64 115.26 114.37 1ti6 n ASN 440 Ca -0.21 -2.98 -0.10 0.00 -0.60 0.00 0.00 54.58 50.69 1ti6 n ASN 440 Cb 0.75 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 38.40 1ti6 n ASN 440 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1ti6 s THR 441 N 1.52 0.07 0.28 -0.44 -1.32 -1.26 -4.86 115.64 109.63 1ti6 s THR 441 Ca 0.44 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1ti6 s THR 441 Cb 0.12 -1.46 0.27 0.00 -1.51 0.00 0.00 72.50 69.92 1ti6 s THR 441 CO -0.04 -0.30 1.79 0.28 -2.21 0.00 0.00 174.62 174.14 1ti6 h SER 442 N 2.41 0.74 0.06 8.08 0.02 -1.97 0.66 113.55 123.55 1ti6 h SER 442 Ca -0.32 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ti6 h SER 442 Cb 1.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ti6 h SER 442 CO 0.46 0.33 -0.01 0.00 -1.14 0.00 0.00 176.83 176.47 1ti6 n ALA 443 N -2.37 2.66 -1.95 3.77 0.00 -1.26 -4.76 120.51 116.60 1ti6 n ALA 443 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ti6 n ALA 443 Cb 0.45 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1ti6 n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 444 N 1.08 0.80 2.89 0.00 0.00 0.22 -5.03 105.19 105.15 1ti6 n GLY 444 Ca 0.22 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1ti6 n GLY 444 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ti6 s GLN 445 N 3.98 0.05 0.20 1.61 0.74 -0.65 -4.84 119.66 120.75 1ti6 s GLN 445 Ca 0.00 0.16 -0.15 0.00 0.05 0.00 0.00 55.36 55.42 1ti6 s GLN 445 Cb 0.00 -0.07 0.01 0.00 1.10 0.00 0.00 33.01 34.05 1ti6 s GLN 445 CO 0.00 -0.07 0.46 -3.38 -0.55 0.00 0.00 175.29 171.75 1ti6 s HIS 446 N 0.46 0.10 0.07 1.67 -3.43 -1.26 -4.08 115.29 108.82 1ti6 s HIS 446 Ca -0.04 -0.46 0.02 0.00 -0.80 0.00 0.00 55.06 53.79 1ti6 s HIS 446 Cb -0.05 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 1ti6 s HIS 446 CO -0.02 -0.90 -0.08 0.96 -2.00 0.00 0.00 174.74 172.71 1ti6 s ILE 447 N -3.93 0.66 0.18 -5.38 -4.36 -0.71 -4.88 121.20 102.78 1ti6 s ILE 447 Ca 0.14 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 58.73 1ti6 s ILE 447 Cb -0.00 -1.15 -0.08 0.00 1.25 0.00 0.00 42.46 42.48 1ti6 s ILE 447 CO 0.01 -0.60 1.22 -2.84 0.24 0.00 0.00 174.94 172.97 1ti6 s PRO 448 N -2.65 4.46 0.34 0.37 0.02 -1.26 -1.88 135.00 134.41 1ti6 s PRO 448 Ca 0.01 1.90 0.06 0.00 0.02 0.00 0.00 61.00 62.99 1ti6 s PRO 448 Cb -0.03 -3.24 0.72 0.00 0.02 0.00 0.00 34.50 31.97 1ti6 s PRO 448 CO -0.02 -0.14 1.91 -0.09 -0.33 0.00 0.00 177.00 178.33 1ti6 h ARG 449 N 5.43 0.78 0.00 5.54 2.43 -1.52 -0.74 114.38 126.30 1ti6 h ARG 449 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1ti6 h ARG 449 Cb 1.21 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ti6 h ARG 449 CO 0.76 0.51 0.00 -0.07 -1.51 0.00 0.00 179.97 179.66 1ti6 h LEU 450 N 0.80 0.00 -2.88 3.80 3.38 -1.91 -3.18 115.31 115.32 1ti6 h LEU 450 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1ti6 h LEU 450 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1ti6 h LEU 450 CO -0.16 0.00 -0.32 0.29 0.09 0.00 0.00 178.44 178.35 1ti6 n LYS 451 N -2.45 1.12 -0.25 1.13 4.76 -0.31 -4.77 118.16 117.39 1ti6 n LYS 451 Ca 0.01 -2.58 -0.02 0.00 -2.87 0.00 0.00 58.31 52.84 1ti6 n LYS 451 Cb 0.21 -1.29 0.09 0.00 -1.84 0.00 0.00 35.03 32.20 1ti6 n LYS 451 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1ti6 h ILE 452 N 1.77 1.05 -0.47 -0.18 2.04 -1.48 -1.75 117.51 118.50 1ti6 h ILE 452 Ca -0.02 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.61 1ti6 h ILE 452 Cb 1.13 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1ti6 h ILE 452 CO 0.01 0.15 0.18 -0.65 0.00 0.00 0.00 178.15 177.84 1ti6 h PRO 453 N 0.83 0.35 -0.65 2.37 0.11 -1.87 -0.70 132.00 132.43 1ti6 h PRO 453 Ca 0.30 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1ti6 h PRO 453 Cb 0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1ti6 h PRO 453 CO -0.14 0.23 0.21 0.93 -0.21 0.00 0.00 178.00 179.02 1ti6 h GLU 454 N 0.36 1.01 -0.56 1.05 3.07 -1.84 0.36 114.58 118.03 1ti6 h GLU 454 Ca 0.22 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1ti6 h GLU 454 Cb 0.21 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1ti6 h GLU 454 CO -0.21 0.88 0.22 0.00 -1.40 0.00 0.00 179.01 178.49 1ti6 h ILE 456 N 0.77 1.32 0.05 0.00 2.04 -0.94 0.47 117.51 121.21 1ti6 h ILE 456 Ca 0.19 -1.22 -0.23 0.00 1.00 0.00 0.00 64.86 64.60 1ti6 h ILE 456 Cb 0.21 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1ti6 h ILE 456 CO -0.01 0.30 -1.06 0.24 0.00 0.00 0.00 178.15 177.62 1ti6 h MET 457 N -0.59 0.16 0.00 2.37 2.86 -0.95 -3.34 114.93 115.43 1ti6 h MET 457 Ca -0.01 -0.24 -0.21 0.00 -2.06 0.00 0.00 59.70 57.18 1ti6 h MET 457 Cb 0.54 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1ti6 h MET 457 CO 0.01 1.07 -1.74 0.41 1.06 0.00 0.00 176.91 177.73 1ti6 n GLY 458 N 1.30 -1.10 2.18 8.32 0.00 0.19 -4.98 105.19 111.09 1ti6 n GLY 458 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 1ti6 n GLY 458 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 459 N 1.48 0.44 3.56 -0.02 0.00 0.15 -4.98 105.19 105.83 1ti6 n GLY 459 Ca -0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 1ti6 n GLY 459 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 460 N -0.65 0.77 -0.02 1.61 2.20 -1.25 -4.42 119.74 117.98 1ti6 s LYS 460 Ca 0.00 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.56 1ti6 s LYS 460 Cb 0.00 0.36 0.10 0.00 -1.51 0.00 0.00 37.83 36.79 1ti6 s LYS 460 CO 0.00 -0.23 0.89 0.12 -0.36 0.00 0.00 175.35 175.77 1ti6 s PHE 461 N -1.02 -0.36 -0.06 4.03 5.36 -0.58 -4.56 117.98 120.78 1ti6 s PHE 461 Ca -0.05 0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 56.16 1ti6 s PHE 461 Cb -0.01 0.53 0.03 0.00 -0.34 0.00 0.00 43.02 43.23 1ti6 s PHE 461 CO 0.04 -0.53 0.15 -1.14 -1.46 0.00 0.00 175.22 172.28 1ti6 s GLN 462 N -2.88 0.14 0.32 10.12 -0.44 -1.26 -0.41 119.66 125.24 1ti6 s GLN 462 Ca 0.04 0.30 -0.07 0.00 -2.50 0.00 0.00 55.36 53.13 1ti6 s GLN 462 Cb -0.01 -0.04 0.03 0.00 -1.64 0.00 0.00 33.01 31.35 1ti6 s GLN 462 CO -0.08 -0.09 0.53 -2.67 0.50 0.00 0.00 175.29 173.49 1ti6 n TRP 463 N 3.59 -1.71 -4.70 1.67 2.14 -0.26 -5.00 117.44 113.17 1ti6 n TRP 463 Ca -0.19 -1.80 -0.33 0.00 2.07 0.00 0.00 57.50 57.25 1ti6 n TRP 463 Cb 0.55 0.62 -0.12 0.00 -0.81 0.00 0.00 31.31 31.55 1ti6 n TRP 463 CO 0.00 0.00 0.00 -1.12 2.07 0.00 0.00 177.69 178.64 1ti6 s SER 464 N -2.80 4.39 0.15 -0.67 0.01 -1.26 -0.65 113.70 112.88 1ti6 s SER 464 Ca 0.19 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1ti6 s SER 464 Cb -0.02 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1ti6 s SER 464 CO 0.14 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1ti6 n GLY 465 N 2.61 -2.96 3.09 3.44 0.00 0.98 -4.68 105.19 107.67 1ti6 n GLY 465 Ca -0.18 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1ti6 n GLY 465 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ti6 s LYS 466 N -3.82 2.26 3.12 1.61 2.20 -1.26 -4.89 119.74 118.96 1ti6 s LYS 466 Ca 0.00 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 1ti6 s LYS 466 Cb 0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1ti6 s LYS 466 CO 0.00 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1ti6 n GLY 467 N 4.47 2.97 3.56 5.54 0.00 -1.26 -3.78 105.19 116.69 1ti6 n GLY 467 Ca -0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1ti6 n GLY 467 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti6 s PHE 468 N 0.00 2.74 -1.15 1.61 0.40 -1.23 -4.43 117.98 115.92 1ti6 s PHE 468 Ca 0.00 0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.58 1ti6 s PHE 468 Cb 0.00 -4.27 0.25 0.00 0.51 0.00 0.00 43.02 39.51 1ti6 s PHE 468 CO 0.00 -1.39 1.72 0.00 0.70 0.00 0.00 175.22 176.25 1ti6 n ALA 469 N 7.85 5.50 1.27 5.36 0.00 -1.25 -4.76 120.51 134.47 1ti6 n ALA 469 Ca 0.06 -4.58 0.12 0.00 0.00 0.00 0.00 53.44 49.05 1ti6 n ALA 469 Cb 0.48 -2.55 0.41 0.00 0.00 0.00 0.00 19.45 17.79 1ti6 n ALA 469 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 470 N 1.60 0.31 0.30 0.00 0.00 -1.26 -4.37 105.19 101.77 1ti6 n GLY 470 Ca 0.36 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1ti6 n GLY 470 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ti6 h GLY 471 N 4.89 1.12 -2.80 -0.02 0.00 -1.86 -2.99 103.07 101.43 1ti6 h GLY 471 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1ti6 h GLY 471 CO 0.00 0.66 0.16 -0.35 0.00 0.00 0.00 176.54 177.01 1ti6 s ASP 472 N -6.37 -0.44 0.20 0.19 2.15 -1.26 -4.87 116.67 106.26 1ti6 s ASP 472 Ca -0.12 -0.20 -0.11 0.00 0.43 0.00 0.00 52.55 52.55 1ti6 s ASP 472 Cb 0.14 0.60 0.25 0.00 -0.30 0.00 0.00 42.92 43.61 1ti6 s ASP 472 CO 0.83 -1.03 1.71 0.40 -0.17 0.00 0.00 175.17 176.91 1ti6 h ILE 473 N 2.06 0.67 -0.02 4.11 2.04 -1.89 -2.79 117.51 121.69 1ti6 h ILE 473 Ca -0.31 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1ti6 h ILE 473 Cb 1.29 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ti6 h ILE 473 CO 0.36 0.05 0.00 -1.20 0.00 0.00 0.00 178.15 177.36 1ti6 n SER 474 N -5.12 0.77 0.03 1.72 7.64 -1.26 -4.10 113.62 113.28 1ti6 n SER 474 Ca 0.07 -1.31 0.04 0.00 1.01 0.00 0.00 58.87 58.68 1ti6 n SER 474 Cb 0.29 -0.01 0.43 0.00 -1.01 0.00 0.00 64.21 63.90 1ti6 n SER 474 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1ti6 h HIS 475 N 1.16 0.47 0.00 1.43 3.86 -1.78 -1.51 115.15 118.78 1ti6 h HIS 475 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ti6 h HIS 475 Cb 0.25 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1ti6 h HIS 475 CO 0.01 0.32 0.00 0.00 0.86 0.00 0.00 177.93 179.12 1ti6 n GLN 476 N -4.45 0.02 0.00 2.45 10.64 -1.26 -2.28 117.38 122.50 1ti6 n GLN 476 Ca 0.02 0.28 0.12 0.00 -1.83 0.00 0.00 57.00 55.58 1ti6 n GLN 476 Cb 0.09 -1.50 0.17 0.00 -0.86 0.00 0.00 30.24 28.13 1ti6 n GLN 476 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ti6 n LEU 477 N -1.48 0.63 -4.77 2.61 4.77 -0.57 -2.41 117.00 115.79 1ti6 n LEU 477 Ca 0.03 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 1ti6 n LEU 477 Cb 0.14 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1ti6 n LEU 477 CO 0.11 0.16 1.07 -2.28 -1.33 0.00 0.00 177.39 175.12 1ti6 s HIS 478 N -2.99 2.81 -0.07 -1.77 2.46 -0.96 -4.70 115.29 110.08 1ti6 s HIS 478 Ca 0.11 1.25 -0.16 0.00 0.47 0.00 0.00 55.06 56.72 1ti6 s HIS 478 Cb 0.17 -3.87 -0.05 0.00 -0.13 0.00 0.00 32.58 28.70 1ti6 s HIS 478 CO 0.74 -2.53 0.42 -0.65 -2.47 0.00 0.00 174.74 170.25 1ti6 s GLN 479 N -1.79 4.13 0.17 2.88 -1.52 -1.26 -0.01 119.66 122.26 1ti6 s GLN 479 Ca 0.52 0.38 0.07 0.00 -1.95 0.00 0.00 55.36 54.38 1ti6 s GLN 479 Cb -0.43 -3.33 -0.04 0.00 -0.22 0.00 0.00 33.01 28.98 1ti6 s GLN 479 CO 0.57 0.42 -0.13 0.71 -0.25 0.00 0.00 175.29 176.61 1ti6 s TYR 480 N -0.20 1.54 0.04 0.91 1.51 0.18 -4.95 117.35 116.38 1ti6 s TYR 480 Ca 0.23 -0.62 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1ti6 s TYR 480 Cb -0.16 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1ti6 s TYR 480 CO 0.11 0.24 -0.02 -1.83 -1.11 0.00 0.00 175.55 172.94 1ti6 s GLU 481 N -3.49 0.52 -0.04 -0.62 -1.05 -1.26 -1.10 118.70 111.66 1ti6 s GLU 481 Ca 0.18 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 53.99 1ti6 s GLU 481 Cb -0.01 0.18 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1ti6 s GLU 481 CO 0.04 -0.10 -0.04 -0.47 0.95 0.00 0.00 175.26 175.65 1ti6 s TYR 482 N -3.14 0.68 0.45 4.83 5.04 0.45 -2.82 117.35 122.84 1ti6 s TYR 482 Ca -0.00 -0.18 -0.23 0.00 -2.44 0.00 0.00 57.07 54.22 1ti6 s TYR 482 Cb 0.02 -0.63 -0.08 0.00 0.35 0.00 0.00 41.96 41.62 1ti6 s TYR 482 CO -0.07 -0.19 1.13 -1.25 -1.34 0.00 0.00 175.55 173.83 1ti6 s PRO 483 N 0.97 3.83 0.60 4.97 0.04 -1.26 -1.53 135.00 142.61 1ti6 s PRO 483 Ca -0.10 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 1ti6 s PRO 483 Cb -0.14 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1ti6 s PRO 483 CO -0.00 -0.47 1.19 0.00 0.04 0.00 0.00 177.00 177.75 1ti6 s ALA 484 N -1.60 2.54 -0.31 8.56 0.00 -1.13 -4.85 121.76 124.97 1ti6 s ALA 484 Ca 0.63 0.93 -0.41 0.00 0.00 0.00 0.00 51.96 53.11 1ti6 s ALA 484 Cb -0.26 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.27 1ti6 s ALA 484 CO 0.32 -1.15 1.75 -2.30 0.00 0.00 0.00 175.76 174.39 1ti6 n PRO 485 N -1.68 1.01 0.00 0.00 -0.02 -1.26 -0.91 135.00 132.15 1ti6 n PRO 485 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1ti6 n PRO 485 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1ti6 n PRO 485 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 486 N 4.32 2.96 3.94 -1.23 0.00 -1.26 -5.03 105.19 108.89 1ti6 n GLY 486 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1ti6 n GLY 486 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ti6 s TYR 487 N -1.88 3.00 0.14 1.61 1.51 -0.08 -5.10 117.35 116.54 1ti6 s TYR 487 Ca 0.00 0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 1ti6 s TYR 487 Cb 0.00 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1ti6 s TYR 487 CO 0.00 -0.99 0.29 0.45 -1.11 0.00 0.00 175.55 174.19 1ti6 s SER 488 N -4.41 6.36 0.91 2.29 0.15 -1.26 -4.67 113.70 113.06 1ti6 s SER 488 Ca 0.56 0.26 -0.11 0.00 0.70 0.00 0.00 55.95 57.36 1ti6 s SER 488 Cb -0.10 -1.95 0.13 0.00 -1.71 0.00 0.00 66.02 62.39 1ti6 s SER 488 CO 0.42 0.06 1.09 -0.54 1.20 0.00 0.00 173.24 175.47 1ti6 s LYS 489 N -3.04 1.17 0.20 5.44 1.02 -1.26 -4.37 119.74 118.90 1ti6 s LYS 489 Ca 0.36 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 1ti6 s LYS 489 Cb -0.12 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 1ti6 s LYS 489 CO 0.28 -2.31 1.18 0.42 -0.92 0.00 0.00 175.35 174.00 1ti6 s ILE 490 N -2.90 3.55 0.00 2.17 -1.09 -1.26 -4.36 121.20 117.31 1ti6 s ILE 490 Ca 0.64 1.34 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1ti6 s ILE 490 Cb -0.18 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1ti6 s ILE 490 CO 0.57 0.23 0.00 0.29 -1.23 0.00 0.00 174.94 174.81 1ti6 n LYS 491 N 2.26 2.30 -4.18 2.79 4.76 0.17 -4.74 118.16 121.52 1ti6 n LYS 491 Ca 0.03 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.31 1ti6 n LYS 491 Cb 0.45 -0.95 -0.13 0.00 -1.84 0.00 0.00 35.03 32.56 1ti6 n LYS 491 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1ti6 s MET 492 N -1.85 0.66 -0.16 1.97 1.75 -0.94 -0.76 119.30 119.97 1ti6 s MET 492 Ca 0.00 -0.65 -0.00 0.00 -1.25 0.00 0.00 55.69 53.78 1ti6 s MET 492 Cb 0.00 -0.57 0.04 0.00 2.84 0.00 0.00 34.83 37.14 1ti6 s MET 492 CO 0.00 0.13 -0.07 0.12 -0.65 0.00 0.00 175.02 174.55 1ti6 s PHE 493 N -0.94 1.84 -0.49 4.11 5.99 -0.27 0.18 117.98 128.39 1ti6 s PHE 493 Ca -0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 56.93 55.65 1ti6 s PHE 493 Cb -0.08 -1.38 0.12 0.00 0.00 0.00 0.00 43.02 41.68 1ti6 s PHE 493 CO 0.01 -0.63 0.38 -0.46 -0.00 0.00 0.00 175.22 174.52 1ti6 s TRP 494 N 1.59 3.39 0.08 10.12 -0.11 0.98 -1.01 118.94 133.98 1ti6 s TRP 494 Ca 0.01 -1.74 -0.17 0.00 1.22 0.00 0.00 56.10 55.42 1ti6 s TRP 494 Cb -0.15 -3.57 -0.07 0.00 -1.50 0.00 0.00 33.47 28.18 1ti6 s TRP 494 CO -0.08 -1.00 0.54 0.15 -4.62 0.00 0.00 176.95 171.93 1ti6 s LYS 495 N 1.41 4.09 -0.32 5.86 1.02 0.14 -2.90 119.74 129.05 1ti6 s LYS 495 Ca 0.05 