#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk8 s ILE 2 N 0.00 1.44 -0.08 1.12 -4.36 0.00 -1.88 121.20 117.44 1tk8 s ILE 2 Ca 0.00 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.65 1tk8 s ILE 2 Cb 0.00 -1.63 -0.01 0.00 1.25 0.00 0.00 42.46 42.08 1tk8 s ILE 2 CO 0.00 -0.41 -0.23 -0.69 0.24 0.00 0.00 174.94 173.85 1tk8 s VAL 3 N -2.19 2.20 0.23 8.37 1.01 0.34 -0.47 120.40 129.89 1tk8 s VAL 3 Ca 0.11 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1tk8 s VAL 3 Cb -0.05 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1tk8 s VAL 3 CO 0.04 0.56 0.24 -0.55 0.00 0.00 0.00 175.10 175.39 1tk8 s SER 4 N 0.07 0.24 -0.14 3.32 0.15 0.12 -0.59 113.70 116.87 1tk8 s SER 4 Ca -0.10 -1.31 -0.30 0.00 0.70 0.00 0.00 55.95 54.93 1tk8 s SER 4 Cb -0.16 0.45 0.12 0.00 -1.71 0.00 0.00 66.02 64.73 1tk8 s SER 4 CO 0.06 -0.95 0.95 -0.62 1.20 0.00 0.00 173.24 173.88 1tk8 s ASP 5 N -3.15 -0.41 0.27 5.45 2.15 -1.16 -4.37 116.67 115.45 1tk8 s ASP 5 Ca 0.35 0.43 0.05 0.00 0.43 0.00 0.00 52.55 53.81 1tk8 s ASP 5 Cb 0.05 0.33 -0.06 0.00 -0.30 0.00 0.00 42.92 42.94 1tk8 s ASP 5 CO 0.13 -0.38 -0.02 0.27 -0.17 0.00 0.00 175.17 175.00 1tk8 s ILE 6 N -1.19 1.34 -0.07 4.11 -4.36 -1.26 -2.18 121.20 117.60 1tk8 s ILE 6 Ca -0.03 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 1tk8 s ILE 6 Cb -0.00 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1tk8 s ILE 6 CO 0.02 -0.25 -0.12 -1.61 0.24 0.00 0.00 174.94 173.22 1tk8 s GLU 7 N -3.81 1.68 0.34 0.37 0.41 0.46 -4.97 118.70 113.19 1tk8 s GLU 7 Ca 0.30 -0.41 0.04 0.00 -0.41 0.00 0.00 54.97 54.50 1tk8 s GLU 7 Cb 0.05 -1.40 -0.03 0.00 -1.78 0.00 0.00 34.13 30.97 1tk8 s GLU 7 CO 0.11 0.02 0.16 0.00 -0.49 0.00 0.00 175.26 175.06 1tk8 s ALA 8 N 0.68 2.28 -1.39 5.21 0.00 -1.26 -0.17 121.76 127.11 1tk8 s ALA 8 Ca -0.14 -1.64 0.30 0.00 0.00 0.00 0.00 51.96 50.47 1tk8 s ALA 8 Cb -0.16 1.04 1.46 0.00 0.00 0.00 0.00 23.12 25.46 1tk8 s ALA 8 CO 0.04 -0.46 2.02 0.27 0.00 0.00 0.00 175.76 177.63 1tk8 n ASN 9 N -1.12 0.04 -3.45 0.00 6.94 -0.38 -4.83 115.26 112.46 1tk8 n ASN 9 Ca -0.01 -0.10 -0.03 0.00 -0.02 0.00 0.00 54.58 54.43 1tk8 n ASN 9 Cb 0.65 -0.29 0.01 0.00 -2.36 0.00 0.00 39.78 37.79 1tk8 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tk8 s ALA 10 N -2.62 -1.68 0.85 -2.53 0.00 -1.26 -4.71 121.76 109.81 1tk8 s ALA 10 Ca 0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 1tk8 s ALA 10 Cb 0.20 0.74 0.10 0.00 0.00 0.00 0.00 23.12 24.16 1tk8 s ALA 10 CO 0.47 -1.07 1.09 -0.51 0.00 0.00 0.00 175.76 175.75 1tk8 s LEU 11 N -3.35 2.62 0.29 0.00 1.43 -1.26 -4.46 118.68 113.94 1tk8 s LEU 11 Ca 0.21 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 1tk8 s LEU 11 Cb -0.02 -4.21 0.72 0.00 0.03 0.00 0.00 46.19 42.70 1tk8 s LEU 11 CO 0.04 -2.41 1.63 0.25 0.23 0.00 0.00 176.35 176.09 1tk8 h LEU 12 N -1.39 -0.08 -1.02 1.79 5.85 -1.94 -0.55 115.31 117.96 1tk8 h LEU 12 Ca -0.47 0.21 0.25 0.00 0.84 0.00 0.00 57.88 58.71 1tk8 h LEU 12 Cb 1.26 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 42.47 1tk8 h LEU 12 CO 0.52 -0.20 0.60 -0.33 -0.34 0.00 0.00 178.44 178.70 1tk8 h GLU 13 N 0.16 0.56 0.00 1.25 3.07 -2.00 -3.13 114.58 114.49 1tk8 h GLU 13 Ca 0.56 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.35 1tk8 h GLU 13 Cb 1.14 -0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.84 1tk8 h GLU 13 CO -0.70 0.37 -0.49 -1.13 -1.40 0.00 0.00 179.01 175.66 1tk8 n SER 14 N -4.87 0.90 -4.74 1.42 3.41 -0.67 -5.07 113.62 104.00 1tk8 n SER 14 Ca 0.27 -2.43 -0.41 0.00 -0.26 0.00 0.00 58.87 56.03 1tk8 n SER 14 Cb 0.75 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1tk8 n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tk8 s VAL 15 N -0.97 2.96 0.00 -3.33 0.11 -0.30 -4.78 120.40 114.08 1tk8 s VAL 15 Ca 0.18 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 1tk8 s VAL 15 Cb 0.18 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1tk8 s VAL 15 CO -0.03 0.12 0.09 0.35 -3.33 0.00 0.00 175.10 172.29 1tk8 n THR 16 N 2.58 0.00 -3.74 5.04 -2.24 -1.26 -4.87 114.28 109.79 1tk8 n THR 16 Ca 0.07 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1tk8 n THR 16 Cb 0.41 1.43 -0.14 0.00 -2.10 0.00 0.00 70.33 69.94 1tk8 n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tk8 s LYS 17 N -0.11 0.14 -0.12 -0.78 1.02 -1.26 -4.80 119.74 113.83 1tk8 s LYS 17 Ca 0.00 0.43 -0.24 0.00 0.02 0.00 0.00 55.97 56.18 1tk8 s LYS 17 Cb 0.00 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 1tk8 s LYS 17 CO 0.00 -0.16 0.74 0.12 -0.92 0.00 0.00 175.35 175.13 1tk8 s PHE 18 N 1.14 3.49 -0.21 3.18 5.36 -1.26 -1.25 117.98 128.44 1tk8 s PHE 18 Ca -0.09 1.20 -0.17 0.00 -0.96 0.00 0.00 56.93 56.92 1tk8 s PHE 18 Cb -0.10 -2.88 -0.13 0.00 -0.34 0.00 0.00 43.02 39.57 1tk8 s PHE 18 CO -0.07 -0.07 -0.06 0.72 -1.46 0.00 0.00 175.22 174.29 1tk8 n HIS 19 N 4.47 0.66 -3.82 10.12 8.25 0.76 -4.65 115.22 131.02 1tk8 n HIS 19 Ca 0.01 0.29 -0.05 0.00 -0.26 0.00 0.00 57.72 57.70 1tk8 n HIS 19 Cb 0.50 -0.94 -0.00 0.00 1.12 0.00 0.00 29.99 30.67 1tk8 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tk8 s GLY 21 N -3.03 -0.43 0.04 0.00 0.00 -0.61 -0.41 107.32 102.88 1tk8 s GLY 21 Ca 0.14 0.69 0.05 0.00 0.00 0.00 0.00 44.72 45.60 1tk8 s GLY 21 CO 0.06 0.39 -0.14 0.14 0.00 0.00 0.00 173.10 173.55 1tk8 s VAL 22 N -2.18 1.14 -0.04 1.40 1.01 -0.93 -0.26 120.40 120.55 1tk8 s VAL 22 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1tk8 s VAL 22 Cb -0.01 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1tk8 s VAL 22 CO 0.00 0.04 -0.06 -0.63 0.00 0.00 0.00 175.10 174.45 1tk8 s ILE 23 N -0.81 0.61 -0.22 2.22 1.01 0.04 -3.01 121.20 121.04 1tk8 s ILE 23 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1tk8 s ILE 23 Cb -0.08 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.78 1tk8 s ILE 23 CO 0.01 0.23 -0.05 -0.47 0.00 0.00 0.00 174.94 174.66 1tk8 s TYR 24 N 0.74 2.95 -0.26 3.97 5.04 0.24 -0.40 117.35 129.63 1tk8 s TYR 24 Ca -0.11 -0.97 -0.08 0.00 -2.44 0.00 0.00 57.07 53.48 1tk8 s TYR 24 Cb -0.13 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.06 1tk8 s TYR 24 CO 0.01 -0.56 0.08 0.34 -1.34 0.00 0.00 175.55 174.08 1tk8 s ASP 25 N 1.46 5.17 0.38 4.32 -1.08 -0.99 -0.51 116.67 125.42 1tk8 s ASP 25 Ca 0.06 -0.30 0.05 0.00 -0.52 0.00 0.00 52.55 51.84 1tk8 s ASP 25 Cb -0.14 -1.93 0.76 0.00 -1.46 0.00 0.00 42.92 40.15 1tk8 s ASP 25 CO -0.04 -0.07 2.02 1.88 0.52 0.00 0.00 175.17 179.48 1tk8 h TYR 26 N 8.25 0.67 0.00 -5.34 0.05 -1.72 0.58 116.97 119.46 1tk8 h TYR 26 Ca -0.37 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.40 1tk8 h TYR 26 Cb 1.17 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 1tk8 h TYR 26 CO 0.66 0.40 -0.11 0.66 -1.05 0.00 0.00 178.16 178.73 1tk8 h SER 27 N 0.70 0.00 0.00 3.88 4.64 -1.92 -3.12 113.55 117.73 1tk8 h SER 27 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1tk8 h SER 27 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1tk8 h SER 27 CO -0.05 0.11 -1.41 0.35 -0.87 0.00 0.00 176.83 174.95 1tk8 n THR 28 N -3.49 0.06 -1.89 2.95 -2.24 -0.84 -5.01 114.28 103.81 1tk8 n THR 28 Ca -0.01 