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1ti6 s LYS 495 Cb -0.27 -3.14 0.08 0.00 -0.52 0.00 0.00 37.83 33.97 1ti6 s LYS 495 CO 0.00 0.60 0.01 -0.47 -0.92 0.00 0.00 175.35 174.58 1ti6 s TYR 496 N -1.21 3.47 0.00 3.18 5.04 -1.03 -0.12 117.35 126.68 1ti6 s TYR 496 Ca 0.31 -2.44 0.00 0.00 -2.44 0.00 0.00 57.07 52.49 1ti6 s TYR 496 Cb -0.18 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.65 1ti6 s TYR 496 CO 0.18 -0.90 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 1ti6 n GLY 497 N 4.45 -1.58 2.67 8.97 0.00 -0.64 -3.98 105.19 115.08 1ti6 n GLY 497 Ca -0.06 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1ti6 n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ti6 n GLY 498 N -1.88 0.73 0.88 -0.02 0.00 -1.26 -4.83 105.19 98.81 1ti6 n GLY 498 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1ti6 n GLY 498 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ti6 n PRO 499 N 0.80 2.04 0.18 1.61 -0.04 -1.26 -0.94 135.00 137.39 1ti6 n PRO 499 Ca 0.09 -1.81 0.17 0.00 -0.04 0.00 0.00 63.50 61.91 1ti6 n PRO 499 Cb 0.67 -1.42 0.79 0.00 -0.04 0.00 0.00 33.50 33.50 1ti6 n PRO 499 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ti6 h HIS 500 N 4.30 0.00 0.00 0.54 3.86 -1.96 -0.10 115.15 121.79 1ti6 h HIS 500 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1ti6 h HIS 500 Cb 0.91 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 1ti6 h HIS 500 CO 0.00 0.00 -0.16 -0.07 0.86 0.00 0.00 177.93 178.56 1ti6 h LEU 501 N 0.00 0.00 0.00 2.43 3.38 -1.88 -2.03 115.31 117.21 1ti6 h LEU 501 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ti6 h LEU 501 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ti6 h LEU 501 CO -0.00 0.16 -1.23 0.61 0.09 0.00 0.00 178.44 178.07 1ti6 n GLY 502 N -0.43 -0.67 0.00 0.83 0.00 -0.12 -4.51 105.19 100.29 1ti6 n GLY 502 Ca -0.01 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.59 1ti6 n GLY 502 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti6 n THR 503 N -1.71 0.00 -0.35 2.61 -2.24 -0.75 -2.00 114.28 109.83 1ti6 n THR 503 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1ti6 n THR 503 Cb 0.34 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ti6 n THR 503 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1ti6 n MET 504 N -1.51 3.52 -4.53 -0.78 2.81 -0.78 -4.96 117.12 110.89 1ti6 n MET 504 Ca -0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.61 1ti6 n MET 504 Cb 0.12 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.50 1ti6 n MET 504 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ti6 s THR 505 N 2.27 2.03 -1.17 2.03 -4.23 -1.26 -4.73 115.64 110.57 1ti6 s THR 505 Ca 0.00 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1ti6 s THR 505 Cb 0.00 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.06 1ti6 s THR 505 CO 0.00 0.14 0.09 0.00 -0.54 0.00 0.00 174.62 174.31 1ti6 n ALA 506 N 1.29 -1.87 0.15 3.99 0.00 0.11 -4.74 120.51 119.44 1ti6 n ALA 506 Ca -0.18 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1ti6 n ALA 506 Cb 0.53 -0.84 0.39 0.00 0.00 0.00 0.00 19.45 19.53 1ti6 n ALA 506 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 507 N -3.87 0.80 0.24 0.00 -2.24 -0.93 -2.86 114.28 105.42 1ti6 n THR 507 Ca -0.23 0.72 0.17 0.00 -2.27 0.00 0.00 64.05 62.44 1ti6 n THR 507 Cb 0.53 -1.72 0.88 0.00 -2.10 0.00 0.00 70.33 67.91 1ti6 n THR 507 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ti6 h ASN 508 N 0.00 0.00 0.40 3.42 2.35 -1.85 0.14 115.58 120.04 1ti6 h ASN 508 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1ti6 h ASN 508 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ti6 h ASN 508 CO 0.00 0.00 -0.29 0.08 -1.65 0.00 0.00 177.43 175.57 1ti6 h ARG 509 N 0.00 0.00 0.00 0.81 0.11 -1.84 -1.88 114.38 111.57 1ti6 h ARG 509 Ca 0.06 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.02 1ti6 h ARG 509 Cb 0.37 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 1ti6 h ARG 509 CO -0.00 0.29 -0.56 1.88 0.10 0.00 0.00 179.97 181.68 1ti6 h TYR 510 N 0.00 0.00 -0.10 4.08 -1.99 -1.22 -2.35 116.97 115.39 1ti6 h TYR 510 Ca -0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.54 1ti6 h TYR 510 Cb 0.57 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.31 1ti6 h TYR 510 CO 0.00 0.56 -0.66 0.00 -0.00 0.00 0.00 178.16 178.06 1ti6 h ALA 511 N 1.44 0.21 -0.20 3.88 0.00 -1.39 -3.29 119.26 119.92 1ti6 h ALA 511 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1ti6 h ALA 511 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1ti6 h ALA 511 CO 0.07 0.51 -0.18 0.87 0.00 0.00 0.00 179.25 180.52 1ti6 h LYS 512 N 0.26 0.35 -0.10 0.00 1.57 -1.25 -3.19 116.57 114.21 1ti6 h LYS 512 Ca -0.05 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1ti6 h LYS 512 Cb 1.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1ti6 h LYS 512 CO 0.13 0.52 -0.02 0.00 -0.57 0.00 0.00 179.45 179.52 1ti6 h MET 513 N 0.32 0.14 0.00 3.15 -0.00 -1.49 -3.03 114.93 114.02 1ti6 h MET 513 Ca 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1ti6 h MET 513 Cb 0.51 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1ti6 h MET 513 CO 0.03 0.18 -0.06 1.88 -0.00 0.00 0.00 176.91 178.94 1ti6 h TYR 514 N 0.14 0.00 -0.18 -0.10 -1.99 -1.69 -2.28 116.97 110.87 1ti6 h TYR 514 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1ti6 h TYR 514 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1ti6 h TYR 514 CO 0.00 0.06 0.00 0.25 -0.00 0.00 0.00 178.16 178.47 1ti6 n THR 515 N -3.82 0.22 -2.13 -2.88 -2.24 -1.14 -4.82 114.28 97.46 1ti6 n THR 515 Ca -0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1ti6 n THR 515 Cb 0.16 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1ti6 n THR 515 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ti6 s HIS 516 N -1.78 3.18 -1.57 4.78 5.04 -0.86 -3.96 115.29 120.11 1ti6 s HIS 516 Ca 0.34 1.08 0.12 0.00 -1.54 0.00 0.00 55.06 55.06 1ti6 s HIS 516 Cb 0.19 -3.70 0.61 0.00 0.04 0.00 0.00 32.58 29.73 1ti6 s HIS 516 CO 0.29 -2.28 1.24 -0.40 -2.34 0.00 0.00 174.74 171.24 1ti6 n ASP 517 N 2.87 0.00 0.18 9.88 3.85 -1.26 -2.07 116.55 130.00 1ti6 n ASP 517 Ca 0.08 -0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.22 1ti6 n ASP 517 Cb 0.42 -0.21 0.11 0.00 -1.35 0.00 0.00 41.12 40.09 1ti6 n ASP 517 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1ti6 h SER 518 N 0.00 0.00 -2.38 -1.12 4.64 -1.90 -3.41 113.55 109.39 1ti6 h SER 518 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1ti6 h SER 518 Cb 0.08 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.06 1ti6 h SER 518 CO 0.00 0.28 0.89 -0.76 -0.87 0.00 0.00 176.83 176.37 1ti6 s LEU 519 N -6.37 3.72 0.34 5.97 1.43 -0.88 -4.55 118.68 118.34 1ti6 s LEU 519 Ca 0.05 -0.79 0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1ti6 s LEU 519 Cb 0.07 -2.50 0.48 0.00 0.03 0.00 0.00 46.19 44.27 1ti6 s LEU 519 CO 0.71 -1.63 1.64 -0.33 0.23 0.00 0.00 176.35 176.96 1ti6 h GLU 520 N 9.79 0.00 -2.33 1.70 5.08 -1.18 -3.46 114.58 124.17 1ti6 h GLU 520 Ca -0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1ti6 h GLU 520 Cb 1.05 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.08 1ti6 h GLU 520 CO 1.25 0.44 -0.04 0.12 -1.00 0.00 0.00 179.01 179.78 1ti6 s PHE 521 N -3.40 -0.65 -0.07 4.33 5.36 -1.16 -5.04 117.98 117.35 1ti6 s PHE 521 Ca 0.01 1.56 -0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1ti6 s PHE 521 Cb 0.10 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1ti6 s PHE 521 CO 0.71 -0.31 -0.03 0.08 -1.46 0.00 0.00 175.22 174.20 1ti6 s VAL 522 N 0.36 0.59 -0.01 3.12 1.01 -1.26 -1.11 120.40 123.10 1ti6 s VAL 522 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1ti6 s VAL 522 Cb -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1ti6 s VAL 522 CO 0.00 0.28 -0.23 -0.69 0.00 0.00 0.00 175.10 174.46 1ti6 s VAL 523 N 1.53 2.33 -0.14 2.92 1.01 -0.18 -0.91 120.40 126.96 1ti6 s VAL 523 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1ti6 s VAL 523 Cb -0.13 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1ti6 s VAL 523 CO -0.04 0.53 -0.14 -0.55 0.00 0.00 0.00 175.10 174.90 1ti6 s SER 524 N -0.81 2.62 -0.51 3.32 0.15 -0.13 0.28 113.70 118.62 1ti6 s SER 524 Ca 0.11 -0.47 -0.06 0.00 0.70 0.00 0.00 55.95 56.23 1ti6 s SER 524 Cb -0.10 -1.14 0.13 0.00 -1.71 0.00 0.00 66.02 63.20 1ti6 s SER 524 CO 0.00 -0.06 0.35 -1.58 1.20 0.00 0.00 173.24 173.16 1ti6 s GLN 525 N 1.47 2.43 0.30 5.44 0.74 0.83 -0.65 119.66 130.21 1ti6 s GLN 525 Ca 0.04 -1.98 0.04 0.00 0.05 0.00 0.00 55.36 53.51 1ti6 s GLN 525 Cb -0.13 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.13 1ti6 s GLN 525 CO -0.10 -1.16 0.21 -1.12 -0.55 0.00 0.00 175.29 172.57 1ti6 s SER 526 N 1.99 1.32 -0.25 6.67 0.01 -0.88 -1.63 113.70 120.94 1ti6 s SER 526 Ca 0.09 -1.62 -0.05 0.00 1.31 0.00 0.00 55.95 55.68 1ti6 s SER 526 Cb -0.23 0.47 -0.17 0.00 0.21 0.00 0.00 66.02 66.31 1ti6 s SER 526 CO -0.03 -0.96 -0.17 -0.38 0.41 0.00 0.00 173.24 172.11 1ti6 n ILE 527 N -0.54 1.54 -4.50 1.44 5.41 -1.26 -0.79 119.36 120.65 1ti6 n ILE 527 Ca 0.04 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.99 1ti6 n ILE 527 Cb 0.64 -1.62 -0.12 0.00 -0.71 0.00 0.00 39.64 37.83 1ti6 n ILE 527 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1ti6 s TRP 528 N -2.51 2.62 -0.95 1.39 0.51 -1.26 -1.46 118.94 117.28 1ti6 s TRP 528 Ca -0.34 -0.22 -0.21 0.00 -2.12 0.00 0.00 56.10 53.21 1ti6 s TRP 528 Cb 0.10 -1.45 0.09 0.00 -0.81 0.00 0.00 33.47 31.40 1ti6 s TRP 528 CO 0.59 0.32 1.27 0.12 -0.51 0.00 0.00 176.95 178.74 1ti6 s PHE 529 N -1.02 2.79 0.35 -1.98 5.36 0.14 -4.79 117.98 118.82 1ti6 s PHE 529 Ca 0.17 -1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 54.93 1ti6 s PHE 529 Cb -0.11 -4.49 0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1ti6 s PHE 529 CO 0.08 -1.73 0.77 -1.83 -1.46 0.00 0.00 175.22 171.05 1ti6 s GLU 530 N 3.94 2.09 5.83 10.12 -1.05 -1.26 -4.95 118.70 133.42 1ti6 s GLU 530 Ca 0.38 -1.29 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 1ti6 s GLU 530 Cb -0.03 0.62 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 1ti6 s GLU 530 CO -0.08 -0.97 0.00 0.41 0.95 0.00 0.00 175.26 175.57 1ti6 n GLY 531 N -0.51 3.70 0.05 -3.83 0.00 -1.16 -1.72 105.19 101.73 1ti6 n GLY 531 Ca -0.07 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1ti6 n GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 532 N 14.00 0.16 -0.30 1.61 1.02 -0.12 -4.23 120.64 132.78 1ti6 n GLU 532 Ca 0.00 0.10 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 1ti6 n GLU 532 Cb 0.00 -1.65 0.28 0.00 -0.02 0.00 0.00 31.44 30.04 1ti6 n GLU 532 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ti6 h VAL 533 N 0.00 0.56 0.00 2.62 2.07 -1.54 -1.29 116.25 118.66 1ti6 h VAL 533 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ti6 h VAL 533 Cb 0.64 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1ti6 h VAL 533 CO 0.00 0.09 0.00 -2.65 0.02 0.00 0.00 177.57 175.03 1ti6 n PRO 534 N -4.99 0.50 0.00 1.57 -0.02 -1.26 -2.03 135.00 128.77 1ti6 n PRO 534 Ca 0.20 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1ti6 n PRO 534 Cb 0.58 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.92 1ti6 n PRO 534 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ti6 n PHE 535 N -0.20 0.00 -1.90 6.00 3.01 -0.49 -3.33 117.46 120.56 1ti6 n PHE 535 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1ti6 n PHE 535 Cb 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.54 1ti6 n PHE 535 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ti6 s ALA 536 N -1.94 2.78 -0.07 4.37 0.00 -0.86 -4.46 121.76 121.57 1ti6 s ALA 536 Ca 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1ti6 s ALA 536 Cb 0.10 -3.19 -0.26 0.00 0.00 0.00 0.00 23.12 19.77 1ti6 s ALA 536 CO 0.43 -0.89 0.54 -0.44 0.00 0.00 0.00 175.76 175.41 1ti6 h ASP 537 N 0.01 0.32 -3.48 0.00 3.32 -1.37 -3.40 116.42 111.82 1ti6 h ASP 537 Ca -0.45 -0.65 -0.43 0.00 0.02 0.00 0.00 57.03 55.52 1ti6 h ASP 537 Cb 1.21 -0.10 -0.34 0.00 0.22 0.00 0.00 39.33 40.32 1ti6 h ASP 537 CO 0.58 1.57 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.26 1ti6 s ILE 538 N -2.58 0.65 -0.14 0.35 -1.09 -1.04 -0.42 121.20 116.93 1ti6 s ILE 538 Ca -0.15 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1ti6 s ILE 538 Cb 0.07 -0.64 0.00 0.00 -1.58 0.00 0.00 42.46 40.31 1ti6 s ILE 538 CO 0.80 0.24 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.93 1ti6 s ILE 539 N 0.80 2.27 -0.19 2.92 1.01 0.18 -0.96 121.20 127.23 1ti6 s ILE 539 Ca -0.12 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 1ti6 s ILE 539 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1ti6 s ILE 539 CO 0.01 0.54 -0.08 -0.76 0.00 0.00 0.00 174.94 174.65 1ti6 s LEU 540 N 0.76 2.79 -0.28 2.97 1.43 0.18 -1.11 118.68 125.41 1ti6 s LEU 540 Ca -0.08 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1ti6 s LEU 540 Cb -0.16 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1ti6 s LEU 540 CO -0.00 0.04 1.18 -2.84 0.23 0.00 0.00 176.35 174.96 1ti6 s PRO 541 N 1.08 4.05 0.28 1.29 0.02 -1.26 -2.07 135.00 138.39 1ti6 s PRO 541 Ca 0.00 1.24 0.06 0.00 0.02 0.00 0.00 61.00 62.32 1ti6 s PRO 541 Cb -0.15 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.57 1ti6 s PRO 541 CO -0.01 -0.93 0.35 0.00 -0.33 0.00 0.00 177.00 176.07 1ti6 s ALA 542 N 3.85 3.93 0.38 -1.55 0.00 0.03 -2.07 121.76 126.33 1ti6 s ALA 542 Ca 0.50 -1.37 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1ti6 s ALA 542 Cb -0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 1ti6 s ALA 542 CO 0.17 0.15 0.28 0.00 0.00 0.00 0.00 175.76 176.36 1ti6 s THR 544 N -2.44 2.03 -0.99 0.00 -4.23 -1.26 -4.84 115.64 103.91 1ti6 s THR 544 Ca 0.43 -0.05 0.15 0.00 -1.18 0.00 0.00 61.69 61.05 1ti6 s THR 544 Cb -0.03 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.96 1ti6 s THR 544 CO 0.26 0.00 1.49 -0.46 -0.54 0.00 0.00 174.62 175.37 1ti6 n ASN 545 N -3.47 0.01 -0.20 3.99 6.94 -1.26 -2.00 115.26 119.28 1ti6 n ASN 545 Ca 0.12 0.50 0.14 0.00 -0.02 0.00 0.00 54.58 55.32 1ti6 n ASN 545 Cb 0.60 -0.51 0.65 0.00 -2.36 0.00 0.00 39.78 38.16 1ti6 n ASN 545 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1ti6 n PHE 546 N -1.52 0.00 -0.50 -2.53 3.01 -1.26 -3.54 117.46 111.13 1ti6 n PHE 546 Ca 0.04 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.55 1ti6 n PHE 546 Cb 0.18 -0.09 0.13 0.00 -0.01 0.00 0.00 39.48 39.70 1ti6 n PHE 546 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1ti6 n GLU 547 N -0.63 2.60 -4.00 -1.08 1.02 -0.85 -2.00 120.64 115.71 1ti6 n GLU 547 Ca 0.18 -2.19 -0.09 0.00 -0.02 0.00 0.00 57.16 55.03 1ti6 n GLU 547 Cb 0.27 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.26 1ti6 n GLU 547 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1ti6 s ARG 548 N -1.80 1.56 0.05 3.49 1.70 -1.23 -4.39 118.95 118.32 1ti6 s ARG 548 Ca 0.23 -1.25 -0.13 0.00 -0.47 0.00 0.00 55.73 54.11 1ti6 s ARG 548 Cb 0.17 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.97 1ti6 s ARG 548 CO 0.07 -0.65 0.44 -1.58 -1.08 0.00 0.00 175.30 172.50 1ti6 s TRP 549 N -4.01 3.67 0.21 5.89 