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1tk8 n THR 28 Cb 0.25 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1tk8 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tk8 n ALA 29 N -1.85 -0.33 -2.47 6.98 0.00 0.20 -5.00 120.51 118.04 1tk8 n ALA 29 Ca -0.03 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 1tk8 n ALA 29 Cb 0.28 -1.61 -0.11 0.00 0.00 0.00 0.00 19.45 18.00 1tk8 n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tk8 s GLU 30 N -4.04 1.21 -0.08 0.00 2.02 -1.23 -4.96 118.70 111.63 1tk8 s GLU 30 Ca 0.00 -1.35 -0.05 0.00 0.02 0.00 0.00 54.97 53.59 1tk8 s GLU 30 Cb 0.00 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.92 1tk8 s GLU 30 CO 0.00 0.26 0.15 0.71 0.02 0.00 0.00 175.26 176.40 1tk8 s TYR 31 N -1.95 3.55 -0.06 1.61 1.51 -1.26 -2.36 117.35 118.40 1tk8 s TYR 31 Ca 0.13 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.66 1tk8 s TYR 31 Cb -0.06 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1tk8 s TYR 31 CO 0.06 0.69 -0.10 0.08 -1.11 0.00 0.00 175.55 175.17 1tk8 s VAL 32 N -1.13 0.94 -0.08 0.71 1.01 0.46 -4.96 120.40 117.35 1tk8 s VAL 32 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1tk8 s VAL 32 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1tk8 s VAL 32 CO 0.09 0.31 0.10 -0.44 0.00 0.00 0.00 175.10 175.17 1tk8 s SER 33 N 0.70 6.01 -0.12 3.32 0.01 -1.26 -0.78 113.70 121.57 1tk8 s SER 33 Ca -0.13 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.48 1tk8 s SER 33 Cb -0.15 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.24 1tk8 s SER 33 CO 0.03 0.37 -0.20 -0.31 0.41 0.00 0.00 173.24 173.53 1tk8 s TYR 34 N -1.05 2.41 0.55 2.43 1.51 0.65 -5.00 117.35 118.84 1tk8 s TYR 34 Ca 0.17 -1.15 0.05 0.00 -1.01 0.00 0.00 57.07 55.13 1tk8 s TYR 34 Cb -0.12 -1.66 0.06 0.00 -0.11 0.00 0.00 41.96 40.13 1tk8 s TYR 34 CO 0.07 -0.53 0.76 1.03 -1.11 0.00 0.00 175.55 175.77 1tk8 s ARG 35 N 0.78 2.38 0.47 -0.62 0.52 -1.26 -1.57 118.95 119.64 1tk8 s ARG 35 Ca -0.09 -1.23 0.33 0.00 -0.52 0.00 0.00 55.73 54.22 1tk8 s ARG 35 Cb -0.16 -2.58 1.47 0.00 0.52 0.00 0.00 34.95 34.20 1tk8 s ARG 35 CO 0.00 -0.78 1.64 -1.00 0.02 0.00 0.00 175.30 175.19 1tk8 h PRO 36 N 0.15 0.08 -0.01 3.54 0.13 -1.26 0.66 132.00 135.29 1tk8 h PRO 36 Ca -0.37 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1tk8 h PRO 36 Cb 1.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1tk8 h PRO 36 CO 0.44 0.06 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.11 1tk8 n SER 37 N -4.51 1.05 -1.12 1.44 3.41 -1.26 -3.59 113.62 109.04 1tk8 n SER 37 Ca 0.36 -1.26 0.11 0.00 -0.26 0.00 0.00 58.87 57.83 1tk8 n SER 37 Cb 1.47 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 65.65 1tk8 n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tk8 n ASP 38 N -0.25 3.47 -0.20 4.04 8.00 0.23 -4.60 116.55 127.24 1tk8 n ASP 38 Ca 0.19 -1.97 -0.00 0.00 0.71 0.00 0.00 54.79 53.72 1tk8 n ASP 38 Cb 0.30 -0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 1tk8 n ASP 38 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1tk8 h PHE 39 N 4.11 -0.14 -0.52 1.24 3.57 -1.61 0.32 116.94 123.92 1tk8 h PHE 39 Ca 0.00 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1tk8 h PHE 39 Cb 0.94 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 1tk8 h PHE 39 CO 0.29 -0.19 0.21 0.78 -2.23 0.00 0.00 178.31 177.17 1tk8 h GLY 40 N 0.07 0.70 1.14 2.40 0.00 -1.89 -1.04 103.07 104.46 1tk8 h GLY 40 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1tk8 h GLY 40 CO -0.55 0.04 0.16 0.00 0.00 0.00 0.00 176.54 176.19 1tk8 h ALA 41 N 1.33 1.02 -0.08 3.60 0.00 -1.38 -0.93 119.26 122.81 1tk8 h ALA 41 Ca 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tk8 h ALA 41 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1tk8 h ALA 41 CO -0.22 0.64 -0.01 -0.92 0.00 0.00 0.00 179.25 178.74 1tk8 h TYR 42 N 1.01 -0.02 -0.63 0.00 3.20 0.40 -1.19 116.97 119.74 1tk8 h TYR 42 Ca 0.21 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1tk8 h TYR 42 Cb 0.36 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1tk8 h TYR 42 CO 0.03 -0.02 0.23 -0.07 -1.64 0.00 0.00 178.16 176.69 1tk8 h LEU 43 N 0.02 0.86 -1.10 2.82 3.38 -1.00 -2.26 115.31 118.04 1tk8 h LEU 43 Ca 0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1tk8 h LEU 43 Cb 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1tk8 h LEU 43 CO -0.07 0.79 0.51 0.44 0.09 0.00 0.00 178.44 180.19 1tk8 h ASP 44 N 0.92 0.99 -0.50 -0.43 3.32 -0.63 -1.36 116.42 118.73 1tk8 h ASP 44 Ca 0.21 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1tk8 h ASP 44 Cb 0.21 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1tk8 h ASP 44 CO -0.02 0.75 -0.08 0.00 -1.72 0.00 0.00 179.24 178.17 1tk8 h ALA 45 N 1.42 0.85 -0.53 3.45 0.00 -0.67 -0.83 119.26 122.95 1tk8 h ALA 45 Ca 0.30 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1tk8 h ALA 45 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1tk8 h ALA 45 CO -0.06 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.64 1tk8 h LEU 46 N 0.87 1.03 -1.15 0.00 3.38 -0.97 -2.56 115.31 115.91 1tk8 h LEU 46 Ca 0.14 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1tk8 h LEU 46 Cb 0.63 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1tk8 h LEU 46 CO 0.04 1.15 -0.42 -0.33 0.09 0.00 0.00 178.44 178.98 1tk8 h GLU 47 N 0.90 0.00 -0.44 1.13 5.08 -1.07 -2.27 114.58 117.91 1tk8 h GLU 47 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1tk8 h GLU 47 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1tk8 h GLU 47 CO 0.05 0.42 -0.10 0.00 -1.00 0.00 0.00 179.01 178.38 1tk8 h ALA 48 N 1.58 1.00 -0.29 3.43 0.00 -0.86 0.56 119.26 124.69 1tk8 h ALA 48 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1tk8 h ALA 48 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1tk8 h ALA 48 CO 0.05 0.60 -0.31 1.49 0.00 0.00 0.00 179.25 181.08 1tk8 h GLU 49 N 0.71 0.60 -0.41 0.00 4.57 -1.10 -2.31 114.58 116.64 1tk8 h GLU 49 Ca 0.12 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1tk8 h GLU 49 Cb 0.58 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1tk8 h GLU 49 CO 0.04 0.84 -0.15 0.28 -1.18 0.00 0.00 179.01 178.84 1tk8 h VAL 50 N 0.51 1.28 0.00 0.32 2.07 -0.90 0.16 116.25 119.69 1tk8 h VAL 50 Ca 0.06 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1tk8 h VAL 50 Cb 0.79 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1tk8 h VAL 50 CO 0.06 0.43 -0.16 0.00 0.02 0.00 0.00 177.57 177.92 1tk8 h ALA 51 N 0.83 1.54 -0.18 1.67 0.00 -0.67 -1.47 119.26 120.99 1tk8 h ALA 51 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tk8 h ALA 51 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tk8 h ALA 51 CO 0.05 0.20 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1tk8 n ARG 52 N -4.07 1.43 -1.78 0.00 1.74 -0.89 -4.86 116.66 108.24 1tk8 n ARG 52 Ca -0.02 -0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 56.25 1tk8 n ARG 52 Cb 0.24 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1tk8 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tk8 n GLY 53 N 0.82 0.69 0.00 -0.13 0.00 -0.55 -5.00 105.19 101.02 1tk8 n GLY 53 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1tk8 