0.52 -1.26 -3.62 118.94 120.33 1ti6 s TRP 549 Ca 0.22 0.95 -0.17 0.00 0.02 0.00 0.00 56.10 57.13 1ti6 s TRP 549 Cb -0.01 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 30.10 1ti6 s TRP 549 CO 0.09 0.57 0.81 -3.47 0.02 0.00 0.00 176.95 174.97 1ti6 n ASP 550 N 1.36 -1.61 -3.78 2.95 -0.08 -0.83 -4.79 116.55 109.77 1ti6 n ASP 550 Ca -0.11 -1.94 -0.13 0.00 -1.51 0.00 0.00 54.79 51.11 1ti6 n ASP 550 Cb 0.52 2.64 -0.09 0.00 2.34 0.00 0.00 41.12 46.53 1ti6 n ASP 550 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1ti6 s ILE 551 N -2.17 0.06 0.13 5.18 2.07 -1.26 -0.47 121.20 124.74 1ti6 s ILE 551 Ca 0.18 -0.50 -0.25 0.00 -1.41 0.00 0.00 60.65 58.67 1ti6 s ILE 551 Cb -0.03 -0.57 0.08 0.00 0.13 0.00 0.00 42.46 42.07 1ti6 s ILE 551 CO 0.06 -0.27 1.07 -0.94 -1.91 0.00 0.00 174.94 172.95 1ti6 s SER 552 N -1.27 -0.06 0.00 4.50 1.04 -1.00 -1.64 113.70 115.28 1ti6 s SER 552 Ca -0.13 -0.48 0.07 0.00 0.48 0.00 0.00 55.95 55.88 1ti6 s SER 552 Cb -0.06 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1ti6 s SER 552 CO 0.04 -0.81 -0.21 -0.70 0.98 0.00 0.00 173.24 172.54 1ti6 s GLU 553 N -2.51 1.59 -0.39 4.02 2.12 -1.26 -1.27 118.70 121.00 1ti6 s GLU 553 Ca 0.19 -0.79 -0.40 0.00 0.36 0.00 0.00 54.97 54.32 1ti6 s GLU 553 Cb -0.01 -1.58 -0.15 0.00 0.26 0.00 0.00 34.13 32.64 1ti6 s GLU 553 CO 0.03 0.43 2.03 0.34 -0.54 0.00 0.00 175.26 177.54 1ti6 n PHE 554 N 2.37 1.59 -1.06 5.30 -0.00 0.10 -1.40 117.46 124.35 1ti6 n PHE 554 Ca -0.16 0.55 -0.04 0.00 -0.00 0.00 0.00 57.45 57.81 1ti6 n PHE 554 Cb 0.53 -2.42 -0.02 0.00 -0.00 0.00 0.00 39.48 37.57 1ti6 n PHE 554 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ti6 n ALA 555 N 7.64 -0.06 -2.58 3.13 0.00 -1.26 -4.74 120.51 122.64 1ti6 n ALA 555 Ca 0.41 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 1ti6 n ALA 555 Cb 0.10 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1ti6 n ALA 555 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ti6 s ASN 556 N -2.03 6.43 -0.27 0.00 3.84 -0.49 -4.41 114.94 118.00 1ti6 s ASN 556 Ca 0.00 0.07 -0.14 0.00 0.21 0.00 0.00 52.86 53.00 1ti6 s ASN 556 Cb 0.00 -2.55 -0.13 0.00 -0.55 0.00 0.00 41.25 38.02 1ti6 s ASN 556 CO 0.00 -1.48 -0.32 0.00 -2.79 0.00 0.00 177.10 172.51 1ti6 n SER 558 N -4.21 -1.17 0.00 0.00 2.88 -1.20 -1.71 113.62 108.20 1ti6 n SER 558 Ca -0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1ti6 n SER 558 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 1ti6 n SER 558 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ti6 n GLY 559 N 0.00 1.36 0.00 0.46 0.00 -1.26 -1.63 105.19 104.12 1ti6 n GLY 559 Ca 0.00 0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1ti6 n GLY 559 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ti6 n TYR 560 N 0.00 0.00 -3.21 1.61 0.18 -1.26 -3.42 117.16 111.06 1ti6 n TYR 560 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1ti6 n TYR 560 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1ti6 n TYR 560 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1ti6 n ILE 561 N -0.96 0.09 -1.60 -3.48 5.41 -0.65 -4.28 119.36 113.90 1ti6 n ILE 561 Ca 0.20 -4.42 -0.52 0.00 1.00 0.00 0.00 62.75 59.02 1ti6 n ILE 561 Cb 0.09 -1.53 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 1ti6 n ILE 561 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ti6 n PRO 562 N 0.95 1.20 -3.87 0.38 -0.02 -1.22 -2.21 135.00 130.22 1ti6 n PRO 562 Ca 0.24 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 1ti6 n PRO 562 Cb 0.54 -2.09 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1ti6 n PRO 562 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ti6 n ASP 563 N 2.66 -4.50 0.00 2.55 8.00 -1.26 -4.85 116.55 119.15 1ti6 n ASP 563 Ca 0.19 -0.77 0.12 0.00 0.71 0.00 0.00 54.79 55.04 1ti6 n ASP 563 Cb 0.19 -3.97 0.71 0.00 -0.02 0.00 0.00 41.12 38.03 1ti6 n ASP 563 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ti6 n ASN 564 N -2.87 0.00 0.12 -2.24 2.04 -0.94 -2.67 115.26 108.70 1ti6 n ASN 564 Ca 0.00 -0.61 0.09 0.00 -0.44 0.00 0.00 54.58 53.62 1ti6 n ASN 564 Cb 0.54 -0.07 0.44 0.00 -2.53 0.00 0.00 39.78 38.17 1ti6 n ASN 564 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ti6 n TYR 565 N -1.07 0.58 0.69 -2.53 4.11 -1.26 -1.52 117.16 116.15 1ti6 n TYR 565 Ca 0.17 0.27 0.04 0.00 -0.00 0.00 0.00 57.90 58.38 1ti6 n TYR 565 Cb 0.11 -0.94 0.23 0.00 -0.00 0.00 0.00 39.34 38.74 1ti6 n TYR 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ti6 n GLN 566 N -2.07 0.34 0.22 -3.48 10.64 -1.09 -1.20 117.38 120.75 1ti6 n GLN 566 Ca 0.00 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.29 1ti6 n GLN 566 Cb 0.09 -1.36 0.23 0.00 -0.86 0.00 0.00 30.24 28.34 1ti6 n GLN 566 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1ti6 h LEU 567 N 0.00 0.00-10.28 2.61 3.38 -1.42 -3.13 115.31 106.47 1ti6 h LEU 567 Ca 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1ti6 h LEU 567 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ti6 h LEU 567 CO 0.00 0.04 -0.30 0.00 0.09 0.00 0.00 178.44 178.27 1ti6 h ASN 569 N 0.85 0.00 -4.98 0.00 2.35 -1.86 -3.46 115.58 108.48 1ti6 h ASN 569 Ca -0.48 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.15 1ti6 h ASN 569 Cb 1.24 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.41 1ti6 h ASN 569 CO 0.57 0.00 -0.28 -1.00 -1.65 0.00 0.00 177.43 175.07 1ti6 s HIS 570 N -3.22 -0.17 -0.30 1.19 3.76 -1.26 -4.84 115.29 110.45 1ti6 s HIS 570 Ca 0.07 0.25 -0.23 0.00 -0.15 0.00 0.00 55.06 55.00 1ti6 s HIS 570 Cb 0.06 0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.84 1ti6 s HIS 570 CO 0.65 -0.39 0.79 1.03 -0.85 0.00 0.00 174.74 175.97 1ti6 s ARG 571 N -1.33 4.00 -0.19 1.40 0.52 -1.26 -4.96 118.95 117.14 1ti6 s ARG 571 Ca -0.14 0.63 0.01 0.00 -0.52 0.00 0.00 55.73 55.71 1ti6 s ARG 571 Cb -0.05 -3.71 0.02 0.00 0.52 0.00 0.00 34.95 31.72 1ti6 s ARG 571 CO 0.04 -0.65 -0.19 0.08 0.02 0.00 0.00 175.30 174.61 1ti6 s VAL 572 N 2.93 2.13 -0.22 3.52 1.01 -1.26 -1.29 120.40 127.22 1ti6 s VAL 572 Ca 0.32 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1ti6 s VAL 572 Cb -0.14 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1ti6 s VAL 572 CO 0.12 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.15 1ti6 s ILE 573 N 1.29 4.49 0.08 2.22 1.01 -0.29 -0.72 121.20 129.27 1ti6 s ILE 573 Ca 0.04 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1ti6 s ILE 573 Cb -0.14 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1ti6 s ILE 573 CO -0.12 0.39 -0.13 -0.94 0.00 0.00 0.00 174.94 174.14 1ti6 s SER 574 N 1.10 1.58 -0.06 3.58 1.04 -0.40 0.31 113.70 120.85 1ti6 s SER 574 Ca 0.04 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.56 1ti6 s SER 574 Cb -0.14 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1ti6 s SER 574 CO 0.03 -0.13 0.78 -0.22 0.98 0.00 0.00 173.24 174.68 1ti6 s LEU 575 N -1.90 4.32 -0.86 2.42 2.96 0.16 -2.37 118.68 123.41 1ti6 s LEU 575 Ca -0.01 1.30 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 1ti6 s LEU 575 Cb -0.08 -3.21 0.17 0.00 0.50 0.00 0.00 46.19 43.57 1ti6 s LEU 575 CO 0.02 -0.17 0.93 -1.10 -1.32 0.00 0.00 176.35 174.71 1ti6 s GLN 576 N 0.95 3.56 0.37 1.98 -0.21 0.38 -3.75 119.66 122.95 1ti6 s GLN 576 Ca 0.41 -2.05 -0.27 0.00 0.02 0.00 0.00 55.36 53.47 1ti6 s GLN 576 Cb -0.18 -4.65 -0.09 0.00 1.00 0.00 0.00 33.01 29.09 1ti6 s GLN 576 CO 0.20 -1.53 1.22 0.00 -2.12 0.00 0.00 175.29 173.05 1ti6 s ALA 577 N 1.53 3.29 -0.73 6.09 0.00 -0.58 -1.96 121.76 129.40 1ti6 s ALA 577 Ca 0.24 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 1ti6 s ALA 577 Cb -0.09 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ti6 s ALA 577 CO -0.08 -0.56 1.67 0.21 0.00 0.00 0.00 175.76 177.00 1ti6 s LYS 578 N -2.05 2.86 0.23 0.00 2.20 -1.24 -4.78 119.74 116.96 1ti6 s LYS 578 Ca 0.53 0.08 0.03 0.00 -0.36 0.00 0.00 55.97 56.25 1ti6 s LYS 578 Cb -0.34 -4.52 0.22 0.00 -1.51 0.00 0.00 37.83 31.68 1ti6 s LYS 578 CO 0.44 -2.62 1.54 0.00 -0.36 0.00 0.00 175.35 174.36 1ti6 s ILE 580 N -3.78 0.04 0.48 0.00 -4.36 -1.13 -4.82 121.20 107.63 1ti6 s ILE 580 Ca -0.05 -1.59 -0.20 0.00 -0.26 0.00 0.00 60.65 58.56 1ti6 s ILE 580 Cb 0.12 -2.10 -0.09 0.00 1.25 0.00 0.00 42.46 41.64 1ti6 s ILE 580 CO 0.81 -0.17 1.04 -1.61 0.24 0.00 0.00 174.94 175.24 1ti6 s GLU 581 N -4.03 3.81 0.26 0.37 0.41 -1.26 -4.41 118.70 113.85 1ti6 s GLU 581 Ca 0.24 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 55.86 1ti6 s GLU 581 Cb 0.04 -2.10 -0.14 0.00 -1.78 0.00 0.00 34.13 30.15 1ti6 s GLU 581 CO 0.05 -0.42 1.21 -2.30 -0.49 0.00 0.00 175.26 173.31 1ti6 n PRO 582 N -0.95 1.68 -2.38 0.39 -0.02 -1.26 -4.91 135.00 127.54 1ti6 n PRO 582 Ca 0.09 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 1ti6 n PRO 582 Cb 0.53 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1ti6 n PRO 582 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ti6 s VAL 583 N -0.61 3.56 0.00 -1.45 1.01 -1.26 -4.75 120.40 116.90 1ti6 s VAL 583 Ca 0.63 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1ti6 s VAL 583 Cb -0.69 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1ti6 s VAL 583 CO 0.56 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.50 1ti6 n GLY 584 N 2.07 3.05 1.72 4.51 0.00 -1.26 -2.20 105.19 113.06 1ti6 n GLY 584 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 1ti6 n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ti6 n GLU 585 N 13.92 3.41 -1.54 1.61 1.02 -0.06 -5.00 120.64 134.01 1ti6 n GLU 585 Ca 0.00 -3.07 -0.31 0.00 -0.02 0.00 0.00 57.16 53.76 1ti6 n GLU 585 Cb 0.00 -2.11 0.06 0.00 -0.02 0.00 0.00 31.44 29.37 1ti6 n GLU 585 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ti6 s SER 586 N -1.36 5.09 0.06 1.62 1.04 -0.94 -4.81 113.70 114.40 1ti6 s SER 586 Ca 0.52 1.56 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 1ti6 s SER 586 Cb 0.42 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 64.17 1ti6 s SER 586 CO 0.11 -1.62 0.34 0.00 0.98 0.00 0.00 173.24 173.05 1ti6 s MET 587 N -5.06 0.88 0.61 4.02 0.23 -0.88 -4.71 119.30 114.39 1ti6 s MET 587 Ca 0.59 -0.54 -0.18 0.00 -1.03 0.00 0.00 55.69 54.53 1ti6 s MET 587 Cb -0.14 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.50 1ti6 s MET 587 CO 0.55 -0.30 1.07 -1.13 -2.03 0.00 0.00 175.02 173.18 1ti6 n SER 588 N 0.38 1.22 0.15 -1.18 3.41 -1.26 -2.62 113.62 113.72 1ti6 n SER 588 Ca -0.18 0.82 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1ti6 n SER 588 Cb 0.60 -1.44 0.55 0.00 -0.26 0.00 0.00 64.21 63.66 1ti6 n SER 588 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ti6 h ASP 589 N 0.54 0.19 -0.26 4.04 3.32 -1.94 -0.68 116.42 121.63 1ti6 h ASP 589 Ca -0.49 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1ti6 h ASP 589 Cb 1.35 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1ti6 h ASP 589 CO 0.52 0.14 0.07 0.22 -1.72 0.00 0.00 179.24 178.46 1ti6 h TYR 590 N 0.23 0.44 -0.05 4.55 5.03 -1.93 -0.78 116.97 124.46 1ti6 h TYR 590 Ca 0.06 -0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1ti6 h TYR 590 Cb -0.02 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.12 1ti6 h TYR 590 CO -0.00 0.50 -0.41 0.93 -1.32 0.00 0.00 178.16 177.85 1ti6 h GLU 591 N 0.25 0.10 -0.17 1.82 4.39 -1.72 0.10 114.58 119.36 1ti6 h GLU 591 Ca 0.08 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ti6 h GLU 591 Cb 0.28 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1ti6 h GLU 591 CO 0.00 0.50 0.06 0.82 -1.16 0.00 0.00 179.01 179.22 1ti6 h ILE 592 N 0.09 1.18 -0.12 3.13 2.04 -0.89 -1.37 117.51 121.57 1ti6 h ILE 592 Ca 0.01 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 1ti6 h ILE 592 Cb 0.77 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1ti6 h ILE 592 CO 0.06 0.17 -0.31 1.88 0.00 0.00 0.00 178.15 179.94 1ti6 h TYR 593 N 0.10 0.26 -0.22 1.37 0.99 -0.84 -1.72 116.97 116.91 1ti6 h TYR 593 Ca 0.05 -0.06 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1ti6 h TYR 593 Cb 0.21 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1ti6 h TYR 593 CO -0.00 0.53 -0.31 -0.09 -0.00 0.00 0.00 178.16 178.28 1ti6 h ARG 594 N 0.21 0.45 -0.33 4.88 2.43 -0.57 0.24 114.38 121.69 1ti6 h ARG 594 Ca 0.03 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1ti6 h ARG 594 Cb 0.66 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1ti6 h ARG 594 CO 0.05 0.72 -0.14 1.25 -1.51 0.00 0.00 179.97 180.34 1ti6 h LEU 595 N 0.39 0.69 -0.53 3.80 5.85 -0.81 -2.01 115.31 122.69 1ti6 h LEU 595 Ca 0.05 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 1ti6 h LEU 595 Cb 0.74 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1ti6 h LEU 595 CO 0.06 0.93 0.05 -0.26 -0.34 0.00 0.00 178.44 178.88 1ti6 h PHE 596 N 0.45 0.97 -0.97 1.25 -1.00 -1.00 -2.58 116.94 114.06 1ti6 h PHE 596 Ca 0.08 -0.15 0.06 0.00 2.81 0.00 0.00 57.97 60.77 1ti6 h PHE 596 Cb 0.66 -0.26 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 1ti6 h PHE 596 CO 0.06 0.88 0.63 0.00 -1.61 0.00 0.00 178.31 178.27 1ti6 h ALA 597 N 0.97 1.43 -0.07 2.45 0.00 -0.40 0.18 119.26 123.81 1ti6 h ALA 597 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ti6 h ALA 597 Cb 0.45 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ti6 h ALA 597 CO 0.02 0.44 0.04 -0.22 0.00 0.00 0.00 179.25 179.52 1ti6 h LYS 598 N 1.15 0.10 0.00 0.00 3.64 -1.10 0.26 116.57 120.62 1ti6 h LYS 598 Ca 0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1ti6 h LYS 598 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ti6 h LYS 598 CO -0.16 0.15 0.00 0.87 -2.27 0.00 0.00 179.45 178.05 1ti6 h LYS 599 N 0.03 0.00 -0.13 1.90 1.57 -0.97 -2.27 116.57 116.70 1ti6 h LYS 599 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ti6 h LYS 599 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ti6 h LYS 599 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1ti6 n LEU 600 N -2.44 2.87 -2.02 2.94 4.77 0.56 -4.96 117.00 118.71 1ti6 n LEU 600 Ca 0.03 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.81 1ti6 n LEU 600 Cb 0.30 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1ti6 n LEU 600 CO 0.24 0.53 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.59 1ti6 n ASN 601 N 1.19 -4.61 -0.63 -1.43 5.15 -0.37 -4.91 115.26 109.65 1ti6 n ASN 601 Ca 0.16 -0.16 0.03 0.00 -0.60 0.00 0.00 54.58 54.02 1ti6 n ASN 601 Cb 0.56 -3.53 0.05 0.00 -0.53 0.00 0.00 39.78 36.33 1ti6 n ASN 601 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ti6 n ILE 602 N -4.09 0.59 -0.15 -1.44 -5.35 0.76 -4.89 119.36 104.79 1ti6 n ILE 602 Ca -0.10 -0.98 -0.04 0.00 -0.27 0.00 0.00 62.75 61.36 1ti6 n ILE 602 Cb 0.59 0.39 0.05 0.00 -1.74 0.00 0.00 39.64 38.92 1ti6 n ILE 602 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ti6 h GLU 603 N 0.30 0.42 -0.16 6.28 4.81 -1.73 -1.30 114.58 123.20 1ti6 h GLU 603 Ca -0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ti6 h GLU 603 Cb 1.