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk8 n GLY 54 N -1.19 0.06 3.13 -0.02 0.00 0.03 -2.04 105.19 105.15 1tk8 n GLY 54 Ca -0.15 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 1tk8 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk8 s LEU 55 N 0.00 2.17 -0.14 0.99 1.43 -1.26 -4.30 118.68 117.57 1tk8 s LEU 55 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1tk8 s LEU 55 Cb 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.67 1tk8 s LEU 55 CO 0.00 0.02 -0.19 -0.63 0.23 0.00 0.00 176.35 175.78 1tk8 s ILE 56 N -0.84 1.86 -0.18 -0.59 1.01 0.20 -0.82 121.20 121.84 1tk8 s ILE 56 Ca 0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1tk8 s ILE 56 Cb -0.08 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1tk8 s ILE 56 CO 0.01 0.51 0.01 -0.69 0.00 0.00 0.00 174.94 174.78 1tk8 s VAL 57 N 1.00 4.16 0.37 2.92 1.01 0.38 -0.77 120.40 129.46 1tk8 s VAL 57 Ca -0.04 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1tk8 s VAL 57 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1tk8 s VAL 57 CO -0.04 0.45 0.06 -0.36 0.00 0.00 0.00 175.10 175.21 1tk8 s PHE 58 N 0.66 2.01 -0.32 5.22 0.08 -0.51 -0.70 117.98 124.42 1tk8 s PHE 58 Ca 0.00 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.11 1tk8 s PHE 58 Cb -0.14 -1.37 0.08 0.00 -0.57 0.00 0.00 43.02 41.02 1tk8 s PHE 58 CO 0.02 0.05 0.00 -1.58 -0.10 0.00 0.00 175.22 173.61 1tk8 s HIS 59 N -3.14 3.56 -0.33 0.36 5.65 -1.26 -1.32 115.29 118.80 1tk8 s HIS 59 Ca 0.31 -2.68 0.00 0.00 0.25 0.00 0.00 55.06 52.94 1tk8 s HIS 59 Cb 0.07 -2.57 0.00 0.00 -1.18 0.00 0.00 32.58 28.91 1tk8 s HIS 59 CO 0.15 -0.92 0.00 -1.71 -0.65 0.00 0.00 174.74 171.61 1tk8 n ASN 60 N 4.36 -1.99 0.12 9.88 5.15 -1.26 -4.92 115.26 126.60 1tk8 n ASN 60 Ca -0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.92 1tk8 n ASN 60 Cb 0.42 -1.30 0.11 0.00 -0.53 0.00 0.00 39.78 38.48 1tk8 n ASN 60 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk8 h GLY 61 N 0.00 0.00 0.95 8.20 0.00 -1.89 -1.42 103.07 108.91 1tk8 h GLY 61 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1tk8 h GLY 61 CO 0.11 0.00 0.58 0.45 0.00 0.00 0.00 176.54 177.68 1tk8 h HIS 62 N 0.00 1.10 0.00 5.60 3.86 -1.91 -1.06 115.15 122.74 1tk8 h HIS 62 Ca -0.01 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.93 1tk8 h HIS 62 Cb 1.22 -0.37 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 1tk8 h HIS 62 CO 0.00 0.66 -1.86 1.63 0.86 0.00 0.00 177.93 179.22 1tk8 n LYS 63 N -4.50 0.65 0.00 2.45 5.02 -1.21 -4.62 118.16 115.95 1tk8 n LYS 63 Ca 0.10 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1tk8 n LYS 63 Cb 0.05 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1tk8 n LYS 63 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1tk8 n TYR 64 N -2.96 0.00 -0.34 2.13 9.36 -0.54 -4.74 117.16 120.07 1tk8 n TYR 64 Ca -0.20 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 60.93 1tk8 n TYR 64 Cb 1.06 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.71 1tk8 n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1tk8 h ASP 65 N 0.00 -1.88 0.38 2.98 5.19 -1.65 0.14 116.42 121.59 1tk8 h ASP 65 Ca 0.00 0.30 -0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1tk8 h ASP 65 Cb 0.00 0.85 -0.03 0.00 0.18 0.00 0.00 39.33 40.33 1tk8 h ASP 65 CO 0.00 -0.28 -0.41 0.58 -3.12 0.00 0.00 179.24 176.01 1tk8 h VAL 66 N -0.09 0.17 -0.96 -1.35 2.07 -1.49 0.14 116.25 114.73 1tk8 h VAL 66 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1tk8 h VAL 66 Cb 0.50 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1tk8 h VAL 66 CO -0.86 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 176.69 1tk8 h PRO 67 N -0.82 1.28 -0.56 1.57 0.11 -1.69 -1.91 132.00 129.99 1tk8 h PRO 67 Ca -0.03 -0.09 0.05 0.00 0.11 0.00 0.00 66.00 66.03 1tk8 h PRO 67 Cb 0.74 -0.28 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 1tk8 h PRO 67 CO -0.08 0.87 0.29 0.00 -0.21 0.00 0.00 178.00 178.87 1tk8 h ALA 68 N 1.36 0.72 -0.70 -0.75 0.00 -0.29 -1.00 119.26 118.60 1tk8 h ALA 68 Ca 0.35 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1tk8 h ALA 68 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1tk8 h ALA 68 CO -0.07 -0.04 0.19 -0.07 0.00 0.00 0.00 179.25 179.26 1tk8 h LEU 69 N 0.57 1.04 -0.56 0.00 3.38 -0.22 0.18 115.31 119.70 1tk8 h LEU 69 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1tk8 h LEU 69 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1tk8 h LEU 69 CO -0.16 0.99 0.37 0.74 0.09 0.00 0.00 178.44 180.47 1tk8 h THR 70 N 1.04 1.15 -0.07 0.22 2.02 -0.76 -0.28 112.91 116.23 1tk8 h THR 70 Ca 0.22 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1tk8 h THR 70 Cb 0.34 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1tk8 h THR 70 CO -0.00 0.15 -0.05 0.50 0.37 0.00 0.00 175.52 176.48 1tk8 h LYS 71 N 0.76 0.17 -0.47 6.66 3.64 -0.81 -2.98 116.57 123.54 1tk8 h LYS 71 Ca 0.21 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1tk8 h LYS 71 Cb -0.08 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1tk8 h LYS 71 CO -0.04 0.57 0.02 -0.07 -2.27 0.00 0.00 179.45 177.66 1tk8 h LEU 72 N -0.24 0.73 -1.40 5.20 3.38 -0.58 -1.68 115.31 120.73 1tk8 h LEU 72 Ca 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1tk8 h LEU 72 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1tk8 h LEU 72 CO 0.01 0.79 0.04 0.00 0.09 0.00 0.00 178.44 179.38 1tk8 h ALA 73 N 1.30 1.52 -0.01 1.53 0.00 -1.08 0.23 119.26 122.75 1tk8 h ALA 73 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1tk8 h ALA 73 Cb 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1tk8 h ALA 73 CO 0.02 0.36 -0.04 -0.22 0.00 0.00 0.00 179.25 179.37 1tk8 h LYS 74 N 0.44 0.04 0.02 0.00 1.63 -1.27 0.96 116.57 118.38 1tk8 h LYS 74 Ca 0.10 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1tk8 h LYS 74 Cb 0.22 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1tk8 h LYS 74 CO 0.00 0.70 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.62 1tk8 h LEU 75 N -0.62 -0.03 0.18 5.20 3.38 -1.04 -1.39 115.31 121.00 1tk8 h LEU 75 Ca -0.00 -0.30 -0.25 0.00 0.09 0.00 0.00 57.88 57.42 1tk8 h LEU 75 Cb 0.71 0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.49 1tk8 h LEU 75 CO 0.01 0.29 -1.11 1.56 0.09 0.00 0.00 178.44 179.28 1tk8 h GLN 76 N -0.34 0.39 -0.01 1.13 4.20 -0.69 -3.39 115.11 116.39 1tk8 h GLN 76 Ca -0.00 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.05 1tk8 h GLN 76 Cb 0.32 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1tk8 h GLN 76 CO 0.01 1.32 -0.21 1.28 -0.67 0.00 0.00 178.83 180.55 1tk8 n LEU 77 N -3.96 1.31 -3.74 1.46 4.77 -0.92 -4.99 117.00 110.94 1tk8 n LEU 77 Ca -0.16 -0.78 -0.24 0.00 -0.03 0.00 0.00 56.01 54.80 1tk8 n LEU 77 Cb 0.93 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.07 1tk8 n LEU 77 CO 0.53 0.26 0.05 -3.20 -1.33 0.00 0.00 177.39 173.69 1tk8 n ASN 78 N -0.18 -3.11 -4.34 -1.43 5.15 -0.23 -4.96 115.26 106.16 1tk8 n ASN 78 Ca 0.05 -0.75 -0.30 0.00 -0.60 0.00 0.00 54.58 52.97 1tk8 n ASN 78 Cb 0.23 -4.22 -0.15 0.00 -0.53 0.00 0.00 39.78 35.11 1tk8 n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1tk8 