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1ti6 h GLU 603 CO 0.02 0.28 0.06 1.49 -0.73 0.00 0.00 179.01 180.12 1ti6 h GLU 604 N 0.43 0.13 -0.78 1.92 4.57 -1.90 0.65 114.58 119.60 1ti6 h GLU 604 Ca 0.22 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 1ti6 h GLU 604 Cb 0.16 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1ti6 h GLU 604 CO -0.18 0.09 0.39 0.52 -1.18 0.00 0.00 179.01 178.65 1ti6 h MET 605 N 0.14 1.11 0.13 1.92 2.86 -1.89 0.29 114.93 119.49 1ti6 h MET 605 Ca 0.07 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1ti6 h MET 605 Cb 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1ti6 h MET 605 CO -0.06 0.85 -0.06 0.35 1.06 0.00 0.00 176.91 179.04 1ti6 h PHE 606 N 1.09 -0.16 0.00 -0.22 3.57 -1.02 -3.37 116.94 116.83 1ti6 h PHE 606 Ca 0.27 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 1ti6 h PHE 606 Cb 0.09 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1ti6 h PHE 606 CO 0.01 0.31 -1.08 0.66 -2.23 0.00 0.00 178.31 175.98 1ti6 h SER 607 N -0.85 0.00 -3.22 0.41 4.64 -0.92 -3.47 113.55 110.14 1ti6 h SER 607 Ca -0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1ti6 h SER 607 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1ti6 h SER 607 CO 0.03 0.86 -0.42 -0.62 -0.87 0.00 0.00 176.83 175.81 1ti6 n GLU 608 N -3.22 -1.90 -1.69 4.77 1.02 0.10 -1.03 120.64 118.70 1ti6 n GLU 608 Ca -0.04 0.83 -0.14 0.00 -0.02 0.00 0.00 57.16 57.79 1ti6 n GLU 608 Cb 0.91 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 26.85 1ti6 n GLU 608 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 609 N -0.87 0.91 3.42 0.62 0.00 -1.26 -5.01 105.19 102.99 1ti6 n GLY 609 Ca -0.20 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1ti6 n GLY 609 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 610 N -3.68 2.16 0.74 1.61 1.02 -0.20 -5.10 119.74 116.30 1ti6 s LYS 610 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1ti6 s LYS 610 Cb 0.00 -2.18 0.14 0.00 -0.52 0.00 0.00 37.83 35.27 1ti6 s LYS 610 CO 0.00 0.56 1.02 0.16 -0.92 0.00 0.00 175.35 176.17 1ti6 s ASP 611 N -1.04 4.23 0.26 2.83 1.47 -1.26 -4.88 116.67 118.27 1ti6 s ASP 611 Ca 0.12 -0.54 -0.02 0.00 1.18 0.00 0.00 52.55 53.29 1ti6 s ASP 611 Cb -0.10 0.26 0.45 0.00 -0.34 0.00 0.00 42.92 43.18 1ti6 s ASP 611 CO 0.02 -1.96 1.83 -0.33 0.68 0.00 0.00 175.17 175.41 1ti6 h GLU 612 N -0.56 0.88 -0.26 2.11 5.08 -1.99 -2.08 114.58 117.76 1ti6 h GLU 612 Ca -0.34 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1ti6 h GLU 612 Cb 1.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1ti6 h GLU 612 CO 0.37 0.58 -0.14 1.25 -1.00 0.00 0.00 179.01 180.07 1ti6 h LEU 613 N 0.90 0.42 -0.48 1.33 5.85 -1.94 -1.16 115.31 120.23 1ti6 h LEU 613 Ca 0.43 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.93 1ti6 h LEU 613 Cb 0.38 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ti6 h LEU 613 CO -0.24 0.59 -0.15 0.00 -0.34 0.00 0.00 178.44 178.30 1ti6 h ALA 614 N 1.45 0.67 -0.50 1.25 0.00 -1.75 -2.29 119.26 118.08 1ti6 h ALA 614 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1ti6 h ALA 614 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ti6 h ALA 614 CO 0.03 0.60 -0.11 -1.49 0.00 0.00 0.00 179.25 178.29 1ti6 h TRP 615 N 0.80 1.03 -0.95 0.00 4.06 -1.14 -2.41 115.95 117.33 1ti6 h TRP 615 Ca 0.12 -0.20 0.04 0.00 2.06 0.00 0.00 58.89 60.90 1ti6 h TRP 615 Cb 0.72 -0.26 -0.06 0.00 -1.00 0.00 0.00 29.16 28.56 1ti6 h TRP 615 CO 0.05 0.97 0.62 0.00 -3.56 0.00 0.00 178.44 176.52 1ti6 h GLU 617 N 1.20 0.83 -0.63 0.00 4.81 -1.21 0.11 114.58 119.70 1ti6 h GLU 617 Ca 0.38 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1ti6 h GLU 617 Cb 0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1ti6 h GLU 617 CO -0.12 1.01 0.20 0.37 -0.73 0.00 0.00 179.01 179.74 1ti6 h GLN 618 N 0.64 0.98 0.11 1.92 4.15 -1.01 -1.58 115.11 120.31 1ti6 h GLN 618 Ca 0.08 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.31 1ti6 h GLN 618 Cb 0.77 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1ti6 h GLN 618 CO 0.06 0.86 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.74 1ti6 h TYR 619 N 0.90 -0.40 -0.56 3.99 3.20 -0.41 -2.40 116.97 121.29 1ti6 h TYR 619 Ca 0.20 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.18 1ti6 h TYR 619 Cb 0.28 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 38.64 1ti6 h TYR 619 CO 0.02 -0.23 0.10 0.35 -1.64 0.00 0.00 178.16 176.76 1ti6 h PHE 620 N -0.32 0.16 0.00 -3.82 3.57 -0.53 -0.47 116.94 115.53 1ti6 h PHE 620 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ti6 h PHE 620 Cb 0.32 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1ti6 h PHE 620 CO -0.16 -0.04 0.00 -0.91 -2.23 0.00 0.00 178.31 174.98 1ti6 h ASN 621 N 0.23 0.00 -0.18 0.41 2.35 -0.94 -2.19 115.58 115.26 1ti6 h ASN 621 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1ti6 h ASN 621 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1ti6 h ASN 621 CO -0.39 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.39 1ti6 n ALA 622 N -1.84 2.51 -3.61 -0.83 0.00 -0.19 -4.90 120.51 111.65 1ti6 n ALA 622 Ca 0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 53.44 52.73 1ti6 n ALA 622 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ti6 n ALA 622 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ti6 n THR 623 N 0.57 0.00 1.46 0.00 -2.24 -0.83 -4.73 114.28 108.52 1ti6 n THR 623 Ca 0.17 -0.82 0.14 0.00 -2.27 0.00 0.00 64.05 61.27 1ti6 n THR 623 Cb 0.40 -0.35 0.59 0.00 -2.10 0.00 0.00 70.33 68.87 1ti6 n THR 623 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ti6 n ASP 624 N -1.99 0.72 -0.31 3.42 10.43 -0.58 -4.27 116.55 123.97 1ti6 n ASP 624 Ca -0.00 -0.87 0.08 0.00 2.57 0.00 0.00 54.79 56.57 1ti6 n ASP 624 Cb 0.24 -0.01 0.24 0.00 1.84 0.00 0.00 41.12 43.43 1ti6 n ASP 624 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1ti6 h MET 625 N 0.97 0.66 -0.11 -1.24 2.86 -1.79 -1.36 114.93 114.92 1ti6 h MET 625 Ca 0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1ti6 h MET 625 Cb 0.37 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ti6 h MET 625 CO 0.00 0.43 0.42 -1.35 1.06 0.00 0.00 176.91 177.48 1ti6 h PRO 626 N 0.68 0.00 0.00 -0.22 0.11 -1.74 0.31 132.00 131.14 1ti6 h PRO 626 Ca 0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 1ti6 h PRO 626 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1ti6 h PRO 626 CO -0.36 0.00 -0.25 0.87 -0.21 0.00 0.00 178.00 178.05 1ti6 h LYS 627 N 0.00 0.00 0.00 1.05 1.57 -1.57 -3.31 116.57 114.31 1ti6 h LYS 627 Ca 0.05 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.58 1ti6 h LYS 627 Cb 0.90 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1ti6 h LYS 627 CO -0.00 0.25 -1.94 0.66 -0.57 0.00 0.00 179.45 177.85 1ti6 n TYR 628 N -3.61 0.00 -3.46 -1.35 4.02 0.10 -5.07 117.16 107.79 1ti6 n TYR 628 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1ti6 n TYR 628 Cb 0.38 -0.66 -0.03 0.00 -0.02 0.00 0.00 39.34 39.01 1ti6 n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ti6 s MET 629 N -2.33 1.13 0.68 -0.72 0.23 -0.65 -5.12 119.30 112.52 1ti6 s MET 629 Ca -0.12 -0.29 -0.10 0.00 -1.03 0.00 0.00 55.69 54.16 1ti6 s MET 629 Cb 0.05 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.89 1ti6 s MET 629 CO 0.50 -0.47 1.05 0.95 -2.03 0.00 0.00 175.02 175.03 1ti6 s THR 630 N -3.08 3.40 0.14 3.16 -4.23 -1.26 -3.74 115.64 110.03 1ti6 s THR 630 Ca -0.00 0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.65 1ti6 s THR 630 Cb -0.01 -3.43 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1ti6 s THR 630 CO -0.08 -0.54 1.72 -0.25 -0.54 0.00 0.00 174.62 174.94 1ti6 h TRP 631 N -0.56 0.04 -0.99 3.99 2.91 -1.96 -0.15 115.95 119.23 1ti6 h TRP 631 Ca -0.45 0.02 0.05 0.00 1.13 0.00 0.00 58.89 59.64 1ti6 h TRP 631 Cb 1.26 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.87 1ti6 h TRP 631 CO 0.48 -0.01 0.65 -0.44 -1.03 0.00 0.00 178.44 178.08 1ti6 h ASP 632 N 0.13 1.06 -0.27 2.65 3.45 -1.99 0.27 116.42 121.72 1ti6 h ASP 632 Ca 0.14 -0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.49 1ti6 h ASP 632 Cb 0.17 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1ti6 h ASP 632 CO -0.21 0.71 -0.22 -0.33 -1.57 0.00 0.00 179.24 177.62 1ti6 h GLU 633 N 1.22 0.63 -0.24 3.56 5.08 -1.79 -2.47 114.58 120.57 1ti6 h GLU 633 Ca 0.41 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1ti6 h GLU 633 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ti6 h GLU 633 CO -0.14 0.91 0.11 0.35 -1.00 0.00 0.00 179.01 179.24 1ti6 h PHE 634 N 0.37 0.35 -0.82 4.33 3.57 -0.54 -1.28 116.94 122.91 1ti6 h PHE 634 Ca 0.05 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1ti6 h PHE 634 Cb 0.77 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 1ti6 h PHE 634 CO 0.07 0.35 0.54 0.35 -2.23 0.00 0.00 178.31 177.38 1ti6 h PHE 635 N 0.25 0.83 0.01 0.41 3.57 -0.47 0.21 116.94 121.75 1ti6 h PHE 635 Ca 0.08 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.34 1ti6 h PHE 635 Cb 0.13 -0.27 0.02 0.00 2.79 0.00 0.00 35.95 38.62 1ti6 h PHE 635 CO -0.02 0.39 -1.05 -0.22 -2.23 0.00 0.00 178.31 175.18 1ti6 h LYS 636 N 0.78 0.68 -0.21 1.11 3.64 -1.08 -3.30 116.57 118.18 1ti6 h LYS 636 Ca 0.38 -0.74 -0.18 0.00 -1.27 0.00 0.00 60.65 58.84 1ti6 h LYS 636 Cb 0.43 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ti6 h LYS 636 CO -0.15 1.32 -0.57 -0.22 -2.27 0.00 0.00 179.45 177.55 1ti6 h LYS 637 N 0.38 0.75 0.00 1.90 3.64 -0.75 -3.48 116.57 119.02 1ti6 h LYS 637 Ca -0.13 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1ti6 h LYS 637 Cb 1.70 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1ti6 h LYS 637 CO 0.20 1.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.95 1ti6 n GLY 638 N 0.52 2.91 3.35 5.01 0.00 0.69 -4.98 105.19 112.70 1ti6 n GLY 638 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1ti6 n GLY 638 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ti6 s TYR 639 N -2.20 -0.34 -0.03 1.61 -0.85 -1.26 0.40 117.35 114.69 1ti6 s TYR 639 Ca 0.00 0.29 -0.00 0.00 -0.52 0.00 0.00 57.07 56.84 1ti6 s TYR 639 Cb 0.00 0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.66 1ti6 s TYR 639 CO 0.00 -0.63 0.03 0.12 -1.52 0.00 0.00 175.55 173.55 1ti6 s PHE 640 N -2.66 0.11 -0.33 -3.49 5.36 0.15 -4.98 117.98 112.13 1ti6 s PHE 640 Ca -0.04 0.12 -0.18 0.00 -0.96 0.00 0.00 56.93 55.87 1ti6 s PHE 640 Cb -0.00 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1ti6 s PHE 640 CO -0.04 -0.13 0.50 0.08 -1.46 0.00 0.00 175.22 174.18 1ti6 s VAL 641 N 1.31 5.04 0.21 3.12 1.01 -1.26 -1.14 120.40 128.69 1ti6 s VAL 641 Ca -0.06 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1ti6 s VAL 641 Cb -0.13 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1ti6 s VAL 641 CO -0.03 -0.15 1.54 -0.69 0.00 0.00 0.00 175.10 175.77 1ti6 s VAL 642 N 2.35 2.55 0.84 2.92 1.01 -0.41 -4.37 120.40 125.29 1ti6 s VAL 642 Ca 0.18 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 1ti6 s VAL 642 Cb -0.16 -3.27 0.10 0.00 0.00 0.00 0.00 36.38 33.05 1ti6 s VAL 642 CO 0.13 0.05 1.15 -2.84 0.00 0.00 0.00 175.10 173.58 1ti6 s PRO 643 N 0.50 1.57 0.57 2.72 0.02 -1.26 -4.65 135.00 134.46 1ti6 s PRO 643 Ca 0.66 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 63.05 1ti6 s PRO 643 Cb -0.44 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 1ti6 s PRO 643 CO 0.37 -2.22 1.02 0.34 -0.33 0.00 0.00 177.00 176.18 1ti6 s ASP 644 N -2.67 6.18 -0.61 2.53 3.68 -1.26 -4.60 116.67 119.91 1ti6 s ASP 644 Ca 0.67 1.65 0.06 0.00 2.13 0.00 0.00 52.55 57.06 1ti6 s ASP 644 Cb -0.23 -2.51 0.23 0.00 -1.45 0.00 0.00 42.92 38.95 1ti6 s ASP 644 CO 0.54 -0.90 0.64 -3.20 0.13 0.00 0.00 175.17 172.39 1ti6 n ASN 645 N -1.98 2.94 -0.35 -0.34 2.85 -1.26 -4.97 115.26 112.15 1ti6 n ASN 645 Ca 0.07 -3.25 0.25 0.00 -0.11 0.00 0.00 54.58 51.54 1ti6 n ASN 645 Cb 0.54 -0.68 0.51 0.00 1.24 0.00 0.00 39.78 41.39 1ti6 n ASN 645 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ti6 h PRO 646 N 4.50 0.35 -0.01 1.20 0.11 -1.95 -2.91 132.00 133.29 1ti6 h PRO 646 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ti6 h PRO 646 Cb 0.72 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ti6 h PRO 646 CO 0.74 0.23 -0.42 0.09 -0.21 0.00 0.00 178.00 178.44 1ti6 n ASN 647 N -4.71 0.98 -4.77 -2.05 3.02 -1.26 -4.93 115.26 101.54 1ti6 n ASN 647 Ca 0.28 -0.78 -0.40 0.00 -0.03 0.00 0.00 54.58 53.65 1ti6 n ASN 647 Cb 0.96 0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 40.40 1ti6 n ASN 647 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ti6 s ARG 648 N -2.69 4.14 0.36 3.52 1.70 -1.10 -4.93 118.95 119.95 1ti6 s ARG 648 Ca 0.18 2.30 -0.27 0.00 -0.47 0.00 0.00 55.73 57.48 1ti6 s ARG 648 Cb 0.18 -2.93 -0.09 0.00 -0.57 0.00 0.00 34.95 31.54 1ti6 s ARG 648 CO 0.61 -0.40 1.21 -1.59 -1.08 0.00 0.00 175.30 174.05 1ti6 s LYS 649 N -2.04 4.24 0.14 3.89 -2.85 -1.26 -4.99 119.74 116.88 1ti6 s LYS 649 Ca 0.53 1.98 -0.26 0.00 -1.00 0.00 0.00 55.97 57.22 1ti6 s LYS 649 Cb -0.41 -2.90 -0.07 0.00 -2.06 0.00 0.00 37.83 32.39 1ti6 s LYS 649 CO 0.55 -0.20 0.80 0.15 0.10 0.00 0.00 175.35 176.74 1ti6 s LYS 650 N -1.99 4.58 -0.39 1.78 -0.14 -1.26 -5.03 119.74 117.30 1ti6 s LYS 650 Ca 0.52 1.18 0.01 0.00 -1.36 0.00 0.00 55.97 56.32 1ti6 s LYS 650 Cb -0.34 -3.29 0.12 0.00 -1.68 0.00 0.00 37.83 32.64 1ti6 s LYS 650 CO 0.44 0.48 0.18 0.95 -0.76 0.00 0.00 175.35 176.65 1ti6 s THR 651 N -0.84 1.22 0.24 2.17 -4.23 -1.26 -5.11 115.64 107.83 1ti6 s THR 651 Ca 0.37 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.44 1ti6 s THR 651 Cb -0.23 -1.88 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 1ti6 s THR 651 CO 0.26 -0.82 1.37 -0.69 -0.54 0.00 0.00 174.62 174.20 1ti6 s VAL 652 N 0.81 2.88 0.05 2.29 1.01 -1.26 -4.38 120.40 121.80 1ti6 s VAL 652 Ca 0.15 0.75 -0.38 0.00 0.00 0.00 0.00 61.98 62.50 1ti6 s VAL 652 Cb -0.22 -3.48 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 1ti6 s VAL 652 CO -0.08 0.12 1.18 0.00 0.00 0.00 0.00 175.10 176.33 1ti6 n ALA 653 N 2.24 -2.27 -0.79 5.51 0.00 -0.41 -1.65 120.51 123.14 1ti6 n ALA 653 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1ti6 n ALA 653 Cb 0.41 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1ti6 n ALA 653 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ti6 n LEU 654 N 2.00 0.98 0.13 0.00 4.77 -1.26 -4.51 117.00 119.11 1ti6 n LEU 654 Ca 0.19 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1ti6 n LEU 654 Cb 0.14 -2.08 0.27 0.00 -2.33 0.00 0.00 43.42 39.42 1ti6 n LEU 654 CO 0.61 -0.79 0.66 -0.09 -1.33 0.00 0.00 177.39 176.45 1ti6 h ARG 655 N 0.00 0.12 -0.68 3.23 2.43 -1.42 -0.96 114.38 117.10 1ti6 h ARG 655 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1ti6 h ARG 655 Cb 0.61 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1ti6 h ARG 655 CO 0.00 0.52 0.26 0.11 -1.51 0.00 0.00 179.97 179.35 1ti6 h TRP 656 N 0.10 1.02 -0.22 2.20 5.08 -1.88 -0.92 115.95 121.33 1ti6 h TRP 656 Ca 0.01 -0.07 -0.07 0.00 1.08 0.00 0.00 58.89 59.84 1ti6 h TRP 656 Cb 0.79 -0.31 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1ti6 h TRP 656 CO 0.01 0.79 -0.13 0.35 -1.28 0.00 0.00 178.44 178.17 1ti6 h PHE 657 N 0.98 0.57 -0.11 0.12 3.57 -1.66 -0.89 116.94 119.52 1ti6 h PHE 657 Ca 0.23 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ti6 h PHE 657 Cb 0.21 