s ARG 79 N -6.18 1.78 -0.17 1.20 3.52 0.17 -4.94 118.95 114.33 1tk8 s ARG 79 Ca 0.30 -1.11 -0.21 0.00 -0.13 0.00 0.00 55.73 54.58 1tk8 s ARG 79 Cb -0.14 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1tk8 s ARG 79 CO 0.80 0.51 0.63 -1.21 -0.81 0.00 0.00 175.30 175.22 1tk8 s GLU 80 N -1.24 4.27 -0.05 5.12 0.41 -1.26 -2.87 118.70 123.07 1tk8 s GLU 80 Ca 0.12 0.65 -0.01 0.00 -0.41 0.00 0.00 54.97 55.32 1tk8 s GLU 80 Cb -0.10 -3.54 0.03 0.00 -1.78 0.00 0.00 34.13 28.74 1tk8 s GLU 80 CO 0.02 -0.15 0.03 0.12 -0.49 0.00 0.00 175.26 174.79 1tk8 s PHE 81 N 1.60 0.31 -0.35 1.61 5.36 -1.26 -5.06 117.98 120.19 1tk8 s PHE 81 Ca 0.30 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.36 1tk8 s PHE 81 Cb -0.16 -0.59 0.15 0.00 -0.34 0.00 0.00 43.02 42.08 1tk8 s PHE 81 CO 0.12 -0.23 0.31 -1.01 -1.46 0.00 0.00 175.22 172.95 1tk8 s HIS 82 N 1.94 -0.09 0.23 10.12 3.76 -1.26 -4.30 115.29 125.69 1tk8 s HIS 82 Ca 0.03 -0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 53.77 1tk8 s HIS 82 Cb -0.12 -0.54 -0.10 0.00 1.11 0.00 0.00 32.58 32.92 1tk8 s HIS 82 CO -0.04 -0.93 1.50 -0.51 -0.85 0.00 0.00 174.74 173.91 1tk8 s LEU 83 N 1.57 4.38 0.44 0.89 1.43 -1.26 -4.94 118.68 121.18 1tk8 s LEU 83 Ca 0.15 2.68 -0.24 0.00 -1.03 0.00 0.00 54.13 55.70 1tk8 s LEU 83 Cb -0.17 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 1tk8 s LEU 83 CO -0.10 -0.76 1.17 -2.84 0.23 0.00 0.00 176.35 174.04 1tk8 s PRO 84 N 0.07 3.87 0.21 1.29 0.02 -1.26 -4.94 135.00 134.25 1tk8 s PRO 84 Ca 0.63 1.79 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 1tk8 s PRO 84 Cb -0.43 -2.50 0.23 0.00 0.02 0.00 0.00 34.50 31.82 1tk8 s PRO 84 CO 0.40 -0.46 1.80 -0.09 -0.33 0.00 0.00 177.00 178.32 1tk8 h ARG 85 N 2.26 0.65 0.00 5.54 2.43 -1.96 -2.55 114.38 120.76 1tk8 h ARG 85 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1tk8 h ARG 85 Cb 1.24 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1tk8 h ARG 85 CO 0.61 0.43 0.00 -0.85 -1.51 0.00 0.00 179.97 178.65 1tk8 n GLU 86 N -4.80 0.10 0.00 0.20 0.00 -1.26 -1.73 120.64 113.14 1tk8 n GLU 86 Ca 0.08 0.51 0.11 0.00 0.00 0.00 0.00 57.16 57.86 1tk8 n GLU 86 Cb 0.17 -1.76 0.05 0.00 0.00 0.00 0.00 31.44 29.90 1tk8 n GLU 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1tk8 n ASN 87 N -1.96 2.06 -4.68 -1.84 4.13 -0.96 -4.85 115.26 107.16 1tk8 n ASN 87 Ca 0.00 -1.52 -0.35 0.00 1.68 0.00 0.00 54.58 54.39 1tk8 n ASN 87 Cb 0.08 0.38 -0.09 0.00 -1.54 0.00 0.00 39.78 38.61 1tk8 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tk8 s ILE 89 N -0.71 1.80 -0.20 0.00 1.01 0.05 -4.95 121.20 118.19 1tk8 s ILE 89 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1tk8 s ILE 89 Cb -0.12 -1.50 0.04 0.00 0.01 0.00 0.00 42.46 40.89 1tk8 s ILE 89 CO 0.02 0.47 -0.11 -0.62 0.00 0.00 0.00 174.94 174.70 1tk8 s ASP 90 N -0.64 3.40 0.54 3.58 -1.08 -1.26 -1.43 116.67 119.78 1tk8 s ASP 90 Ca 0.09 -0.88 0.31 0.00 -0.52 0.00 0.00 52.55 51.54 1tk8 s ASP 90 Cb -0.09 -1.26 1.53 0.00 -1.46 0.00 0.00 42.92 41.64 1tk8 s ASP 90 CO -0.00 -0.13 2.08 0.71 0.52 0.00 0.00 175.17 178.34 1tk8 h THR 91 N 6.37 0.39 -0.13 1.71 1.35 -1.58 -1.25 112.91 119.77 1tk8 h THR 91 Ca -0.29 -0.50 -0.22 0.00 -0.55 0.00 0.00 66.41 64.85 1tk8 h THR 91 Cb 1.10 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1tk8 h THR 91 CO 0.49 0.09 -0.80 0.25 -0.25 0.00 0.00 175.52 175.30 1tk8 h LEU 92 N 0.00 0.93 -0.43 3.87 5.85 -1.91 0.11 115.31 123.72 1tk8 h LEU 92 Ca -0.00 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 1tk8 h LEU 92 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1tk8 h LEU 92 CO 0.01 1.43 0.12 0.58 -0.34 0.00 0.00 178.44 180.24 1tk8 h VAL 93 N 0.50 1.22 -0.39 1.05 2.07 -1.79 -0.43 116.25 118.48 1tk8 h VAL 93 Ca -0.06 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1tk8 h VAL 93 Cb 1.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1tk8 h VAL 93 CO 0.16 0.27 0.19 -0.07 0.02 0.00 0.00 177.57 178.14 1tk8 h LEU 94 N 0.55 0.51 -1.32 2.57 3.38 -1.20 -2.23 115.31 117.58 1tk8 h LEU 94 Ca 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1tk8 h LEU 94 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1tk8 h LEU 94 CO -0.00 0.49 0.21 -1.28 0.09 0.00 0.00 178.44 177.95 1tk8 h SER 95 N 0.50 0.61 1.61 -0.43 0.87 -0.56 -0.18 113.55 115.95 1tk8 h SER 95 Ca 0.14 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1tk8 h SER 95 Cb 0.11 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1tk8 h SER 95 CO -0.02 0.54 0.00 0.03 -0.53 0.00 0.00 176.83 176.85 1tk8 h ARG 96 N 0.68 0.00 0.00 2.24 3.08 -0.80 -1.04 114.38 118.53 1tk8 h ARG 96 Ca 0.17 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1tk8 h ARG 96 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1tk8 h ARG 96 CO -0.02 0.00 -0.37 1.25 -1.07 0.00 0.00 179.97 179.76 1tk8 h LEU 97 N 0.00 0.00 -0.92 3.04 5.85 -0.67 -3.16 115.31 119.45 1tk8 h LEU 97 Ca 0.00 -0.47 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1tk8 h LEU 97 Cb 0.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1tk8 h LEU 97 CO 0.00 0.95 -0.42 0.40 -0.34 0.00 0.00 178.44 179.02 1tk8 h ILE 98 N -1.00 1.31 -1.55 4.05 2.04 -1.14 -3.15 117.51 118.08 1tk8 h ILE 98 Ca -0.08 -1.55 -0.63 0.00 1.00 0.00 0.00 64.86 63.61 1tk8 h ILE 98 Cb 0.73 1.70 -0.39 0.00 -0.74 0.00 0.00 36.82 38.13 1tk8 h ILE 98 CO -0.05 0.46 -0.34 1.41 0.00 0.00 0.00 178.15 179.64 1tk8 n HIS 99 N -4.02 3.28 0.32 1.37 8.25 -0.40 -4.80 115.22 119.23 1tk8 n HIS 99 Ca -0.02 -2.89 0.21 0.00 -0.26 0.00 0.00 57.72 54.76 1tk8 n HIS 99 Cb 0.49 -0.35 1.09 0.00 1.12 0.00 0.00 29.99 32.33 1tk8 n HIS 99 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1tk8 h SER 100 N 2.62 0.00 1.47 0.41 4.64 -1.50 -1.45 113.55 119.74 1tk8 h SER 100 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1tk8 h SER 100 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1tk8 h SER 100 CO 0.98 0.01 0.00 -0.55 -0.87 0.00 0.00 176.83 176.40 1tk8 h ASN 101 N 0.00 0.00 -2.17 4.97 -1.07 -1.88 -3.35 115.58 112.08 1tk8 h ASN 101 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 56.30 55.93 1tk8 h ASN 101 Cb 0.10 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.38 1tk8 h ASN 101 CO 0.00 0.00 -0.19 -0.76 0.07 0.00 0.00 177.43 176.55 1tk8 s LEU 102 N -5.82 3.69 0.47 6.14 1.43 -0.55 -5.00 118.68 119.05 1tk8 s LEU 102 Ca 0.05 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1tk8 s LEU 102 Cb 0.08 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1tk8 s LEU 102 CO 0.59 -0.70 0.48 -0.54 0.23 0.00 0.00 176.35 176.41 1tk8 s LYS 103 N -4.43 2.47 0.11 1.70 -0.14 -1.26 -5.02 119.74 113.17 1tk8 s LYS 103 Ca 0.50 -1.63 -0.19 0.00 -1.36 0.00 0.00 55.97 53.30 1tk8 s LYS 103 Cb -0.10 -2.41 0.05 0.00 -1.68 0.00 0.00 37.83 33.68 1tk8 s LYS 103 CO 0.35 -0.42 0.46 0.16 -0.76 0.00 0.00 175.35 175.14 1tk8 s ASP 104 N -4.29 -0.34 0.00 2.83 1.47 -1.26 -4.69 116.67 110.39 1tk8 s ASP 104 Ca 0.48 -0.14 0.12 0.00 1.18 0.00 0.00 52.55 54.19 1tk8 s ASP 104 Cb -0.04 0.50 0.73 0.00 -0.34 0.00 0.00 42.92 43.77 1tk8 s ASP 104 CO 0.29 -0.84 1.25 0.35 0.68 0.00 0.00 175.17 176.90 1tk8 n THR 105 N -0.08 0.00 -3.73 2.11 -2.24 -1.26 -4.85 114.28 104.23 1tk8 n THR 105 Ca -0.17 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1tk8 n THR 105 Cb 0.63 -0.43 0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1tk8 n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk8 n ASP 106 N -0.78 -3.81 -2.46 3.42 2.03 -1.26 -0.97 116.55 112.72 1tk8 n ASP 106 Ca 0.09 -0.72 -0.15 0.00 0.52 0.00 0.00 54.79 54.53 1tk8 n ASP 106 Cb 0.04 -4.32 0.05 0.00 -0.72 0.00 0.00 41.12 36.17 1tk8 n ASP 106 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tk8 n MET 107 N -4.58 -5.05 -0.51 -0.67 2.81 -1.26 -3.45 117.12 104.41 1tk8 n MET 107 Ca -0.10 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1tk8 n MET 107 Cb 0.59 -4.64 0.00 0.00 -0.71 0.00 0.00 33.22 28.46 1tk8 n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tk8 n GLY 108 N -1.46 0.90 0.18 3.03 0.00 -0.95 -4.90 105.19 101.99 1tk8 n GLY 108 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1tk8 n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tk8 h LEU 109 N 0.00 0.00 -9.16 0.99 3.38 -1.34 -3.44 115.31 105.73 1tk8 h LEU 109 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1tk8 h LEU 109 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 1tk8 h LEU 109 CO 0.00 0.34 -0.72 -0.76 0.09 0.00 0.00 178.44 177.39 1tk8 s LEU 110 N -6.53 3.07 0.03 1.67 1.43 -0.15 -5.04 118.68 113.16 1tk8 s LEU 110 Ca 0.03 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1tk8 s LEU 110 Cb 0.08 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1tk8 s LEU 110 CO 0.70 0.28 1.24 -0.13 0.23 0.00 0.00 176.35 178.66 1tk8 s ARG 111 N -1.44 4.39 0.14 1.70 0.52 -1.26 -4.71 118.95 118.29 1tk8 s ARG 111 Ca 0.17 1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 56.94 1tk8 s ARG 111 Cb -0.11 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1tk8 s ARG 111 CO 0.07 -0.36 1.64 0.77 0.02 0.00 0.00 175.30 177.44 1tk8 h SER 112 N 7.11 -0.72 -0.00 0.23 0.02 -1.96 -2.46 113.55 115.76 1tk8 h SER 112 Ca -0.39 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1tk8 h SER 112 Cb 1.20 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 64.07 1tk8 h SER 112 CO 0.84 -0.27 0.15 1.23 -1.14 0.00 0.00 176.83 177.65 1tk8 h GLY 113 N -0.26 0.00 1.35 -3.77 0.00 -2.02 -1.93 103.07 96.44 1tk8 h GLY 113 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1tk8 h GLY 113 CO -0.33 0.00 -0.44 1.17 0.00 0.00 0.00 176.54 176.94 1tk8 n LYS 114 N -3.01 0.20 -3.00 4.80 4.81 -0.93 -4.89 118.16 116.14 1tk8 n LYS 114 Ca -0.02 0.08 -0.37 0.00 -0.87 0.00 0.00 58.31 57.13 1tk8 n LYS 114 Cb 0.21 -1.65 -0.06 0.00 0.02 0.00 0.00 35.03 33.55 1tk8 n LYS 114 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1tk8 s LEU 115 N -3.92 4.42 0.46 3.14 1.43 -0.73 -5.07 118.68 118.42 1tk8 s LEU 115 Ca 0.09 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.64 1tk8 s LEU 115 Cb 0.15 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1tk8 s LEU 115 CO 0.68 0.07 0.85 -2.16 0.23 0.00 0.00 176.35 176.02 1tk8 s PRO 116 N -1.75 3.79 1.80 1.29 0.04 -1.26 -4.94 135.00 133.97 1tk8 s PRO 116 Ca 0.42 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1tk8 s PRO 116 Cb -0.19 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1tk8 s PRO 116 CO 0.23 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1tk8 n GLY 117 N -1.58 -1.23 3.99 0.56 0.00 -1.26 -4.67 105.19 101.00 1tk8 n GLY 117 Ca 0.04 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 1tk8 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 s ALA 124 N -1.33 4.21 0.02 4.61 0.00 -1.26 -5.03 121.76 122.97 1tk8 s ALA 124 Ca 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.55 1tk8 s ALA 124 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 1tk8 s ALA 124 CO 0.00 -0.35 -0.16 -0.51 0.00 0.00 0.00 175.76 174.74 1tk8 s LEU 125 N -4.44 2.10 0.22 0.00 1.43 -1.26 -4.24 118.68 112.49 1tk8 s LEU 125 Ca 0.52 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1tk8 s LEU 125 Cb -0.10 -0.78 -0.10 0.00 0.03 0.00 0.00 46.19 45.24 1tk8 s LEU 125 CO 0.34 0.14 1.51 -0.70 0.23 0.00 0.00 176.35 177.87 1tk8 s GLU 126 N -0.79 4.23 0.08 1.70 -6.30 -1.26 -4.92 118.70 111.44 1tk8 s GLU 126 Ca 0.05 2.35 -0.34 0.00 -2.50 0.00 0.00 54.97 54.53 1tk8 s GLU 126 Cb -0.07 -3.12 -0.17 0.00 0.00 0.00 0.00 34.13 30.77 1tk8 s GLU 126 CO 0.01 -0.52 1.60 0.00 0.02 0.00 0.00 175.26 176.37 1tk8 h ALA 127 N 5.78 -0.96 -0.45 6.30 0.00 -1.99 -0.94 119.26 127.01 1tk8 h ALA 127 Ca -0.45 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.34 1tk8 h ALA 127 Cb 1.21 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1tk8 h ALA 127 CO 0.84 -1.06 0.14 -1.49 0.00 0.00 0.00 179.25 177.68 1tk8 h TRP 128 N -0.94 0.25 -0.35 0.00 -0.00 -1.94 -0.22 115.95 112.74 1tk8 h TRP 128 Ca -0.07 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.77 1tk8 h TRP 128 Cb 0.77 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.87 1tk8 h TRP 128 CO -0.12 0.07 -0.10 0.78 -0.00 0.00 0.00 178.44 179.08 1tk8 h GLY 129 N 0.30 0.65 0.98 1.49 0.00 -1.93 -1.41 103.07 103.14 1tk8 h GLY 129 Ca 0.21 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1tk8 h GLY 129 CO -0.24 0.42 0.25 -1.82 0.00 0.00 0.00 176.54 175.15 1tk8 h TYR 130 N 0.56 0.76 0.22 5.60 3.20 -0.30 -1.09 116.97 125.91 1tk8 h TYR 130 Ca 0.10 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1tk8 h TYR 130 Cb 0.50 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1tk8 h TYR 130 CO 0.02 0.59 -0.29 0.00 -1.64 0.00 0.00 178.16 176.85 1tk8 h ARG 131 N 0.70 -0.54 -0.90 1.82 2.47 -0.43 -2.21 114.38 115.29 1tk8 h ARG 131 Ca 0.18 0.04 0.11 0.00 -1.26 0.00 0.00 59.98 59.05 1tk8 h ARG 131 Cb 0.13 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 1tk8 h ARG 131 CO -0.02 -0.36 0.58 -0.07 0.56 0.00 0.00 179.97 180.65 1tk8 h LEU 132 N -0.56 0.77 -0.57 3.04 3.38 -1.06 -0.48 115.31 119.83 1tk8 h LEU 132 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1tk8 h LEU 132 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1tk8 h LEU 132 CO -0.11 0.43 0.00 1.23 0.09 0.00 0.00 178.44 180.08 1tk8 h GLY 133 N 0.83 0.00 -0.55 0.83 0.00 -0.73 -3.13 103.07 100.33 1tk8 h GLY 133 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1tk8 h GLY 133 CO -0.19 0.00 -0.59 1.18 0.00 0.00 0.00 176.54 176.94 1tk8 n GLU 134 N -2.38 1.21 -0.31 4.80 -0.58 -0.23 -3.04 120.64 120.11 1tk8 n GLU 134 Ca 0.03 -0.57 0.07 0.00 -0.42 0.00 0.00 57.16 56.26 1tk8 n GLU 134 Cb 0.31 -1.39 0.22 0.00 -0.57 0.00 0.00 31.44 30.01 1tk8 n GLU 134 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1tk8 h MET 135 N 1.35 0.71 -0.06 3.49 2.86 -1.37 0.95 114.93 122.86 1tk8 h MET 135 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1tk8 h MET 135 Cb 0.58 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1tk8 h MET 135 CO 0.00 0.47 0.02 0.87 1.06 0.00 0.00 176.91 179.33 1tk8 h LYS 136 N 0.73 0.09 -0.00 1.72 1.57 -1.81 0.16 116.57 119.02 1tk8 h LYS 136 Ca 0.46 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.13 1tk8 h LYS 136 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1tk8 h LYS 136 CO -0.32 0.25 -0.47 0.78 -0.57 0.00 0.00 179.45 179.12 1tk8 h GLY 137 N -0.08 0.00 1.05 3.86 0.00 -1.77 -1.97 103.07 104.16 1tk8 h GLY 137 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1tk8 h GLY 137 CO -0.00 0.00 -0.50 -2.09 0.00 0.00 0.00 176.54 173.95 1tk8 h GLU 138 N 0.00 0.74 -0.29 4.80 4.81 -0.64 -2.28 114.58 121.72 1tk8 h GLU 138 Ca -0.00 -0.50 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 1tk8 h GLU 138 Cb 0.83 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1tk8 h GLU 138 CO 0.06 1.12 -0.25 -0.92 -0.73 0.00 0.00 179.01 178.29 1tk8 h TYR 139 N 0.47 0.64 -0.60 0.92 3.20 -0.55 -2.61 116.97 118.43 1tk8 h TYR 139 Ca 0.00 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.65 1tk8 h TYR 139 Cb 1.