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1ti6 h PHE 657 CO 0.02 0.78 0.03 0.00 -2.23 0.00 0.00 178.31 176.90 1ti6 h ALA 658 N 0.70 1.85 -0.53 2.41 0.00 -0.85 -2.26 119.26 120.58 1ti6 h ALA 658 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ti6 h ALA 658 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ti6 h ALA 658 CO 0.04 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.80 1ti6 n GLU 659 N -4.47 2.53 -3.12 0.00 1.02 -0.38 -4.97 120.64 111.24 1ti6 n GLU 659 Ca -0.01 -2.34 -0.23 0.00 -0.02 0.00 0.00 57.16 54.56 1ti6 n GLU 659 Cb 0.12 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.06 1ti6 n GLU 659 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti6 n GLY 660 N 1.54 -0.53 2.58 0.62 0.00 -0.83 -5.01 105.19 103.56 1ti6 n GLY 660 Ca 0.21 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 1ti6 n GLY 660 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ti6 n ARG 661 N -4.21 1.02 -2.05 1.61 1.85 -0.40 -4.99 116.66 109.49 1ti6 n ARG 661 Ca -0.09 -2.63 -0.41 0.00 -1.00 0.00 0.00 57.85 53.72 1ti6 n ARG 661 Cb 0.61 0.85 -0.01 0.00 -1.05 0.00 0.00 32.46 32.85 1ti6 n ARG 661 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1ti6 s GLU 662 N -3.28 4.25 0.15 2.89 8.01 -1.26 -4.52 118.70 124.94 1ti6 s GLU 662 Ca 0.03 2.27 -0.34 0.00 0.01 0.00 0.00 54.97 56.94 1ti6 s GLU 662 Cb 0.00 -3.00 -0.14 0.00 -4.31 0.00 0.00 34.13 26.67 1ti6 s GLU 662 CO 0.02 -0.30 1.53 1.17 0.01 0.00 0.00 175.26 177.69 1ti6 n LYS 663 N 0.63 1.96 0.00 1.61 0.00 -0.85 -4.86 118.16 116.65 1ti6 n LYS 663 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 58.31 59.02 1ti6 n LYS 663 Cb 0.42 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.00 1ti6 n LYS 663 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ti6 n ASP 664 N 3.22 0.89 -4.68 3.14 5.75 -1.26 -5.08 116.55 118.53 1ti6 n ASP 664 Ca 0.17 -1.34 -0.25 0.00 -0.01 0.00 0.00 54.79 53.35 1ti6 n ASP 664 Cb 0.27 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.46 1ti6 n ASP 664 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ti6 s THR 665 N -0.34 2.21 -2.04 2.12 -4.23 -1.26 -4.93 115.64 107.16 1ti6 s THR 665 Ca 0.00 -0.37 0.18 0.00 -1.18 0.00 0.00 61.69 60.32 1ti6 s THR 665 Cb 0.00 -2.84 0.49 0.00 1.34 0.00 0.00 72.50 71.48 1ti6 s THR 665 CO 0.00 0.00 1.65 -2.65 -0.54 0.00 0.00 174.62 173.08 1ti6 n PRO 666 N -3.01 1.11 -1.39 3.99 -0.02 -1.26 -4.93 135.00 129.48 1ti6 n PRO 666 Ca 0.12 -0.16 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 1ti6 n PRO 666 Cb 0.60 -1.29 0.06 0.00 -0.02 0.00 0.00 33.50 32.86 1ti6 n PRO 666 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1ti6 n ASP 667 N -0.61 -0.43 -0.46 2.55 2.03 -1.26 -4.87 116.55 113.51 1ti6 n ASP 667 Ca 0.13 0.67 0.03 0.00 0.52 0.00 0.00 54.79 56.14 1ti6 n ASP 667 Cb 0.10 -1.28 0.08 0.00 -0.72 0.00 0.00 41.12 39.30 1ti6 n ASP 667 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ti6 n TRP 668 N -2.16 0.31 -3.83 -0.67 7.02 -1.26 -4.88 117.44 111.96 1ti6 n TRP 668 Ca 0.12 -0.13 -0.05 0.00 -1.02 0.00 0.00 57.50 56.42 1ti6 n TRP 668 Cb 0.49 -0.05 0.01 0.00 -2.42 0.00 0.00 31.31 29.34 1ti6 n TRP 668 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1ti6 s GLY 669 N -0.79 0.06 0.68 6.99 0.00 -1.26 -4.63 107.32 108.37 1ti6 s GLY 669 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 1ti6 s GLY 669 CO 0.07 0.94 1.06 2.56 0.00 0.00 0.00 173.10 177.73 1ti6 s PRO 670 N -2.64 3.02 0.57 2.90 0.04 -1.26 -5.05 135.00 132.57 1ti6 s PRO 670 Ca 0.17 0.97 -0.19 0.00 0.04 0.00 0.00 61.00 61.99 1ti6 s PRO 670 Cb -0.03 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1ti6 s PRO 670 CO 0.06 -1.03 1.16 1.03 0.04 0.00 0.00 177.00 178.26 1ti6 s ARG 671 N -4.95 3.16 0.30 4.56 0.52 -1.26 -4.91 118.95 116.37 1ti6 s ARG 671 Ca 0.58 1.69 0.06 0.00 -0.52 0.00 0.00 55.73 57.54 1ti6 s ARG 671 Cb -0.14 -1.97 0.74 0.00 0.52 0.00 0.00 34.95 34.10 1ti6 s ARG 671 CO 0.53 -1.02 1.76 -0.07 0.02 0.00 0.00 175.30 176.52 1ti6 h LEU 672 N 0.99 0.73 -0.20 2.53 3.38 -1.98 -0.23 115.31 120.54 1ti6 h LEU 672 Ca -0.50 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1ti6 h LEU 672 Cb 1.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ti6 h LEU 672 CO 0.56 0.23 0.00 -0.46 0.09 0.00 0.00 178.44 178.86 1ti6 n ASN 673 N -4.81 0.19 -1.59 -0.43 0.23 -1.26 -2.17 115.26 105.43 1ti6 n ASN 673 Ca 0.23 0.55 0.10 0.00 -0.53 0.00 0.00 54.58 54.93 1ti6 n ASN 673 Cb 0.59 -0.59 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 1ti6 n ASN 673 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ti6 n ASN 674 N -1.71 4.70 -4.18 0.53 5.03 -0.10 -4.93 115.26 114.60 1ti6 n ASN 674 Ca 0.03 -2.41 -0.11 0.00 0.87 0.00 0.00 54.58 52.97 1ti6 n ASN 674 Cb 0.19 -0.58 -0.10 0.00 -1.02 0.00 0.00 39.78 38.27 1ti6 n ASN 674 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1ti6 s GLN 675 N -1.78 0.93 -0.27 3.52 -0.21 -0.92 -4.31 119.66 116.62 1ti6 s GLN 675 Ca 0.51 -1.43 -0.04 0.00 0.02 0.00 0.00 55.36 54.43 1ti6 s GLN 675 Cb 0.32 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.34 1ti6 s GLN 675 CO 0.26 -0.16 0.00 0.08 -2.12 0.00 0.00 175.29 173.35 1ti6 s VAL 676 N -3.82 3.30 -1.47 1.09 1.01 -1.24 -4.53 120.40 114.74 1ti6 s VAL 676 Ca 0.20 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1ti6 s VAL 676 Cb 0.07 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.76 1ti6 s VAL 676 CO -0.00 0.10 0.78 0.00 0.00 0.00 0.00 175.10 175.98 1ti6 n ARG 678 N -4.31 -2.89 -4.34 0.00 1.85 -1.26 -4.82 116.66 100.88 1ti6 n ARG 678 Ca -0.04 0.35 -0.23 0.00 -1.00 0.00 0.00 57.85 56.92 1ti6 n ARG 678 Cb 0.58 -4.95 -0.11 0.00 -1.05 0.00 0.00 32.46 26.93 1ti6 n ARG 678 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ti6 s LYS 679 N -6.93 1.30 0.00 2.89 1.02 -1.00 -2.00 119.74 115.01 1ti6 s LYS 679 Ca 0.64 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1ti6 s LYS 679 Cb -0.35 -1.43 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1ti6 s LYS 679 CO 0.94 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 176.07 1ti6 n GLY 680 N 0.37 -1.21 3.91 -3.33 0.00 -1.26 -3.64 105.19 100.03 1ti6 n GLY 680 Ca -0.14 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1ti6 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ti6 s LEU 681 N -3.83 2.58 0.57 0.99 1.43 0.08 -4.89 118.68 115.61 1ti6 s LEU 681 Ca 0.00 0.52 0.36 0.00 -1.03 0.00 0.00 54.13 53.97 1ti6 s LEU 681 Cb 0.00 -2.77 1.56 0.00 0.03 0.00 0.00 46.19 45.01 1ti6 s LEU 681 CO 0.00 -2.37 2.05 -0.61 0.23 0.00 0.00 176.35 175.65 1ti6 h GLN 682 N -1.39 0.00 -7.13 1.70 4.15 -1.76 -3.38 115.11 107.31 1ti6 h GLN 682 Ca -0.45 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.45 1ti6 h GLN 682 Cb 1.28 0.00 0.21 0.00 0.21 0.00 0.00 27.48 29.18 1ti6 h GLN 682 CO 0.51 0.00 -0.02 0.25 -1.93 0.00 0.00 178.83 177.65 1ti6 n THR 683 N -3.07 0.00 -0.05 2.39 -2.24 -1.26 -4.85 114.28 105.20 1ti6 n THR 683 Ca -0.00 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1ti6 n THR 683 Cb 0.26 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.58 1ti6 n THR 683 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ti6 h THR 684 N -1.86 0.55 0.00 4.28 2.02 -1.90 -1.56 112.91 114.43 1ti6 h THR 684 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1ti6 h THR 684 Cb 1.28 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1ti6 h THR 684 CO 0.40 0.00 0.00 0.71 0.37 0.00 0.00 175.52 177.00 1ti6 h THR 685 N -0.14 0.00 0.00 3.16 1.35 -1.92 -3.47 112.91 111.90 1ti6 h THR 685 Ca 0.14 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1ti6 h THR 685 Cb 0.34 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1ti6 h THR 685 CO -0.33 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.55 1ti6 n GLY 686 N 0.78 0.76 3.77 5.82 0.00 -0.59 -4.92 105.19 110.80 1ti6 n GLY 686 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ti6 n GLY 686 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ti6 s LYS 687 N -0.06 2.18 -0.35 1.61 1.02 -1.26 -0.74 119.74 122.13 1ti6 s LYS 687 Ca 0.00 -2.19 -0.29 0.00 0.02 0.00 0.00 55.97 53.51 1ti6 s LYS 687 Cb 0.00 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1ti6 s LYS 687 CO 0.00 -0.33 1.22 0.08 -0.92 0.00 0.00 175.35 175.40 1ti6 s VAL 688 N -2.79 4.22 -0.69 3.17 1.01 -0.06 -4.76 120.40 120.50 1ti6 s VAL 688 Ca 0.21 1.35 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 1ti6 s VAL 688 Cb 0.02 -4.32 0.12 0.00 0.00 0.00 0.00 36.38 32.20 1ti6 s VAL 688 CO 0.12 -0.62 0.83 -1.61 0.00 0.00 0.00 175.10 173.82 1ti6 s GLU 689 N 4.18 3.21 0.58 2.72 2.02 0.56 -0.31 118.70 131.67 1ti6 s GLU 689 Ca 0.52 -1.45 0.36 0.00 0.02 0.00 0.00 54.97 54.42 1ti6 s GLU 689 Cb -0.13 -4.40 1.77 0.00 0.10 0.00 0.00 34.13 31.47 1ti6 s GLU 689 CO 0.24 -1.60 2.15 0.74 0.02 0.00 0.00 175.26 176.81 1ti6 h PHE 690 N 9.03 0.00 -3.53 1.61 -1.00 -1.44 -3.23 116.94 118.38 1ti6 h PHE 690 Ca -0.17 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.98 1ti6 h PHE 690 Cb 1.07 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 40.23 1ti6 h PHE 690 CO 0.94 0.04 -0.73 0.42 -1.61 0.00 0.00 178.31 177.36 1ti6 s ILE 691 N -3.99 1.85 0.02 -0.55 1.01 -1.25 -1.85 121.20 116.45 1ti6 s ILE 691 Ca -0.02 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.26 1ti6 s ILE 691 Cb 0.12 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.13 1ti6 s ILE 691 CO 0.51 -0.62 1.69 0.00 0.00 0.00 0.00 174.94 176.51 1ti6 s ALA 692 N 1.12 3.64 0.24 9.38 0.00 -0.15 -4.87 121.76 131.13 1ti6 s ALA 692 Ca 0.11 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1ti6 s ALA 692 Cb -0.18 -3.73 0.29 0.00 0.00 0.00 0.00 23.12 19.49 1ti6 s ALA 692 CO -0.13 -1.27 1.68 1.79 0.00 0.00 0.00 175.76 177.83 1ti6 h THR 693 N 5.19 1.26 -0.26 0.00 1.35 -1.89 -0.46 112.91 118.10 1ti6 h THR 693 Ca -0.42 -1.25 -0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1ti6 h THR 693 Cb 1.20 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1ti6 h THR 693 CO 0.94 0.42 0.11 0.77 -0.25 0.00 0.00 175.52 177.50 1ti6 h SER 694 N 0.60 0.35 -0.05 5.36 4.64 -1.91 -0.79 113.55 121.75 1ti6 h SER 694 Ca 0.09 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 1ti6 h SER 694 Cb 0.66 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1ti6 h SER 694 CO 0.05 0.41 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.98 1ti6 h LEU 695 N 0.27 0.59 -0.62 5.97 3.38 -1.89 -1.02 115.31 121.99 1ti6 h LEU 695 Ca 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ti6 h LEU 695 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1ti6 h LEU 695 CO -0.01 0.91 0.35 0.50 0.09 0.00 0.00 178.44 180.28 1ti6 h LYS 696 N 0.47 0.86 -0.14 1.13 3.64 -0.87 0.24 116.57 121.89 1ti6 h LYS 696 Ca 0.05 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ti6 h LYS 696 Cb 0.86 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ti6 h LYS 696 CO 0.07 0.64 0.09 -0.91 -2.27 0.00 0.00 179.45 177.08 1ti6 h ASN 697 N 0.84 0.16 -0.32 4.20 -0.26 -0.86 -0.69 115.58 118.65 1ti6 h ASN 697 Ca 0.22 -0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.99 1ti6 h ASN 697 Cb 0.03 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.20 1ti6 h ASN 697 CO -0.04 0.13 0.02 0.15 -1.06 0.00 0.00 177.43 176.64 1ti6 h PHE 698 N 0.18 0.03 -0.12 1.19 3.57 -0.52 -0.90 116.94 120.36 1ti6 h PHE 698 Ca 0.05 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.46 1ti6 h PHE 698 Cb -0.00 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1ti6 h PHE 698 CO -0.06 -0.03 -0.44 1.05 -2.23 0.00 0.00 178.31 176.60 1ti6 h GLU 699 N 0.12 0.29 0.00 1.11 4.11 -0.37 -2.44 114.58 117.40 1ti6 h GLU 699 Ca 0.15 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1ti6 h GLU 699 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ti6 h GLU 699 CO -0.24 0.68 -0.08 0.93 0.07 0.00 0.00 179.01 180.37 1ti6 h GLU 700 N 0.24 0.00 -0.04 1.06 5.08 -0.52 -0.64 114.58 119.77 1ti6 h GLU 700 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ti6 h GLU 700 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1ti6 h GLU 700 CO 0.07 0.08 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1ti6 n GLN 701 N -3.25 1.21 -0.01 2.33 6.02 -0.40 -4.88 117.38 118.40 1ti6 n GLN 701 Ca -0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1ti6 n GLN 701 Cb 0.32 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1ti6 n GLN 701 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ti6 n GLY 702 N 0.93 0.51 3.21 1.08 0.00 -0.25 -5.02 105.19 105.66 1ti6 n GLY 702 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ti6 n GLY 702 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ti6 n TYR 703 N -2.00 4.08 -2.38 1.61 4.02 -1.01 -4.99 117.16 116.49 1ti6 n TYR 703 Ca 0.00 -3.14 -0.42 0.00 -0.01 0.00 0.00 57.90 54.33 1ti6 n TYR 703 Cb 0.00 -2.01 -0.03 0.00 -0.02 0.00 0.00 39.34 37.28 1ti6 n TYR 703 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ti6 s ILE 704 N 0.67 4.06 -0.31 -0.72 -1.09 -1.26 -4.21 121.20 118.34 1ti6 s ILE 704 Ca 0.40 1.41 -0.02 0.00 -2.23 0.00 0.00 60.65 60.21 1ti6 s ILE 704 Cb 0.02 -3.91 0.10 0.00 -1.58 0.00 0.00 42.46 37.09 1ti6 s ILE 704 CO 0.00 0.01 0.13 -0.62 -1.23 0.00 0.00 174.94 173.23 1ti6 s ASP 705 N 1.55 3.70 0.31 3.58 -1.08 -1.26 -5.00 116.67 118.46 1ti6 s ASP 705 Ca 0.59 -1.55 0.05 0.00 -0.52 0.00 0.00 52.55 51.12 1ti6 s ASP 705 Cb -0.27 -0.59 0.69 0.00 -1.46 0.00 0.00 42.92 41.28 1ti6 s ASP 705 CO 0.24 -0.41 1.83 -0.08 0.52 0.00 0.00 175.17 177.27 1ti6 h GLU 706 N 8.11 0.82 -0.65 4.34 4.81 -2.02 -2.00 114.58 127.98 1ti6 h GLU 706 Ca -0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1ti6 h GLU 706 Cb 1.01 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1ti6 h GLU 706 CO 0.44 0.54 0.00 0.72 -0.73 0.00 0.00 179.01 179.98 1ti6 n HIS 707 N -4.64 0.74 -2.85 0.92 8.25 -1.26 -4.22 115.22 112.16 1ti6 n HIS 707 Ca 0.20 -0.28 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 1ti6 n HIS 707 Cb 0.46 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.40 1ti6 n HIS 707 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1ti6 n ARG 708 N 0.32 0.76 -2.08 -0.41 0.63 -0.75 -4.78 116.66 110.35 1ti6 n ARG 708 Ca 0.11 -2.08 -0.33 0.00 -0.92 0.00 0.00 57.85 54.64 1ti6 n ARG 708 Cb 0.53 -1.41 0.01 0.00 0.45 0.00 0.00 32.46 32.04 1ti6 n ARG 708 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1ti6 s PRO 709 N 0.27 3.28 0.35 -0.14 0.04 -1.24 -4.73 135.00 132.83 1ti6 s PRO 709 Ca 0.33 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.72 1ti6 s PRO 709 Cb 0.21 -2.02 0.66 0.00 0.04 0.00 0.00 34.50 33.39 1ti6 s PRO 709 CO -0.22 -0.85 1.94 0.66 0.04 0.00 0.00 177.00 178.57 1ti6 h SER 710 N 0.59 0.55 -3.11 6.66 4.64 -1.89 -3.41 113.55 117.58 1ti6 h SER 710 Ca -0.48 -0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.18 1ti6 h SER 710 Cb 1.23 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 63.11 1ti6 h SER 710 CO 0.57 0.52 -0.24 -0.32 -0.87 0.00 0.00 176.83 176.49 1ti6 s MET 711 N -5.25 4.04 -0.19 4.77 -2.45 -1.26 -0.98 119.30 117.98 1ti6 s MET 711 Ca -0.08 0.31 -0.29 0.00 -1.25 0.00 0.00 55.69 54.38 1ti6 s MET 