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1tk8 h TYR 139 CO 0.08 0.77 0.07 -0.22 -1.64 0.00 0.00 178.16 177.22 1tk8 h LYS 140 N 0.50 0.99 -0.33 1.82 3.64 -1.28 -0.80 116.57 121.12 1tk8 h LYS 140 Ca 0.07 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1tk8 h LYS 140 Cb 0.70 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1tk8 h LYS 140 CO 0.05 0.94 0.07 -0.44 -2.27 0.00 0.00 179.45 177.80 1tk8 h ASP 141 N 0.93 0.50 -0.78 4.20 3.32 -1.10 -0.70 116.42 122.79 1tk8 h ASP 141 Ca 0.18 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1tk8 h ASP 141 Cb 0.45 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1tk8 h ASP 141 CO 0.02 0.61 0.37 0.44 -1.72 0.00 0.00 179.24 178.96 1tk8 h ASP 142 N 0.37 1.02 -0.06 6.45 5.19 -1.29 -0.25 116.42 127.85 1tk8 h ASP 142 Ca 0.10 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1tk8 h ASP 142 Cb 0.31 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1tk8 h ASP 142 CO 0.00 0.87 0.03 0.15 -3.12 0.00 0.00 179.24 177.17 1tk8 h PHE 143 N 1.09 0.09 -0.57 4.55 3.57 -0.95 -1.66 116.94 123.06 1tk8 h PHE 143 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1tk8 h PHE 143 Cb 0.12 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1tk8 h PHE 143 CO 0.01 0.13 0.32 0.87 -2.23 0.00 0.00 178.31 177.41 1tk8 h LYS 144 N 0.02 0.80 -0.84 1.11 1.57 -0.90 -2.10 116.57 116.22 1tk8 h LYS 144 Ca 0.02 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1tk8 h LYS 144 Cb 0.07 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 1tk8 h LYS 144 CO -0.00 0.60 0.55 -0.09 -0.57 0.00 0.00 179.45 179.94 1tk8 h ARG 145 N 0.77 1.07 -0.34 3.15 2.43 -0.90 -1.97 114.38 118.59 1tk8 h ARG 145 Ca 0.20 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1tk8 h ARG 145 Cb 0.03 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1tk8 h ARG 145 CO -0.03 0.71 -0.27 0.52 -1.51 0.00 0.00 179.97 179.38 1tk8 h MET 146 N 1.10 0.70 -0.39 0.20 2.86 -1.01 -2.40 114.93 115.99 1tk8 h MET 146 Ca 0.32 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1tk8 h MET 146 Cb -0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1tk8 h MET 146 CO -0.09 0.89 0.07 -0.07 1.06 0.00 0.00 176.91 178.78 1tk8 h LEU 147 N 0.60 0.61 -0.24 1.22 3.38 -0.96 -1.89 115.31 118.04 1tk8 h LEU 147 Ca 0.08 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1tk8 h LEU 147 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1tk8 h LEU 147 CO 0.06 0.71 0.00 -0.62 0.09 0.00 0.00 178.44 178.68 1tk8 n GLU 148 N -4.54 0.07 0.07 1.13 1.02 -0.78 -1.43 120.64 116.19 1tk8 n GLU 148 Ca -0.01 0.29 -0.03 0.00 -0.02 0.00 0.00 57.16 57.40 1tk8 n GLU 148 Cb 0.22 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1tk8 n GLU 148 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1tk8 h GLU 149 N 0.00 0.00 -0.50 3.49 5.08 -0.83 -3.28 114.58 118.54 1tk8 h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tk8 h GLU 149 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1tk8 h GLU 149 CO 0.00 0.66 0.00 1.04 -1.00 0.00 0.00 179.01 179.71 1tk8 n GLN 150 N -3.20 3.60 0.00 2.33 1.13 -0.51 -4.97 117.38 115.77 1tk8 n GLN 150 Ca -0.03 -2.80 0.00 0.00 -1.94 0.00 0.00 57.00 52.23 1tk8 n GLN 150 Cb 0.87 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1tk8 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tk8 n GLY 151 N 0.56 1.76 3.56 1.08 0.00 -0.85 -4.99 105.19 106.32 1tk8 n GLY 151 Ca 0.23 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1tk8 n GLY 151 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tk8 n GLU 152 N 0.00 0.94 -3.01 1.61 1.02 -0.96 -4.84 120.64 115.40 1tk8 n GLU 152 Ca 0.00 0.35 -0.28 0.00 -0.02 0.00 0.00 57.16 57.21 1tk8 n GLU 152 Cb 0.00 -1.93 -0.02 0.00 -0.02 0.00 0.00 31.44 29.47 1tk8 n GLU 152 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1tk8 s GLU 153 N -2.17 3.60 0.12 3.49 2.02 -1.26 -3.73 118.70 120.76 1tk8 s GLU 153 Ca 0.68 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.73 1tk8 s GLU 153 Cb -0.50 -2.51 -0.05 0.00 0.10 0.00 0.00 34.13 31.17 1tk8 s GLU 153 CO 0.54 0.01 0.31 -0.47 0.02 0.00 0.00 175.26 175.67 1tk8 s TYR 154 N -2.41 3.49 0.01 1.61 5.04 -1.26 -4.99 117.35 118.83 1tk8 s TYR 154 Ca 0.46 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1tk8 s TYR 154 Cb -0.10 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1tk8 s TYR 154 CO 0.37 0.49 -0.07 0.08 -1.34 0.00 0.00 175.55 175.08 1tk8 s VAL 155 N -1.62 0.49 0.00 3.14 1.01 -1.26 -5.06 120.40 117.10 1tk8 s VAL 155 Ca 0.38 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1tk8 s VAL 155 Cb -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1tk8 s VAL 155 CO 0.26 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.83 1tk8 n ASP 156 N 2.53 0.00 -2.72 3.32 9.92 -1.26 -1.06 116.55 127.28 1tk8 n ASP 156 Ca -0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.10 1tk8 n ASP 156 Cb 0.57 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.13 1tk8 n ASP 156 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tk8 n GLY 157 N 0.00 1.86 0.23 0.44 0.00 -1.26 -4.95 105.19 101.51 1tk8 n GLY 157 Ca 0.00 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1tk8 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 h MET 158 N 1.89 0.00 0.00 1.61 -0.00 -1.52 -2.16 114.93 114.74 1tk8 h MET 158 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.43 1tk8 h MET 158 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 1tk8 h MET 158 CO 0.02 0.00 0.01 1.05 -0.00 0.00 0.00 176.91 177.99 1tk8 h GLU 159 N 0.00 0.00 -0.02 -0.10 9.09 -1.93 -1.88 114.58 119.74 1tk8 h GLU 159 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tk8 h GLU 159 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 1tk8 h GLU 159 CO 0.00 0.00 -0.09 0.91 0.05 0.00 0.00 179.01 179.88 1tk8 n TRP 160 N -2.72 0.00 -0.10 2.06 7.02 -0.81 -4.59 117.44 118.30 1tk8 n TRP 160 Ca -0.02 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.32 1tk8 n TRP 160 Cb 0.07 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 28.93 1tk8 n TRP 160 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1tk8 h TRP 161 N 2.78 1.10 -3.49 -5.99 6.55 -1.52 -3.39 115.95 112.00 1tk8 h TRP 161 Ca 0.00 -0.36 -0.42 0.00 0.95 0.00 0.00 58.89 59.07 1tk8 h TRP 161 Cb 0.64 -0.22 -0.18 0.00 -0.86 0.00 0.00 29.16 28.54 1tk8 h TRP 161 CO 0.00 1.18 -0.76 -0.80 -1.05 0.00 0.00 178.44 177.02 1tk8 s ASN 162 N -6.89 2.08 0.36 -3.49 0.01 -1.26 -4.97 114.94 100.78 1tk8 s ASN 162 Ca -0.11 -0.85 -0.24 0.00 -0.71 0.00 0.00 52.86 50.95 1tk8 s ASN 162 Cb 0.11 -0.08 -0.10 0.00 0.41 0.00 0.00 41.25 41.59 1tk8 s ASN 162 CO 0.88 -0.15 0.97 0.12 -1.51 0.00 0.00 177.10 177.41 1tk8 s PHE 163 N -2.29 3.52 0.15 2.20 5.36 -1.26 -5.00 117.98 120.65 1tk8 s PHE 163 Ca 0.11 1.71 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 1tk8 s PHE 163 Cb -0.04 -2.95 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 1tk8 s PHE 163 CO 0.03 -0.04 0.43 0.54 -1.46 0.00 0.00 175.22 174.72 1tk8 s ASN 164 N -1.74 -0.22 0.50 6.13 2.20 -1.26 -5.05 114.94 115.50 1tk8 s ASN 164 Ca 0.54 -0.40 0.17 0.00 -0.94 0.00 0.00 52.86 52.24 1tk8 s ASN 164 Cb -0.17 0.50 1.23 0.00 -2.00 0.00 0.00 41.25 40.81 1tk8 s ASN 164 CO 0.22 -0.91 2.10 -0.33 -2.94 0.00 0.00 177.10 175.24 1tk8 h GLU 165 N 2.33 0.00 -0.66 3.55 4.39 -1.99 -1.70 114.58 120.50 1tk8 h GLU 165 Ca -0.32 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.33 1tk8 h GLU 165 Cb 1.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1tk8 h GLU 165 CO 0.44 0.07 0.21 0.93 -1.16 0.00 0.00 179.01 179.50 1tk8 h GLU 166 N 0.00 1.00 -0.52 2.33 3.07 -1.99 0.30 114.58 118.77 1tk8 h GLU 166 Ca -0.00 -0.20 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 1tk8 h GLU 166 Cb 0.12 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1tk8 h GLU 166 CO 0.01 0.85 0.16 1.98 -1.40 0.00 0.00 179.01 180.61 1tk8 h MET 167 N 0.97 0.81 -0.47 2.33 1.85 -1.74 -2.36 114.93 116.31 1tk8 h MET 167 Ca 0.22 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1tk8 h MET 167 Cb 0.27 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.16 1tk8 h MET 167 CO -0.01 0.75 0.30 1.98 -0.40 0.00 0.00 176.91 179.53 1tk8 h MET 168 N 0.71 0.63 -0.65 0.39 -1.53 -0.83 -0.82 114.93 112.83 1tk8 h MET 168 Ca 0.17 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.38 1tk8 h MET 168 Cb 0.28 -0.14 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 1tk8 h MET 168 CO -0.00 0.44 0.42 -0.44 0.14 0.00 0.00 176.91 177.46 1tk8 h ASP 169 N 0.64 0.76 -0.74 1.39 3.32 -0.75 -0.97 116.42 120.06 1tk8 h ASP 169 Ca 0.17 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1tk8 h ASP 169 Cb -0.04 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1tk8 h ASP 169 CO -0.04 0.57 0.32 1.88 -1.72 0.00 0.00 179.24 180.25 1tk8 h TYR 170 N 0.88 1.10 -0.99 4.55 0.05 -1.16 -0.55 116.97 120.86 1tk8 h TYR 170 Ca 0.24 -0.07 0.08 0.00 0.05 0.00 0.00 58.73 59.02 1tk8 h TYR 170 Cb -0.07 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 37.26 1tk8 h TYR 170 CO -0.02 0.83 0.63 -0.97 -1.05 0.00 0.00 178.16 177.58 1tk8 h ASN 171 N 1.05 1.00 -0.35 3.88 -0.00 -0.43 0.12 115.58 120.85 1tk8 h ASN 171 Ca 0.25 0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.49 1tk8 h ASN 171 Cb 0.18 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.29 1tk8 h ASN 171 CO -0.02 0.62 -0.07 0.58 -0.00 0.00 0.00 177.43 178.54 1tk8 h VAL 172 N 1.12 1.27 -0.73 2.57 2.07 -0.25 -2.96 116.25 119.35 1tk8 h VAL 172 Ca 0.44 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1tk8 h VAL 172 Cb 0.23 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1tk8 h VAL 172 CO -0.19 0.37 0.40 1.56 0.02 0.00 0.00 177.57 179.73 1tk8 h GLN 173 N 0.45 1.02 -0.53 1.57 1.08 -0.09 -1.83 115.11 116.78 1tk8 h GLN 173 Ca 0.09 -0.12 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1tk8 h GLN 173 Cb 0.56 -0.20 -0.07 0.00 -0.05 0.00 0.00 27.48 27.72 1tk8 h GLN 173 CO 0.03 0.76 0.15 -0.44 -0.95 0.00 0.00 178.83 178.39 1tk8 h ASP 174 N 1.01 0.10 -0.55 1.46 3.32 -0.73 0.82 116.42 121.85 1tk8 h ASP 174 Ca 0.26 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1tk8 h ASP 174 Cb 0.04 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1tk8 h ASP 174 CO -0.04 0.08 0.20 0.58 -1.72 0.00 0.00 179.24 178.33 1tk8 h VAL 175 N 0.31 1.23 -0.50 -1.35 2.07 -1.23 0.76 116.25 117.53 1tk8 h VAL 175 Ca 0.27 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1tk8 h VAL 175 Cb 0.33 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1tk8 h VAL 175 CO -0.30 0.28 -0.06 -0.37 0.02 0.00 0.00 177.57 177.14 1tk8 h VAL 176 N 0.75 1.26 -0.35 2.57 -1.51 -0.80 0.91 116.25 119.08 1tk8 h VAL 176 Ca 0.18 -1.15 -0.14 0.00 -1.23 0.00 0.00 66.70 64.36 1tk8 h VAL 176 Cb 0.24 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1tk8 h VAL 176 CO -0.01 0.40 -0.34 0.58 -1.23 0.00 0.00 177.57 176.97 1tk8 h VAL 177 N 0.81 1.28 -0.35 7.19 2.07 -0.45 -1.59 116.25 125.21 1tk8 h VAL 177 Ca 0.14 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.04 1tk8 h VAL 177 Cb 0.57 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1tk8 h VAL 177 CO 0.03 0.50 -0.24 0.74 0.02 0.00 0.00 177.57 178.62 1tk8 h THR 178 N 0.67 1.27 -0.44 2.57 2.02 0.87 -0.63 112.91 119.25 1tk8 h THR 178 Ca 0.07 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 1tk8 h THR 178 Cb 0.90 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1tk8 h THR 178 CO 0.08 0.44 0.23 0.50 0.37 0.00 0.00 175.52 177.14 1tk8 h LYS 179 N 0.60 0.62 -0.44 6.66 3.64 -0.62 0.33 116.57 127.37 1tk8 h LYS 179 Ca 0.08 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1tk8 h LYS 179 Cb 0.72 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1tk8 h LYS 179 CO 0.06 0.51 0.10 0.00 -2.27 0.00 0.00 179.45 177.84 1tk8 h ALA 180 N 1.08 0.58 -0.19 5.00 0.00 -0.94 -1.88 119.26 122.91 1tk8 h ALA 180 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tk8 h ALA 180 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1tk8 h ALA 180 CO -0.02 0.27 0.08 1.25 0.00 0.00 0.00 179.25 180.82 1tk8 h LEU 181 N 0.58 0.10 -0.23 0.00 6.46 -0.91 -1.53 115.31 119.78 1tk8 h LEU 181 Ca 0.14 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1tk8 h LEU 181 Cb 0.33 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.20 1tk8 h LEU 181 CO 0.00 0.09 -0.17 0.25 -0.62 0.00 0.00 178.44 177.99 1tk8 h LEU 182 N 0.17 -0.55 -1.94 2.25 5.85 -0.71 -1.08 115.31 119.30 1tk8 h LEU 182 Ca 0.08 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1tk8 h LEU 182 Cb 0.03 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1tk8 h LEU 182 CO -0.07 -0.21 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.38 1tk8 h GLU 183 N -0.17 0.00 -0.20 1.25 5.08 -1.10 -0.41 114.58 119.02 1tk8 h GLU 183 Ca 0.13 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1tk8 h GLU 183 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1tk8 h GLU 183 CO -0.33 0.11 -0.69 -0.22 -1.00 0.00 0.00 179.01 176.88 1tk8 h LYS 184 N 0.00 0.83 -0.15 2.33 3.64 -0.21 -2.64 116.57 120.37 1tk8 h LYS 184 Ca -0.00 -0.62 -0.18 0.00 -1.27 0.00 0.00 60.65 58.58 1tk8 h LYS 184 Cb 0.25 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1tk8 h LYS 184 CO 0.01 1.23 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.70 1tk8 h LEU 185 N 0.58 0.68 -1.73 5.20 3.38 -0.62 -2.91 115.31 119.89 1tk8 h LEU 185 Ca -0.03 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1tk8 h LEU 185 Cb 1.31 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1tk8 h LEU 185 CO 0.15 1.15 -0.03 -0.07 0.09 0.00 0.00 178.44 179.73 1tk8 h LEU 186 N 0.43 