711 Cb 0.16 -3.30 -0.04 0.00 1.25 0.00 0.00 34.83 32.90 1ti6 s MET 711 CO 0.76 0.50 1.80 -1.58 1.05 0.00 0.00 175.02 177.55 1ti6 s HIS 712 N -0.42 1.77 0.27 4.11 2.46 -0.77 -4.94 115.29 117.77 1ti6 s HIS 712 Ca 0.22 0.39 0.03 0.00 0.47 0.00 0.00 55.06 56.17 1ti6 s HIS 712 Cb -0.15 -4.03 -0.04 0.00 -0.13 0.00 0.00 32.58 28.24 1ti6 s HIS 712 CO 0.10 -3.58 0.20 0.95 -2.47 0.00 0.00 174.74 169.94 1ti6 s THR 713 N 5.81 0.03 -1.07 0.89 -4.23 -1.26 -5.03 115.64 110.77 1ti6 s THR 713 Ca 0.80 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 1ti6 s THR 713 Cb -0.29 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.14 1ti6 s THR 713 CO 0.33 0.00 1.42 -0.47 -0.54 0.00 0.00 174.62 175.36 1ti6 s TYR 714 N -3.80 2.85 -0.35 3.99 5.04 -1.26 -4.91 117.35 118.91 1ti6 s TYR 714 Ca 0.40 -1.30 -0.22 0.00 -2.44 0.00 0.00 57.07 53.51 1ti6 s TYR 714 Cb 0.05 -4.56 0.00 0.00 0.35 0.00 0.00 41.96 37.81 1ti6 s TYR 714 CO 0.19 -1.73 0.71 0.08 -1.34 0.00 0.00 175.55 173.46 1ti6 s VAL 715 N 3.82 4.83 0.20 3.14 1.01 -1.26 -5.00 120.40 127.13 1ti6 s VAL 715 Ca 0.44 0.80 -0.33 0.00 0.00 0.00 0.00 61.98 62.89 1ti6 s VAL 715 Cb -0.01 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1ti6 s VAL 715 CO -0.05 -0.33 1.62 -2.65 0.00 0.00 0.00 175.10 173.69 1ti6 n PRO 716 N 6.18 2.43 -1.69 2.72 -0.02 -1.26 -4.87 135.00 138.49 1ti6 n PRO 716 Ca 0.01 0.87 -0.44 0.00 -2.02 0.00 0.00 63.50 61.92 1ti6 n PRO 716 Cb 0.48 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1ti6 n PRO 716 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ti6 n ALA 717 N 3.35 1.91 0.37 3.55 0.00 -1.26 -4.85 120.51 123.58 1ti6 n ALA 717 Ca 0.15 0.38 0.05 0.00 0.00 0.00 0.00 53.44 54.03 1ti6 n ALA 717 Cb 0.32 -2.47 0.23 0.00 0.00 0.00 0.00 19.45 17.52 1ti6 n ALA 717 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1ti6 n TRP 718 N 4.46 0.00 -3.28 0.00 4.27 -1.26 -3.08 117.44 118.54 1ti6 n TRP 718 Ca 0.18 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.53 1ti6 n TRP 718 Cb 0.33 -0.48 -0.07 0.00 -1.36 0.00 0.00 31.31 29.73 1ti6 n TRP 718 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1ti6 n GLU 719 N -1.48 1.69 -4.37 -2.67 4.07 -1.26 -4.58 120.64 112.05 1ti6 n GLU 719 Ca 0.03 -3.98 -0.19 0.00 -0.06 0.00 0.00 57.16 52.96 1ti6 n GLU 719 Cb 0.12 -1.77 -0.10 0.00 -0.06 0.00 0.00 31.44 29.63 1ti6 n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1ti6 s SER 720 N -1.98 2.44 0.30 4.31 1.04 -1.18 -4.39 113.70 114.25 1ti6 s SER 720 Ca 0.38 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.74 1ti6 s SER 720 Cb 0.18 -0.11 0.49 0.00 0.10 0.00 0.00 66.02 66.67 1ti6 s SER 720 CO -0.07 -0.32 1.75 1.56 0.98 0.00 0.00 173.24 177.15 1ti6 h GLN 721 N 2.45 0.39 0.00 4.02 4.20 -1.92 -2.39 115.11 121.87 1ti6 h GLN 721 Ca -0.39 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1ti6 h GLN 721 Cb 1.22 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1ti6 h GLN 721 CO 0.65 0.62 -1.14 0.36 -0.67 0.00 0.00 178.83 178.65 1ti6 n LYS 722 N -4.13 0.18 0.00 1.46 2.85 -1.26 -4.50 118.16 112.76 1ti6 n LYS 722 Ca -0.01 -0.04 0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1ti6 n LYS 722 Cb 0.39 -1.53 -0.03 0.00 -0.65 0.00 0.00 35.03 33.22 1ti6 n LYS 722 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ti6 n HIS 723 N -1.74 0.00 -3.62 5.58 8.25 -1.23 -5.00 115.22 117.46 1ti6 n HIS 723 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.12 1ti6 n HIS 723 Cb 0.40 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 1ti6 n HIS 723 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ti6 s SER 724 N -1.49 6.35 0.63 0.41 0.15 -0.90 -4.91 113.70 113.94 1ti6 s SER 724 Ca 0.03 0.40 0.36 0.00 0.70 0.00 0.00 55.95 57.44 1ti6 s SER 724 Cb 0.05 -2.14 2.01 0.00 -1.71 0.00 0.00 66.02 64.23 1ti6 s SER 724 CO 0.24 0.14 2.23 -0.65 1.20 0.00 0.00 173.24 176.40 1ti6 h PRO 725 N 6.63 0.00 0.00 5.44 0.11 -1.89 -0.56 132.00 141.74 1ti6 h PRO 725 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 1ti6 h PRO 725 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ti6 h PRO 725 CO 0.75 0.00 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.16 1ti6 h LEU 726 N 0.00 0.00 -2.03 2.35 4.07 -1.92 -3.30 115.31 114.48 1ti6 h LEU 726 Ca 0.02 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1ti6 h LEU 726 Cb 0.18 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1ti6 h LEU 726 CO -0.00 0.31 0.10 0.00 -1.08 0.00 0.00 178.44 177.77 1ti6 h ALA 727 N 1.69 2.09 0.00 1.53 0.00 -1.26 -0.32 119.26 122.99 1ti6 h ALA 727 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ti6 h ALA 727 Cb 0.83 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ti6 h ALA 727 CO 0.04 -0.17 -0.32 -0.39 0.00 0.00 0.00 179.25 178.42 1ti6 h VAL 728 N 0.00 0.92 0.05 0.00 -1.51 -1.76 -2.82 116.25 111.13 1ti6 h VAL 728 Ca 0.06 -1.22 -0.37 0.00 -1.23 0.00 0.00 66.70 63.95 1ti6 h VAL 728 Cb 0.26 1.72 -0.05 0.00 -2.13 0.00 0.00 31.29 31.10 1ti6 h VAL 728 CO -0.00 0.31 -2.18 1.17 -1.23 0.00 0.00 177.57 175.64 1ti6 n LYS 729 N -3.72 0.70 -3.86 5.19 4.81 -0.84 -4.70 118.16 115.74 1ti6 n LYS 729 Ca -0.01 0.20 -0.30 0.00 -0.87 0.00 0.00 58.31 57.33 1ti6 n LYS 729 Cb 0.42 -1.63 -0.13 0.00 0.02 0.00 0.00 35.03 33.70 1ti6 n LYS 729 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1ti6 s TYR 730 N -2.54 2.83 -0.20 5.64 2.02 -0.19 -4.82 117.35 120.09 1ti6 s TYR 730 Ca -0.23 -2.96 0.29 0.00 -0.37 0.00 0.00 57.07 53.80 1ti6 s TYR 730 Cb 0.08 -2.48 1.09 0.00 -0.40 0.00 0.00 41.96 40.24 1ti6 s TYR 730 CO 0.72 -0.73 1.85 -1.00 -1.57 0.00 0.00 175.55 174.82 1ti6 h PRO 731 N 6.39 0.00 -5.83 -1.71 0.13 -1.50 -3.36 132.00 126.12 1ti6 h PRO 731 Ca -0.02 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.53 1ti6 h PRO 731 Cb 0.88 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.94 1ti6 h PRO 731 CO 0.63 0.00 -0.11 -0.51 -0.23 0.00 0.00 178.00 177.77 1ti6 s LEU 732 N -5.56 4.32 -0.23 1.56 1.43 -0.47 -4.94 118.68 114.79 1ti6 s LEU 732 Ca 0.03 0.90 -0.19 0.00 -1.03 0.00 0.00 54.13 53.85 1ti6 s LEU 732 Cb 0.09 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 1ti6 s LEU 732 CO 0.52 0.04 0.55 -0.83 0.23 0.00 0.00 176.35 176.86 1ti6 s GLY 733 N 0.36 1.95 -0.09 -3.19 0.00 -0.45 -0.99 107.32 104.91 1ti6 s GLY 733 Ca 0.27 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1ti6 s GLY 733 CO 0.12 1.23 -0.10 -0.29 0.00 0.00 0.00 173.10 174.06 1ti6 s MET 734 N 2.03 2.98 0.04 2.90 1.75 0.72 -0.47 119.30 129.25 1ti6 s MET 734 Ca 0.24 -0.62 0.07 0.00 -1.25 0.00 0.00 55.69 54.14 1ti6 s MET 734 Cb -0.16 -2.59 -0.03 0.00 2.84 0.00 0.00 34.83 34.89 1ti6 s MET 734 CO 0.09 0.48 -0.19 -0.48 -0.65 0.00 0.00 175.02 174.27 1ti6 s LEU 735 N -0.32 2.57 -0.43 4.11 2.34 -1.03 -2.34 118.68 123.58 1ti6 s LEU 735 Ca 0.04 -0.45 0.07 0.00 0.06 0.00 0.00 54.13 53.85 1ti6 s LEU 735 Cb -0.13 -1.50 0.23 0.00 -0.56 0.00 0.00 46.19 44.24 1ti6 s LEU 735 CO 0.02 0.25 0.51 -1.54 -1.06 0.00 0.00 176.35 174.54 1ti6 n SER 736 N 1.54 0.48 -3.25 1.48 3.41 -1.26 -2.73 113.62 113.29 1ti6 n SER 736 Ca -0.16 -2.72 -0.23 0.00 -0.26 0.00 0.00 58.87 55.50 1ti6 n SER 736 Cb 0.52 -0.63 0.21 0.00 -0.26 0.00 0.00 64.21 64.05 1ti6 n SER 736 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1ti6 n PRO 737 N 1.62 -3.28 -2.27 4.33 -0.02 -1.26 -3.52 135.00 130.59 1ti6 n PRO 737 Ca 0.23 -1.25 -0.41 0.00 -2.02 0.00 0.00 63.50 60.06 1ti6 n PRO 737 Cb 0.51 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 1ti6 n PRO 737 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1ti6 s HIS 738 N -2.24 3.29 0.16 6.00 3.76 -1.26 -0.92 115.29 124.07 1ti6 s HIS 738 Ca 0.53 1.50 -0.33 0.00 -0.15 0.00 0.00 55.06 56.61 1ti6 s HIS 738 Cb -0.07 -3.51 -0.13 0.00 1.11 0.00 0.00 32.58 29.98 1ti6 s HIS 738 CO 0.42 -1.34 1.68 -0.35 -0.85 0.00 0.00 174.74 174.30 1ti6 n PRO 739 N 1.20 2.47 -0.16 8.40 -0.04 -1.26 -4.84 135.00 140.77 1ti6 n PRO 739 Ca 0.00 0.89 -0.08 0.00 -0.04 0.00 0.00 63.50 64.28 1ti6 n PRO 739 Cb 0.43 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1ti6 n PRO 739 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ti6 h ARG 740 N 6.75 0.69 -0.62 0.54 9.65 -1.93 -3.25 114.38 126.22 1ti6 h ARG 740 Ca -0.45 -0.11 -0.23 0.00 -1.10 0.00 0.00 59.98 58.09 1ti6 h ARG 740 Cb 1.23 -0.12 -0.14 0.00 -1.39 0.00 0.00 29.97 29.55 1ti6 h ARG 740 CO 0.93 0.59 0.22 1.19 2.80 0.00 0.00 179.97 185.70 1ti6 n PHE 741 N -4.61 1.99 -3.58 2.20 3.01 -1.26 -4.87 117.46 110.34 1ti6 n PHE 741 Ca 0.01 -1.38 -0.17 0.00 1.01 0.00 0.00 57.45 56.92 1ti6 n PHE 741 Cb 0.13 -0.63 -0.07 0.00 -0.01 0.00 0.00 39.48 38.90 1ti6 n PHE 741 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ti6 s SER 742 N -1.62 -0.56 -0.89 4.37 0.15 -1.23 -4.22 113.70 109.70 1ti6 s SER 742 Ca 0.51 0.64 -0.17 0.00 0.70 0.00 0.00 55.95 57.62 1ti6 s SER 742 Cb 0.42 0.56 0.16 0.00 -1.71 0.00 0.00 66.02 65.45 1ti6 s SER 742 CO 0.09 -0.54 1.00 -0.32 1.20 0.00 0.00 173.24 174.67 1ti6 s MET 743 N -1.08 3.59 6.41 5.44 1.75 -0.94 -4.48 119.30 129.99 1ti6 s MET 743 Ca -0.11 -1.98 0.00 0.00 -1.25 0.00 0.00 55.69 52.36 1ti6 s MET 743 Cb -0.02 -4.74 0.00 0.00 2.84 0.00 0.00 34.83 32.91 1ti6 s MET 743 CO 0.08 -1.61 0.00 0.72 -0.65 0.00 0.00 175.02 173.56 1ti6 n HIS 744 N 5.71 0.00 1.08 4.11 8.25 -1.26 -1.08 115.22 132.03 1ti6 n HIS 744 Ca 0.20 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.80 1ti6 n HIS 744 Cb 0.48 0.00 0.61 0.00 1.12 0.00 0.00 29.99 32.20 1ti6 n HIS 744 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ti6 n THR 745 N 0.00 0.00 -2.76 1.59 -2.24 -1.22 -4.55 114.28 105.10 1ti6 n THR 745 Ca 0.00 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1ti6 n THR 745 Cb 0.00 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1ti6 n THR 745 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1ti6 s MET 746 N -2.91 3.71 0.00 -0.78 -1.94 -0.24 -3.42 119.30 113.71 1ti6 s MET 746 Ca 0.17 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 1ti6 s MET 746 Cb 0.19 -5.17 0.00 0.00 2.01 0.00 0.00 34.83 31.86 1ti6 s MET 746 CO 0.53 -1.98 0.00 0.41 -0.01 0.00 0.00 175.02 173.97 1ti6 n GLY 747 N 5.78 3.04 3.82 -0.03 0.00 -1.26 -2.22 105.19 114.31 1ti6 n GLY 747 Ca 0.32 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ti6 n GLY 747 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 748 N 0.00 6.31 0.95 1.61 2.15 -1.22 -4.62 116.67 121.85 1ti6 s ASP 748 Ca 0.00 1.74 0.00 0.00 0.43 0.00 0.00 52.55 54.72 1ti6 s ASP 748 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1ti6 s ASP 748 CO 0.00 -0.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 1ti6 n GLY 749 N -0.99 1.98 2.43 2.66 0.00 -1.26 -4.72 105.19 105.29 1ti6 n GLY 749 Ca 0.08 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1ti6 n GLY 749 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 750 N 7.26 -1.67 -2.07 1.61 5.02 -1.26 -0.49 118.16 126.55 1ti6 n LYS 750 Ca 0.00 0.61 -0.20 0.00 -2.02 0.00 0.00 58.31 56.70 1ti6 n LYS 750 Cb 0.00 -4.70 -0.04 0.00 -0.02 0.00 0.00 35.03 30.27 1ti6 n LYS 750 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ti6 n ASN 751 N -0.25 -5.63 -4.70 4.39 5.15 -1.26 -4.40 115.26 108.55 1ti6 n ASN 751 Ca -0.07 0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.80 1ti6 n ASN 751 Cb 0.42 -4.75 0.16 0.00 -0.53 0.00 0.00 39.78 35.07 1ti6 n ASN 751 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ti6 s SER 752 N -2.36 3.05 0.43 1.20 1.04 0.35 -4.94 113.70 112.47 1ti6 s SER 752 Ca 0.00 1.27 0.21 0.00 0.48 0.00 0.00 55.95 57.91 1ti6 s SER 752 Cb 0.00 -1.94 0.98 0.00 0.10 0.00 0.00 66.02 65.16 1ti6 s SER 752 CO 0.00 -2.88 1.88 1.88 0.98 0.00 0.00 173.24 175.10 1ti6 h TYR 753 N -1.72 0.00 0.00 5.02 0.05 -1.87 -3.02 116.97 115.43 1ti6 h TYR 753 Ca -0.52 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.25 1ti6 h TYR 753 Cb 1.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.05 1ti6 h TYR 753 CO 0.34 0.27 -0.03 0.52 -1.05 0.00 0.00 178.16 178.21 1ti6 h MET 754 N 0.00 0.00 0.00 4.88 2.86 -1.88 -1.77 114.93 119.02 1ti6 h MET 754 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ti6 h MET 754 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1ti6 h MET 754 CO 0.03 0.03 0.00 0.09 1.06 0.00 0.00 176.91 178.12 1ti6 n ASN 755 N -3.61 0.36 -0.51 1.22 3.02 -1.14 -1.81 115.26 112.79 1ti6 n ASN 755 Ca -0.03 0.60 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1ti6 n ASN 755 Cb 0.12 -0.67 0.36 0.00 -0.61 0.00 0.00 39.78 38.98 1ti6 n ASN 755 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ti6 n TYR 756 N -1.91 0.00 -2.32 3.10 4.02 -0.67 -4.40 117.16 114.98 1ti6 n TYR 756 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1ti6 n TYR 756 Cb 0.17 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1ti6 n TYR 756 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ti6 s ILE 757 N -2.17 3.85 0.27 -0.72 1.01 -0.75 -4.93 121.20 117.76 1ti6 s ILE 757 Ca 0.31 1.27 -0.01 0.00 0.00 0.00 0.00 60.65 62.22 1ti6 s ILE 757 Cb 0.20 -3.82 0.25 0.00 0.01 0.00 0.00 42.46 39.11 1ti6 s ILE 757 CO 0.40 0.04 1.71 0.11 0.00 0.00 0.00 174.94 177.20 1ti6 h LYS 758 N 7.32 0.41 -0.68 2.79 1.57 -1.90 -1.50 116.57 124.58 1ti6 h LYS 758 Ca -0.39 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1ti6 h LYS 758 Cb 1.19 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1ti6 h LYS 758 CO 0.87 0.27 0.00 -3.47 -0.57 0.00 0.00 179.45 176.55 1ti6 n ASP 759 N -5.03 4.14 -0.04 0.86 2.03 -1.26 -4.31 116.55 112.94 1ti6 n ASP 759 Ca 0.18 -2.57 -0.06 0.00 0.52 0.00 0.00 54.79 52.86 1ti6 n ASP 759 Cb 0.53 -0.59 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 1ti6 n ASP 759 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ti6 n HIS 760 N 0.52 0.00 -4.06 -0.67 -0.00 -0.57 -4.97 115.22 105.46 1ti6 n HIS 760 Ca 0.19 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.26 1ti6 n HIS 760 Cb 0.86 -0.31 -0.11 0.00 -0.12 0.00 0.00 29.99 30.30 1ti6 n HIS 760 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ti6 s ARG 761 N -2.54 0.52 -0.14 1.57 0.52 -1.17 -3.95 118.95 113.77 1ti6 s ARG 761 Ca -0.18 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1ti6 s ARG 761 Cb 0.03 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.38 1ti6 s ARG 761 CO 0.26 -0.00 -0.18 0.08 0.02 0.00 0.00 175.30 175.48 1ti6 s VAL 762 N -1.98 2.44 -0.25 3.52 1.01 0.17 -4.60 120.40 120.70 1ti6 s VAL 762 Ca -0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1ti6 s VAL 762 Cb -0.06 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1ti6 s VAL 762 CO -0.02 0.53 1.11 -0.70 0.00 0.00 0.00 175.10 176.02 1ti6 s GLU 763 N 0.75 4.17 -0.09 2.72 2.12 -1.26 -0.55 118.70 126.56 1ti6 s GLU 763 Ca -0.07 1.31 -0.00 0.00 0.36 0.00 0.00 54.97 56.57 1ti6 s GLU 763 Cb -0.16 -3.71 0.02 0.00 0.26 0.00 0.00 34.13 30.55 1ti6 s GLU 763 CO 0.00 -0.77 -0.06 0.08 -0.54 0.00 0.00 175.26 173.98 1ti6 s VAL 764 N 3.48 0.84 -1.38 3.70 1.01 0.68 -4.84 120.40 123.89 1ti6 s VAL 764 Ca 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ti6 s VAL 764 Cb -0.15 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1ti6 s VAL 764 CO 0.12 0.33 0.49 0.47 0.00 0.00 0.00 175.10 176.50 1ti6 n ASP 765 N 4.79 -0.56 0.00 3.32 8.00 -1.26 -1.92 116.55 128.92 1ti6 n ASP 765 Ca -0.13 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1ti6 n ASP 765 Cb 0.50 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 1ti6 n ASP 765 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ti6 n GLY 766 N -1.88 0.67 3.11 0.44 0.00 -1.26 -5.01 105.19 101.25 1ti6 n GLY 766 Ca -0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1ti6 n GLY 766 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ti6 s TYR 767 N -2.84 1.24 -0.52 1.61 5.04 -0.81 -5.10 117.35 115.97 1ti6 s TYR 767 Ca 0.00 -0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.18 1ti6 s TYR 767 Cb 0.00 -0.79 0.06 0.00 0.35 0.00 0.00 41.96 41.58 1ti6 s TYR 767 CO 0.00 -0.01 0.67 0.15 -1.34 0.00 0.00 175.55 175.03 1ti6 s LYS 768 N -0.48 3.15 0.23 4.97 1.02 -1.26 -0.23 119.74 127.13 1ti6 s LYS 768 Ca 0.05 -0.82 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1ti6 s LYS 768 Cb -0.06 -4.10 -0.07 0.00 -0.52 0.00 0.00 37.83 33.08 1ti6 s LYS 768 CO -0.00 -1.28 0.57 0.71 -0.92 0.00 0.00 175.35 174.43 1ti6 s TYR 769 N 2.82 3.45 0.53 3.18 1.51 0.29 -4.77 117.35 124.36 1ti6 s TYR 769 Ca 0.17 0.94 -0.20 0.00 -1.01 0.00 0.00 57.07 56.97 1ti6 s TYR 769 Cb -0.18 -2.31 -0.06 0.00 -0.11 0.00 0.00 41.96 39.30 1ti6 s TYR 769 CO 0.13 0.28 1.14 -0.46 -1.11 0.00 0.00 175.55 175.52 1ti6 s TRP 770 N -1.78 2.70 -0.05 2.71 -0.11 -1.26 -0.66 118.94 120.49 1ti6 s TRP 770 Ca 0.47 1.54 -0.12 0.00 1.22 0.00 0.00 56.10 59.21 1ti6 s TRP 770 Cb -0.12 -3.32 -0.05 0.00 -1.50 0.00 0.00 33.47 28.48 1ti6 s TRP 770 CO 0.20 -1.60 0.31 0.42 -4.62 0.00 0.00 176.95 171.66 1ti6 s ILE 771 N -1.71 5.21 -0.11 5.86 1.01 -1.25 -0.92 121.20 129.29 1ti6 s ILE 771 Ca 0.71 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1ti6 s ILE 771 Cb -0.25 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ti6 s ILE 771 CO 0.29 0.59 -0.12 -0.32 0.00 0.00 0.00 174.94 175.39 1ti6 s MET 772 N -1.05 1.88 -0.05 2.79 -2.45 -0.75 -4.46 119.30 115.22 1ti6 s MET 772 Ca 0.20 -0.42 -0.21 0.00 -1.25 0.00 0.00 55.69 54.01 1ti6 s MET 772 Cb -0.15 -1.73 -0.05 0.00 1.25 0.00 0.00 34.83 34.15 1ti6 s MET 772 CO 0.10 -0.16 0.60 1.03 1.05 0.00 0.00 175.02 177.65 1ti6 s ARG 773 N 1.29 4.36 -0.01 4.11 0.52 0.18 -1.14 118.95 128.26 1ti6 s ARG 773 Ca -0.02 0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.94 1ti6 s ARG 773 Cb -0.14 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1ti6 s ARG 773 CO -0.05 0.22 -0.07 0.08 0.02 0.00 0.00 175.30 175.50 1ti6 s VAL 774 N 0.31 0.58 0.34 3.52 1.01 -0.64 -1.54 120.40 123.98 1ti6 s VAL 774 Ca 0.32 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1ti6 s VAL 774 Cb -0.17 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 1ti6 s VAL 774 CO 0.16 0.17 1.20 0.21 0.00 0.00 0.00 175.10 176.83 1ti6 s ASN 775 N -0.15 6.86 0.36 3.32 3.84 -1.26 -0.65 114.94 127.26 1ti6 s ASN 775 Ca 0.03 2.45 0.14 0.00 0.21 0.00 0.00 52.86 55.68 1ti6 s ASN 775 Cb -0.03 -2.63 0.99 0.00 -0.55 0.00 0.00 41.25 39.03 1ti6 s ASN 775 CO -0.00 -0.45 1.76 0.77 -2.79 0.00 0.00 177.10 176.39 1ti6 h SER 776 N 3.29 0.56 -0.26 -4.21 4.64 -1.83 -0.67 113.55 115.07 1ti6 h SER 776 Ca -0.48 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1ti6 h SER 776 Cb 1.22 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1ti6 h SER 776 CO 0.65 0.11 0.11 0.40 -0.87 0.00 0.00 176.83 177.23 1ti6 h ILE 777 N 0.50 1.17 -0.24 0.95 2.04 -1.91 0.10 117.51 120.11 1ti6 h ILE 777 Ca 0.61 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 1ti6 h ILE 777 Cb 1.34 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ti6 h ILE 777 CO -0.36 0.17 -0.41 0.44 0.00 0.00 0.00 178.15 177.99 1ti6 h ASP 778 N 0.27 0.62 -0.03 1.72 3.32 -1.66 -2.01 116.42 118.65 1ti6 h ASP 778 Ca 0.09 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ti6 h ASP 778 Cb 0.17 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ti6 h ASP 778 CO -0.01 0.96 0.01 0.00 -1.72 0.00 0.00 179.24 178.48 1ti6 h ALA 779 N 1.07 0.03 -0.74 3.45 0.00 -0.98 -3.01 119.26 119.09 1ti6 h ALA 779 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ti6 h ALA 779 Cb 0.92 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1ti6 h ALA 779 CO 0.08 -0.35 0.47 1.49 0.00 0.00 0.00 179.25 180.94 1ti6 h GLU 780 N -0.18 0.88 0.00 0.00 4.22 -0.75 0.16 114.58 118.91 1ti6 h GLU 780 Ca 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1ti6 h GLU 780 Cb 0.23 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ti6 h GLU 780 CO 0.00 0.58 0.00 0.00 -2.18 0.00 0.00 179.01 177.41 1ti6 h ALA 781 N 1.31 1.00 -0.24 2.92 0.00 -1.26 -1.24 119.26 121.75 1ti6 h ALA 781 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ti6 h ALA 781 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ti6 h ALA 781 CO -0.11 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.68 1ti6 n ARG 782 N -3.02 2.47 -2.02 0.00 1.74 -0.47 -4.97 116.66 110.39 1ti6 n ARG 782 Ca -0.03 -1.81 -0.14 0.00 -0.77 0.00 0.00 57.85 55.10 1ti6 n ARG 782 Cb 0.07 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1ti6 n ARG 782 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ti6 n GLY 783 N 0.37 0.28 3.78 -0.13 0.00 -0.47 -4.64 105.19 104.38 1ti6 n GLY 783 Ca 0.09 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1ti6 n GLY 783 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ti6 s ILE 784 N -2.67 5.27 0.30 -0.61 1.01 0.43 -4.99 121.20 119.95 1ti6 s ILE 784 Ca 0.00 0.57 0.08 0.00 0.00 0.00 0.00 60.65 61.30 1ti6 s ILE 784 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1ti6 s ILE 784 CO 0.00 0.48 -0.08 -0.54 0.00 0.00 0.00 174.94 174.80 1ti6 s LYS 785 N -0.18 1.65 0.02 2.79 1.02 -1.26 -4.11 119.74 119.67 1ti6 s LYS 785 Ca 0.18 -1.84 -0.35 0.00 0.02 0.00 0.00 55.97 53.98 1ti6 s LYS 785 Cb -0.14 -1.37 -0.14 0.00 -0.52 0.00 0.00 37.83 35.66 1ti6 s LYS 785 CO 0.06 0.09 1.66 -1.71 -0.92 0.00 0.00 175.35 174.53 1ti6 n ASN 786 N -0.66 2.91 0.00 2.83 4.05 -1.26 -1.31 115.26 121.82 1ti6 n ASN 786 Ca -0.05 1.05 0.00 0.00 0.45 0.00 0.00 54.58 56.03 1ti6 n ASN 786 Cb 0.63 -1.34 0.00 0.00 1.23 0.00 0.00 39.78 40.30 1ti6 n ASN 786 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ti6 n GLY 787 N 3.68 1.28 3.77 8.20 0.00 0.47 -5.00 105.19 117.58 1ti6 n GLY 787 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1ti6 n GLY 787 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ti6 s ASP 788 N -2.88 5.83 -0.14 1.61 1.01 -0.43 -4.59 116.67 117.07 1ti6 s ASP 788 Ca 0.00 2.31 -0.23 0.00 0.71 0.00 0.00 52.55 55.34 1ti6 s ASP 788 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1ti6 s ASP 788 CO 0.00 -1.15 0.73 -0.76 0.21 0.00 0.00 175.17 174.20 1ti6 s LEU 789 N -3.45 4.21 0.28 1.23 1.43 -1.26 -0.72 118.68 120.40 1ti6 s LEU 789 Ca 0.69 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 1ti6 s LEU 789 Cb -0.28 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.79 1ti6 s LEU 789 CO 0.33 -0.27 -0.11 0.27 0.23 0.00 0.00 176.35 176.80 1ti6 s ILE 790 N 1.63 1.99 -0.23 -0.59 -4.36 0.84 -1.58 121.20 118.91 1ti6 s ILE 790 Ca 0.35 -2.22 -0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1ti6 s ILE 790 Cb -0.17 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1ti6 s ILE 790 CO 0.14 -0.35 -0.07 -0.60 0.24 0.00 0.00 174.94 174.30 1ti6 s ARG 791 N -3.64 2.97 -0.14 0.37 3.52 0.18 -0.91 118.95 121.30 1ti6 s ARG 791 Ca 0.29 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.90 1ti6 s ARG 791 Cb 0.01 -2.94 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1ti6 s ARG 791 CO 0.13 -0.33 0.20 0.00 -0.81 0.00 0.00 175.30 174.49 1ti6 s ALA 792 N 1.35 3.73 0.23 6.12 0.00 -0.36 -1.91 121.76 130.92 1ti6 s ALA 792 Ca 0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1ti6 s ALA 792 Cb -0.16 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.82 1ti6 s ALA 792 CO -0.05 0.33 0.67 1.52 0.00 0.00 0.00 175.76 178.23 1ti6 s TYR 793 N -0.24 -0.34 0.00 0.00 -0.85 -0.18 -1.25 117.35 114.49 1ti6 s TYR 793 Ca 0.14 -0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.69 1ti6 s TYR 793 Cb -0.12 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.86 1ti6 s TYR 793 CO 0.03 -1.07 0.00 0.27 -1.52 0.00 0.00 175.55 173.26 1ti6 n ASN 794 N -0.42 0.00 0.24 -0.18 0.23 -1.07 -1.30 115.26 112.76 1ti6 n ASN 794 Ca -0.10 -0.08 0.08 0.00 -0.53 0.00 0.00 54.58 53.96 1ti6 n ASN 794 Cb 0.62 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.91 1ti6 n ASN 794 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ti6 h ASP 795 N 0.00 0.00 1.41 0.53 3.32 -1.95 -3.20 116.42 116.53 1ti6 h ASP 795 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1ti6 h ASP 795 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ti6 h ASP 795 CO 0.00 0.18 -0.32 0.03 -1.72 0.00 0.00 179.24 177.41 1ti6 h ARG 796 N 0.00 0.00 0.00 3.56 3.08 -1.90 -3.50 114.38 115.62 1ti6 h ARG 796 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ti6 h ARG 796 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1ti6 h ARG 796 CO 0.02 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.66 1ti6 n GLY 797 N 0.86 -1.20 2.91 0.04 0.00 -1.21 -4.77 105.19 101.82 1ti6 n GLY 797 Ca 0.02 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1ti6 n GLY 797 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ti6 s SER 798 N -4.00 0.16 -0.03 1.61 0.01 -1.26 -2.58 113.70 107.61 1ti6 s SER 798 Ca 0.00 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.16 1ti6 s SER 798 Cb 0.00 0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.25 1ti6 s SER 798 CO 0.00 -0.05 -0.05 -0.69 0.41 0.00 0.00 173.24 172.86 1ti6 s VAL 799 N -0.31 0.52 -0.17 3.43 1.01 -0.38 -1.74 120.40 122.76 1ti6 s VAL 799 Ca -0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1ti6 s VAL 799 Cb -0.02 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1ti6 s VAL 799 CO -0.00 0.20 0.41 -0.63 0.00 0.00 0.00 175.10 175.07 1ti6 s ILE 800 N 0.56 5.21 0.16 2.22 -1.09 0.75 -1.22 121.20 127.78 1ti6 s ILE 800 Ca -0.07 0.75 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1ti6 s ILE 800 Cb -0.11 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1ti6 s ILE 800 CO 0.00 0.29 0.05 -0.76 -1.23 0.00 0.00 174.94 173.29 1ti6 s LEU 801 N 1.02 1.81 -0.19 2.97 1.43 -0.09 -4.58 118.68 121.06 1ti6 s LEU 801 Ca 0.21 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.95 1ti6 s LEU 801 Cb -0.15 0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 1ti6 s LEU 801 CO 0.08 -0.69 0.23 0.00 0.23 0.00 0.00 176.35 176.20 1ti6 s ALA 802 N -3.91 3.62 0.19 4.21 0.00 -0.09 -0.11 121.76 125.67 1ti6 s ALA 802 Ca 0.27 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 1ti6 s ALA 802 Cb 0.07 -2.34 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 1ti6 s ALA 802 CO 0.04 0.02 0.86 0.00 0.00 0.00 0.00 175.76 176.68 1ti6 s ALA 803 N 0.64 3.39 -0.30 0.00 0.00 0.10 -1.80 121.76 123.78 1ti6 s ALA 803 Ca 0.12 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1ti6 s ALA 803 Cb -0.13 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1ti6 s ALA 803 CO 0.02 0.23 0.00 -1.14 0.00 0.00 0.00 175.76 174.87 1ti6 s GLN 804 N -1.05 1.58 0.03 0.00 0.74 -0.29 -0.40 119.66 120.28 1ti6 s GLN 804 Ca 0.39 -1.50 -0.30 0.00 0.05 0.00 0.00 55.36 53.99 1ti6 s GLN 804 Cb -0.24 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1ti6 s GLN 804 CO 0.29 -0.80 1.16 0.08 -0.55 0.00 0.00 175.29 175.47 1ti6 s VAL 805 N 1.12 4.21 0.28 1.34 1.01 -1.26 -1.62 120.40 125.48 1ti6 s VAL 805 Ca 0.03 1.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 1ti6 s VAL 805 Cb -0.19 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1ti6 s VAL 805 CO -0.09 0.10 0.34 0.28 0.00 0.00 0.00 175.10 175.73 1ti6 s THR 806 N 1.28 0.00 -1.00 3.92 -1.32 0.17 -4.92 115.64 113.77 1ti6 s THR 806 Ca 0.57 -1.75 0.11 0.00 -1.21 0.00 0.00 61.69 59.41 1ti6 s THR 806 Cb -0.27 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 1ti6 s THR 806 CO 0.28 0.00 0.67 -0.62 -2.21 0.00 0.00 174.62 172.73 1ti6 n GLU 807 N -0.45 1.94 0.00 7.08 -0.58 -1.26 -2.37 120.64 125.00 1ti6 n GLU 807 Ca 0.02 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 1ti6 n GLU 807 Cb 0.63 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 1ti6 n GLU 807 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ti6 s LEU 809 N 0.00 0.51 0.30 0.00 1.43 -1.26 -1.57 118.68 118.08 1ti6 s LEU 809 Ca 0.00 0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 53.59 1ti6 s LEU 809 Cb 0.00 1.32 -0.10 0.00 0.03 0.00 0.00 46.19 47.44 1ti6 s LEU 809 CO 0.00 -0.14 1.33 -1.58 0.23 0.00 0.00 176.35 176.19 1ti6 s GLN 810 N 0.25 4.35 0.18 1.70 0.74 -1.26 -4.71 119.66 120.91 1ti6 s GLN 810 Ca -0.00 2.21 -0.32 0.00 0.05 0.00 0.00 55.36 57.29 1ti6 s GLN 810 Cb -0.03 -3.09 -0.15 0.00 1.10 0.00 0.00 33.01 30.83 1ti6 s GLN 810 CO 0.00 -0.24 1.19 -2.30 -0.55 0.00 0.00 175.29 173.40 1ti6 n PRO 811 N 1.32 1.28 0.00 1.67 -0.02 -1.26 -1.54 135.00 136.45 1ti6 n PRO 811 Ca 0.02 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1ti6 n PRO 811 Cb 0.42 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1ti6 n PRO 811 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ti6 n GLY 812 N 2.02 0.24 3.31 -1.23 0.00 -1.26 -5.07 105.19 103.21 1ti6 n GLY 812 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ti6 n GLY 812 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 813 N -2.00 2.41 0.24 2.61 2.01 -0.59 -1.35 115.64 118.97 1ti6 s THR 813 Ca 0.00 -0.92 0.12 0.00 0.31 0.00 0.00 61.69 61.20 1ti6 s THR 813 Cb 0.00 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1ti6 s THR 813 CO 0.00 0.56 -0.22 0.68 -0.69 0.00 0.00 174.62 174.96 1ti6 s VAL 814 N -0.01 2.44 -0.02 3.82 -7.23 0.38 -4.32 120.40 115.46 1ti6 s VAL 814 Ca -0.07 -2.22 0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1ti6 s VAL 814 Cb -0.15 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1ti6 s VAL 814 CO 0.05 -0.26 -0.02 -2.28 -0.31 0.00 0.00 175.10 172.28 1ti6 s HIS 815 N -2.10 0.33 -0.24 2.82 5.04 -0.59 -2.47 115.29 118.08 1ti6 s HIS 815 Ca 0.26 -0.04 -0.10 0.00 -1.54 0.00 0.00 55.06 53.63 1ti6 s HIS 815 Cb -0.06 -0.30 0.09 0.00 0.04 0.00 0.00 32.58 32.35 1ti6 s HIS 815 CO 0.13 -0.06 0.53 0.45 -2.34 0.00 0.00 174.74 173.45 1ti6 s SER 816 N 0.40 -0.69 0.66 9.88 0.15 -1.10 0.48 113.70 123.48 1ti6 s SER 816 Ca -0.04 1.24 -0.17 0.00 0.70 0.00 0.00 55.95 57.68 1ti6 s SER 816 Cb -0.07 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.77 1ti6 s SER 816 CO -0.01 -0.22 1.24 -0.31 1.20 0.00 0.00 173.24 175.14 1ti6 s TYR 817 N 2.30 2.15 0.00 3.44 4.12 -1.26 -4.01 117.35 124.09 1ti6 s TYR 817 Ca -0.06 1.53 0.00 0.00 0.02 0.00 0.00 57.07 58.56 1ti6 s TYR 817 Cb -0.10 -3.56 0.00 0.00 -1.52 0.00 0.00 41.96 36.78 1ti6 s TYR 817 CO -0.16 -2.63 0.00 -0.85 0.02 0.00 0.00 175.55 171.94 1ti6 n GLU 818 N -2.12 0.68 -1.15 -0.62 -0.00 -0.10 -4.70 120.64 112.63 1ti6 n GLU 818 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.25 1ti6 n GLU 818 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.91 1ti6 n GLU 818 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ti6 n SER 819 N -2.85 -3.98 -4.66 -1.84 7.64 -0.85 -4.15 113.62 102.93 1ti6 n SER 819 Ca 0.00 0.13 -0.46 0.00 1.01 0.00 0.00 58.87 59.55 1ti6 n SER 819 Cb 0.00 -1.94 -0.04 0.00 -1.01 0.00 0.00 64.21 61.22 1ti6 n SER 819 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ti6 n ALA 821 N 3.02 2.84 -2.74 0.00 0.00 -1.26 -4.27 120.51 118.09 1ti6 n ALA 821 Ca 0.16 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1ti6 n ALA 821 Cb 0.28 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1ti6 n ALA 821 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ti6 s VAL 822 N -3.13 4.99 -0.31 0.00 1.01 -1.26 -2.99 120.40 118.71 1ti6 s VAL 822 Ca 0.08 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1ti6 s VAL 822 Cb 0.14 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1ti6 s VAL 822 CO 0.69 0.28 0.06 -0.47 0.00 0.00 0.00 175.10 175.66 1ti6 s TYR 823 N 1.69 3.19 -0.48 5.22 5.04 -1.26 -3.97 117.35 126.78 1ti6 s TYR 823 Ca 0.07 -1.33 0.04 0.00 -2.44 0.00 0.00 57.07 53.41 1ti6 s TYR 823 Cb -0.16 -2.22 0.16 0.00 0.35 0.00 0.00 41.96 40.10 1ti6 s TYR 823 CO 0.08 -0.68 0.35 0.34 -1.34 0.00 0.00 175.55 174.31 1ti6 s ASP 824 N 1.41 2.54 0.38 4.32 2.15 -1.26 -4.79 116.67 121.43 1ti6 s ASP 824 Ca -0.00 -3.13 -0.27 0.00 0.43 0.00 0.00 52.55 49.57 1ti6 s ASP 824 Cb -0.18 -0.76 -0.10 0.00 -0.30 0.00 0.00 42.92 41.58 1ti6 s ASP 824 CO 0.01 -0.17 1.34 -2.84 -0.17 0.00 0.00 175.17 173.34 1ti6 s PRO 825 N -0.18 4.09 0.38 4.34 0.02 -1.26 -1.74 135.00 140.66 1ti6 s PRO 825 Ca 0.28 2.26 0.20 0.00 0.02 0.00 0.00 61.00 63.77 1ti6 s PRO 825 Cb -0.03 -2.88 0.24 0.00 0.02 0.00 0.00 34.50 31.85 1ti6 s PRO 825 CO -0.15 -0.43 1.55 -0.07 -0.33 0.00 0.00 177.00 177.56 1ti6 h LEU 826 N 2.93 0.00 0.00 -5.54 3.38 -0.96 -3.44 115.31 111.68 1ti6 h LEU 826 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ti6 h LEU 826 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ti6 h LEU 826 CO 0.64 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1ti6 n GLY 827 N 1.14 5.49 3.74 0.83 0.00 -1.26 -4.95 105.19 110.20 1ti6 n GLY 827 Ca 0.03 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1ti6 n GLY 827 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti6 s THR 828 N 2.52 2.32 0.27 2.61 2.01 -1.26 -4.43 115.64 119.69 1ti6 s THR 828 Ca 0.00 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 61.96 1ti6 s THR 828 Cb 0.00 -3.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 1ti6 s THR 828 CO 0.00 0.04 1.56 0.00 -0.69 0.00 0.00 174.62 175.53 1ti6 n ALA 829 N 2.51 2.20 -0.38 7.40 0.00 -1.26 -1.40 120.51 129.57 1ti6 n ALA 829 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ti6 n ALA 829 Cb 0.38 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1ti6 n ALA 829 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti6 n GLY 830 N 2.31 1.77 0.00 0.00 0.00 -1.26 -4.75 105.19 103.26 1ti6 n GLY 830 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ti6 n GLY 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ti6 n LYS 831 N -2.00 1.31 -4.20 1.61 5.02 -0.49 -4.81 118.16 114.59 1ti6 n LYS 831 Ca 0.00 -0.96 -0.15 0.00 -2.02 0.00 0.00 58.31 55.18 1ti6 n LYS 831 Cb 0.00 -0.85 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1ti6 n LYS 831 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ti6 s SER 832 N -0.50 0.90 0.48 4.39 1.04 -1.03 -2.22 113.70 116.74 1ti6 s SER 832 Ca 0.00 -1.52 -0.23 0.00 0.48 0.00 0.00 55.95 54.68 1ti6 s SER 832 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 1ti6 s SER 832 CO 0.00 -1.05 1.28 0.00 0.98 0.00 0.00 173.24 174.46 1ti6 s ALA 833 N -3.64 3.00 -0.03 5.32 0.00 -0.35 -4.69 121.76 121.37 1ti6 s ALA 833 Ca 0.37 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1ti6 s ALA 833 Cb 0.03 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1ti6 s ALA 833 CO 0.20 -0.98 -0.03 0.34 0.00 0.00 0.00 175.76 175.29 1ti6 s ASP 834 N -1.02 4.94 0.00 0.00 2.15 -0.71 -0.30 116.67 121.72 1ti6 s ASP 834 Ca 0.65 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.65 1ti6 s ASP 834 Cb -0.36 -1.27 0.05 0.00 -0.30 0.00 0.00 42.92 41.04 1ti6 s ASP 834 CO 0.44 0.31 0.71 -2.11 -0.17 0.00 0.00 175.17 174.35 1ti6 n ARG 835 N 1.70 0.12 -0.11 4.34 1.85 -0.71 -0.18 116.66 123.67 1ti6 n ARG 835 Ca -0.16 -0.91 -0.08 0.00 -1.00 0.00 0.00 57.85 55.70 1ti6 n ARG 835 Cb 0.53 -1.09 0.08 0.00 -1.05 0.00 0.00 32.46 30.93 1ti6 n ARG 835 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1ti6 h GLY 836 N 0.88 0.91 0.00 2.89 0.00 -1.74 -3.42 103.07 102.59 1ti6 h GLY 836 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1ti6 h GLY 836 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1ti6 n GLY 837 N -0.30 1.91 3.55 4.60 0.00 -1.25 -4.41 105.19 109.28 1ti6 n GLY 837 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ti6 n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti6 h ILE 839 N 5.77 0.46 0.00 0.00 1.08 -1.88 -1.46 117.51 121.49 1ti6 h ILE 839 Ca 0.34 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.81 1ti6 h ILE 839 Cb 0.89 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1ti6 h ILE 839 CO 1.37 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 179.42 1ti6 n ASN 840 N -3.81 0.00 0.19 1.72 3.02 -1.26 -1.21 115.26 113.92 1ti6 n ASN 840 Ca 0.03 -0.01 0.04 0.00 -0.03 0.00 0.00 54.58 54.61 1ti6 n ASN 840 Cb 0.40 -0.22 0.39 0.00 -0.61 0.00 0.00 39.78 39.74 1ti6 n ASN 840 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ti6 h ILE 841 N 0.00 1.15 0.00 2.41 2.04 -1.49 -1.22 117.51 120.40 1ti6 h ILE 841 Ca 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1ti6 h ILE 841 Cb 0.09 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1ti6 h ILE 841 CO 0.00 0.34 -0.71 0.18 0.00 0.00 0.00 178.15 177.95 1ti6 n LEU 842 N -3.99 0.70 -4.82 1.44 4.77 -0.35 -4.10 117.00 110.66 1ti6 n LEU 842 Ca -0.02 -0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.43 1ti6 n LEU 842 Cb 0.40 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1ti6 n LEU 842 CO 0.38 0.17 0.64 0.42 -1.33 0.00 0.00 177.39 177.67 1ti6 s THR 843 N -3.01 4.40 0.23 -5.08 -4.23 -1.19 -4.80 115.64 101.96 1ti6 s THR 843 Ca 0.10 1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 61.78 1ti6 s THR 843 Cb 0.17 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.29 1ti6 s THR 843 CO 0.77 -0.28 1.40 -2.16 -0.54 0.00 0.00 174.62 173.81 1ti6 s PRO 844 N -3.10 4.31 0.00 3.99 0.04 -1.26 -0.71 135.00 138.26 1ti6 s PRO 844 Ca 0.61 2.22 0.25 0.00 0.04 0.00 0.00 61.00 64.12 1ti6 s PRO 844 Cb -0.10 -3.14 0.50 0.00 0.04 0.00 0.00 34.50 31.80 1ti6 s PRO 844 CO 0.14 -0.37 1.43 -0.40 0.04 0.00 0.00 177.00 177.84 1ti6 n ASP 845 N 2.49 2.50 -4.74 6.66 3.85 -1.26 -4.53 116.55 121.51 1ti6 n ASP 845 Ca 0.07 -1.83 -0.41 0.00 -0.71 0.00 0.00 54.79 51.91 1ti6 n ASP 845 Cb 0.41 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 40.14 1ti6 n ASP 845 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1ti6 s ARG 846 N -1.97 4.33 0.70 0.11 3.52 -1.26 -4.97 118.95 119.41 1ti6 s ARG 846 Ca 0.32 2.18 -0.16 0.00 -0.13 0.00 0.00 55.73 57.94 1ti6 s ARG 846 Cb 0.20 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1ti6 s ARG 846 CO 0.31 -0.32 1.24 0.71 -0.81 0.00 0.00 175.30 176.43 1ti6 s TYR 847 N -0.05 2.04 0.30 5.12 4.12 -1.26 -4.43 117.35 123.20 1ti6 s TYR 847 Ca 0.57 1.56 0.06 0.00 0.02 0.00 0.00 57.07 59.28 1ti6 s TYR 847 Cb -0.39 -3.57 0.78 0.00 -1.52 0.00 0.00 41.96 37.26 1ti6 s TYR 847 CO 0.42 -2.75 1.73 0.82 0.02 0.00 0.00 175.55 175.79 1ti6 h ILE 848 N 0.03 0.57 -4.02 2.71 2.04 -1.26 -3.44 117.51 114.15 1ti6 h ILE 848 Ca -0.49 -0.19 -0.25 0.00 1.00 0.00 0.00 64.86 64.92 1ti6 h ILE 848 Cb 1.31 -0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1ti6 h ILE 848 CO 0.51 0.10 -0.14 -0.94 0.00 0.00 0.00 178.15 177.68 1ti6 s SER 849 N -5.25 0.85 0.24 1.72 1.04 -1.10 -4.95 113.70 106.24 1ti6 s SER 849 Ca -0.11 -1.46 -0.06 0.00 0.48 0.00 0.00 55.95 54.80 1ti6 s SER 849 Cb 0.26 0.69 0.33 0.00 0.10 0.00 0.00 66.02 67.39 1ti6 s SER 849 CO 0.79 -1.34 1.84 0.50 0.98 0.00 0.00 173.24 176.01 1ti6 h LYS 850 N 2.09 0.87 -0.00 4.02 3.64 -1.92 -3.19 116.57 122.08 1ti6 h LYS 850 Ca -0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1ti6 h LYS 850 Cb 1.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1ti6 h LYS 850 CO 0.39 0.58 -0.50 0.66 -2.27 0.00 0.00 179.45 178.30 1ti6 n TYR 851 N -4.67 0.00 -2.92 1.91 4.01 -1.26 -4.77 117.16 109.47 1ti6 n TYR 851 Ca 0.12 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.42 1ti6 n TYR 851 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1ti6 n TYR 851 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ti6 s ALA 852 N -2.01 3.47 -1.31 -0.72 0.00 -1.21 -4.64 121.76 115.35 1ti6 s ALA 852 Ca 0.04 -2.88 -0.09 0.00 0.00 0.00 0.00 51.96 49.04 1ti6 s ALA 852 Cb 0.08 -4.09 -0.12 0.00 0.00 0.00 0.00 23.12 19.00 1ti6 s ALA 852 CO 0.44 -2.96 3.03 0.00 0.00 0.00 0.00 175.76 176.26 1ti6 s GLY 854 N 2.21 2.49 0.17 0.00 0.00 -1.26 -4.91 107.32 106.01 1ti6 s GLY 854 Ca 0.68 -2.17 -0.25 0.00 0.00 0.00 0.00 44.72 42.97 1ti6 s GLY 854 CO -0.05 -2.07 0.78 -3.16 0.00 0.00 0.00 173.10 168.60 1ti6 s MET 855 N -3.74 4.58 -0.30 2.90 0.23 -1.26 -2.04 119.30 119.67 1ti6 s MET 855 Ca 0.34 1.17 0.07 0.00 -1.03 0.00 0.00 55.69 56.24 1ti6 s MET 855 Cb 0.09 -3.26 0.45 0.00 -1.53 0.00 0.00 34.83 30.58 1ti6 s MET 855 CO 0.17 0.56 1.28 0.00 -2.03 0.00 0.00 175.02 175.00 1ti6 n ALA 856 N 1.62 4.75 -0.25 3.16 0.00 -1.26 -3.89 120.51 124.63 1ti6 n ALA 856 Ca -0.05 -3.61 0.06 0.00 0.00 0.00 0.00 53.44 49.83 1ti6 n ALA 856 Cb 0.49 -0.46 0.18 0.00 0.00 0.00 0.00 19.45 19.66 1ti6 n ALA 856 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ti6 h ASN 857 N 1.80 -0.05 0.00 0.00 4.21 -1.75 -3.14 115.58 116.65 1ti6 h ASN 857 Ca 0.29 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.96 1ti6 h ASN 857 Cb 1.38 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 1ti6 h ASN 857 CO 0.61 -0.07 0.00 0.59 -1.29 0.00 0.00 177.43 177.28 1ti6 n ASN 858 N -5.19 0.02 -3.77 5.81 3.02 -0.46 -4.10 115.26 110.59 1ti6 n ASN 858 Ca 0.14 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.51 1ti6 n ASN 858 Cb 0.47 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.47 1ti6 n ASN 858 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ti6 s THR 859 N -1.95 0.94 -0.06 3.41 -4.23 -1.19 -4.33 115.64 108.24 1ti6 s THR 859 Ca 0.00 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1ti6 s THR 859 Cb 0.00 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.28 1ti6 s THR 859 CO 0.00 -0.51 0.13 0.00 -0.54 0.00 0.00 174.62 173.70 1ti6 s ALA 860 N 1.61 -0.23 -0.10 3.99 0.00 -0.99 -4.62 121.76 121.42 1ti6 s ALA 860 Ca 0.06 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1ti6 s ALA 860 Cb -0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1ti6 s ALA 860 CO -0.19 -0.14 0.42 -0.51 0.00 0.00 0.00 175.76 175.34 1ti6 s LEU 861 N 1.03 4.31 0.29 0.00 1.43 -1.26 -0.20 118.68 124.27 1ti6 s LEU 861 Ca -0.08 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1ti6 s LEU 861 Cb -0.10 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1ti6 s LEU 861 CO -0.05 0.09 0.31 0.68 0.23 0.00 0.00 176.35 177.62 1ti6 s VAL 862 N 0.24 0.00 0.05 -1.59 -7.23 -0.16 -4.77 120.40 106.95 1ti6 s VAL 862 Ca 0.23 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.61 1ti6 s VAL 862 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1ti6 s VAL 862 CO 0.09 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.07 1ti6 s GLU 863 N -3.58 0.68 0.09 4.82 2.56 -0.42 -1.36 118.70 121.49 1ti6 s GLU 863 Ca 0.36 -0.84 0.04 0.00 0.00 0.00 0.00 54.97 54.53 1ti6 s GLU 863 Cb 0.03 -0.58 -0.03 0.00 2.00 0.00 0.00 34.13 35.54 1ti6 s GLU 863 CO 0.19 0.12 -0.11 0.96 -0.56 0.00 0.00 175.26 175.87 1ti6 s ILE 864 N -1.27 0.96 0.15 -3.70 -4.36 -1.26 -1.00 121.20 110.71 1ti6 s ILE 864 Ca -0.05 -1.56 -0.23 0.00 -0.26 0.00 0.00 60.65 58.54 1ti6 s ILE 864 Cb -0.10 -1.28 0.07 0.00 1.25 0.00 0.00 42.46 42.40 1ti6 s ILE 864 CO 0.01 -0.50 0.60 -1.83 0.24 0.00 0.00 174.94 173.47 1ti6 s GLU 865 N -2.57 1.27 0.46 0.37 -1.05 -0.80 -4.98 118.70 111.40 1ti6 s GLU 865 Ca 0.04 -0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 54.17 1ti6 s GLU 865 Cb -0.04 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 34.15 1ti6 s GLU 865 CO 0.01 -0.55 1.39 0.15 0.95 0.00 0.00 175.26 177.21 1ti6 s LYS 866 N -3.65 3.66 -0.05 -4.83 1.02 -1.26 0.48 119.74 115.12 1ti6 s LYS 866 Ca 0.01 2.34 -0.30 0.00 0.02 0.00 0.00 55.97 58.04 1ti6 s LYS 866 Cb -0.01 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1ti6 s LYS 866 CO -0.12 -0.81 1.05 -0.46 -0.92 0.00 0.00 175.35 174.09 1ti6 s TRP 867 N -1.23 3.49 -2.26 3.18 -0.00 -0.61 -4.58 118.94 116.93 1ti6 s TRP 867 Ca 0.62 1.53 0.21 0.00 -0.00 0.00 0.00 56.10 58.46 1ti6 s TRP 867 Cb -0.42 -3.23 0.83 0.00 -0.00 0.00 0.00 33.47 30.65 1ti6 s TRP 867 CO 0.54 -0.45 1.59 -0.40 -0.00 0.00 0.00 176.95 178.23 1ti6 n ASP 868 N 4.63 1.43 0.00 5.86 5.68 -1.26 -4.92 116.55 127.97 1ti6 n ASP 868 Ca 0.08 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1ti6 n ASP 868 Cb 0.49 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1ti6 n ASP 868 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ti6 n GLY 869 N 1.09 0.77 3.84 6.12 0.00 -1.26 -5.06 105.19 110.70 1ti6 n GLY 869 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1ti6 n GLY 869 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ti6 s ASP 870 N -2.99 6.63 0.00 1.61 -1.08 -1.26 -4.97 116.67 114.61 1ti6 s ASP 870 Ca 0.00 1.53 0.25 0.00 -0.52 0.00 0.00 52.55 53.81 1ti6 s ASP 870 Cb 0.00 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.53 1ti6 s ASP 870 CO 0.00 -0.55 1.45 2.29 0.52 0.00 0.00 175.17 178.88 1ti6 n LYS 871 N -1.50 0.01 -3.79 4.34 2.85 -1.26 -4.97 118.16 113.85 1ti6 n LYS 871 Ca 0.06 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.97 1ti6 n LYS 871 Cb 0.54 -1.51 0.03 0.00 -0.65 0.00 0.00 35.03 33.45 1ti6 n LYS 871 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ti6 n TYR 872 N -1.53 -1.79 -2.56 5.58 4.02 -1.26 -1.22 117.16 118.41 1ti6 n TYR 872 Ca 0.06 0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 57.88 1ti6 n TYR 872 Cb 0.34 -3.22 0.00 0.00 -0.02 0.00 0.00 39.34 36.44 1ti6 n TYR 872 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ti6 n GLU 873 N -4.32 3.43 -0.03 -0.72 2.13 -1.26 -3.21 120.64 116.67 1ti6 n GLU 873 Ca -0.11 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.14 1ti6 n GLU 873 Cb 0.58 -3.05 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1ti6 n GLU 873 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1ti6 n ILE 874 N 4.23 0.42 0.70 6.31 -5.35 -0.94 -4.94 119.36 119.78 1ti6 n ILE 874 Ca 0.40 -0.43 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 1ti6 n ILE 874 Cb 0.40 0.76 0.07 0.00 -1.74 0.00 0.00 39.64 39.13 1ti6 n ILE 874 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57