0.00 0.00 1.67 3.38 -1.09 -2.30 115.31 117.40 1tk8 h LEU 186 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tk8 h LEU 186 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1tk8 h LEU 186 CO 0.12 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 1tk8 n SER 187 N -3.15 0.00 -4.58 -0.43 3.41 -1.00 -4.67 113.62 103.20 1tk8 n SER 187 Ca -0.00 -0.10 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1tk8 n SER 187 Cb 0.27 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1tk8 n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tk8 s ASP 188 N -2.57 6.37 0.61 4.04 -1.08 -0.87 -4.88 116.67 118.30 1tk8 s ASP 188 Ca 0.26 0.28 0.35 0.00 -0.52 0.00 0.00 52.55 52.92 1tk8 s ASP 188 Cb 0.18 -2.55 2.01 0.00 -1.46 0.00 0.00 42.92 41.10 1tk8 s ASP 188 CO 0.41 -1.51 2.28 0.11 0.52 0.00 0.00 175.17 176.98 1tk8 h LYS 189 N 10.05 0.00 -0.12 4.34 1.57 -1.83 -1.63 116.57 128.95 1tk8 h LYS 189 Ca -0.25 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1tk8 h LYS 189 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1tk8 h LYS 189 CO 1.17 0.01 -0.36 1.25 -0.57 0.00 0.00 179.45 180.95 1tk8 h HIS 190 N 0.00 0.29 0.00 -1.35 2.76 -1.97 -3.30 115.15 111.58 1tk8 h HIS 190 Ca -0.00 -0.07 -0.14 0.00 -2.20 0.00 0.00 60.37 57.95 1tk8 h HIS 190 Cb 0.04 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1tk8 h HIS 190 CO 0.00 0.59 -1.97 0.66 -1.30 0.00 0.00 177.93 175.91 1tk8 n TYR 191 N -4.07 0.00 -3.83 5.26 4.02 -0.89 -4.80 117.16 112.85 1tk8 n TYR 191 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.61 1tk8 n TYR 191 Cb 0.44 -0.60 -0.17 0.00 -0.02 0.00 0.00 39.34 38.99 1tk8 n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1tk8 s PHE 192 N -2.84 1.33 0.19 -0.72 0.08 -0.66 -1.78 117.98 113.58 1tk8 s PHE 192 Ca -0.07 -0.85 -0.33 0.00 0.12 0.00 0.00 56.93 55.80 1tk8 s PHE 192 Cb 0.08 -1.14 -0.14 0.00 -0.57 0.00 0.00 43.02 41.25 1tk8 s PHE 192 CO 0.71 -0.56 1.39 -2.30 -0.10 0.00 0.00 175.22 174.36 1tk8 n PRO 193 N 4.97 1.77 0.11 0.24 -0.02 -1.26 -4.20 135.00 136.61 1tk8 n PRO 193 Ca -0.10 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 1tk8 n PRO 193 Cb 0.48 -2.28 0.43 0.00 -0.02 0.00 0.00 33.50 32.11 1tk8 n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1tk8 h PRO 194 N 4.49 0.27 0.00 0.52 0.11 -1.94 -2.91 132.00 132.54 1tk8 h PRO 194 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tk8 h PRO 194 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1tk8 h PRO 194 CO 0.78 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 179.28 1tk8 n GLU 195 N -4.36 0.07 -5.07 1.05 4.71 -1.26 -4.66 120.64 111.12 1tk8 n GLU 195 Ca -0.00 0.26 -0.29 0.00 -0.01 0.00 0.00 57.16 57.11 1tk8 n GLU 195 Cb 0.19 -1.50 -0.16 0.00 -1.01 0.00 0.00 31.44 28.96 1tk8 n GLU 195 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1tk8 s ILE 196 N -2.66 1.78 -0.74 -3.67 1.01 -1.10 -5.08 121.20 110.74 1tk8 s ILE 196 Ca 0.06 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 1tk8 s ILE 196 Cb 0.04 -1.52 0.11 0.00 0.01 0.00 0.00 42.46 41.10 1tk8 s ILE 196 CO 0.10 0.50 0.94 -0.62 0.00 0.00 0.00 174.94 175.87 1tk8 s ASP 197 N 0.02 6.36 0.00 3.58 -1.08 -1.26 -4.89 116.67 119.40 1tk8 s ASP 197 Ca -0.06 -1.55 0.08 0.00 -0.52 0.00 0.00 52.55 50.49 1tk8 s ASP 197 Cb -0.14 -2.37 0.38 0.00 -1.46 0.00 0.00 42.92 39.33 1tk8 s ASP 197 CO 0.04 -1.18 1.20 0.49 0.52 0.00 0.00 175.17 176.24 1tk8 n PHE 198 N 6.75 0.00 0.96 -5.34 3.01 -1.26 -1.06 117.46 120.52 1tk8 n PHE 198 Ca 0.05 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.62 1tk8 n PHE 198 Cb 0.46 -0.41 0.32 0.00 -0.01 0.00 0.00 39.48 39.84 1tk8 n PHE 198 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1tk8 n THR 199 N -1.41 0.29 -2.66 4.37 -2.24 -1.26 -4.23 114.28 107.15 1tk8 n THR 199 Ca 0.03 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1tk8 n THR 199 Cb 0.08 0.57 0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1tk8 n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk8 n ASP 200 N 0.68 1.99 -3.94 3.42 2.03 -0.22 -4.41 116.55 116.10 1tk8 n ASP 200 Ca 0.17 -2.69 -0.08 0.00 0.52 0.00 0.00 54.79 52.70 1tk8 n ASP 200 Cb 0.41 -0.50 -0.09 0.00 -0.72 0.00 0.00 41.12 40.23 1tk8 n ASP 200 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tk8 s VAL 201 N -3.63 0.16 1.02 5.18 -7.23 -1.25 -4.93 120.40 109.71 1tk8 s VAL 201 Ca 0.30 -1.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 1tk8 s VAL 201 Cb 0.41 -1.27 0.20 0.00 0.56 0.00 0.00 36.38 36.28 1tk8 s VAL 201 CO -0.01 -0.73 1.13 -0.83 -0.31 0.00 0.00 175.10 174.35 1tk8 s GLY 202 N -2.68 1.59 0.17 2.32 0.00 -1.26 -4.74 107.32 102.71 1tk8 s GLY 202 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 1tk8 s GLY 202 CO -0.09 0.04 1.69 0.10 0.00 0.00 0.00 173.10 174.84 1tk8 h TYR 203 N -1.92 0.93 -0.87 1.90 -0.00 -1.60 -2.21 116.97 113.20 1tk8 h TYR 203 Ca -0.50 -0.10 0.06 0.00 0.00 0.00 0.00 58.73 58.19 1tk8 h TYR 203 Cb 1.32 -0.27 -0.06 0.00 0.00 0.00 0.00 36.73 37.72 1tk8 h TYR 203 CO -0.41 0.78 0.54 1.15 -0.00 0.00 0.00 178.16 180.23 1tk8 h THR 204 N 0.80 1.05 -0.43 -0.90 2.02 -1.88 -1.60 112.91 111.96 1tk8 h THR 204 Ca 0.18 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 1tk8 h THR 204 Cb 0.30 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1tk8 h THR 204 CO -0.00 0.18 0.04 0.74 0.37 0.00 0.00 175.52 176.85 1tk8 h THR 205 N 0.99 1.25 -0.67 3.16 2.02 -1.89 -1.51 112.91 116.26 1tk8 h THR 205 Ca 0.38 -0.95 0.09 0.00 0.77 0.00 0.00 66.41 66.70 1tk8 h THR 205 Cb 0.17 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1tk8 h THR 205 CO -0.17 0.33 0.31 0.15 0.37 0.00 0.00 175.52 176.50 1tk8 h PHE 206 N 0.58 0.55 0.10 3.16 3.04 -0.68 0.13 116.94 123.81 1tk8 h PHE 206 Ca 0.13 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.82 1tk8 h PHE 206 Cb 0.43 -0.14 0.03 0.00 2.56 0.00 0.00 35.95 38.82 1tk8 h PHE 206 CO 0.03 0.18 -1.17 -1.49 -2.02 0.00 0.00 178.31 173.83 1tk8 h TRP 207 N 0.53 0.99 -0.06 0.41 -0.00 -1.30 -3.11 115.95 113.42 1tk8 h TRP 207 Ca 0.34 -0.61 -0.16 0.00 -0.00 0.00 0.00 58.89 58.45 1tk8 h TRP 207 Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 1tk8 h TRP 207 CO -0.13 1.45 -0.67 0.66 -0.00 0.00 0.00 178.44 179.75 1tk8 h SER 208 N 0.26 0.30 1.19 -3.49 4.64 -0.98 -3.25 113.55 112.20 1tk8 h SER 208 Ca -0.17 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1tk8 h SER 208 Cb 1.85 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 1tk8 h SER 208 CO 0.23 0.88 -0.49 -0.33 -0.87 0.00 0.00 176.83 176.25 1tk8 h GLU 209 N 0.18 0.00 -6.75 4.77 4.39 -0.88 -3.47 114.58 112.82 1tk8 h GLU 209 Ca -0.02 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.21 1tk8 h GLU 209 Cb 1.21 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1tk8 h GLU 209 CO 0.11 0.00 -0.04 -1.54 -1.16 0.00 0.00 179.01 176.37 1tk8 s SER 210 N -4.82 6.08 0.40 1.42 1.04 -1.17 -4.52 113.70 112.13 1tk8 s SER 210 Ca 0.06 0.56 -0.25 0.00 0.48 0.00 0.00 55.95 56.80 1tk8 s SER 210 Cb 0.11 -1.91 -0.11 0.00 0.10 0.00 0.00 66.02 64.21 1tk8 s SER 210 CO 0.70 -0.57 1.14 -0.11 0.98 0.00 0.00 173.24 175.39 1tk8 n LEU 211 N -2.08 3.23 -0.34 2.42 7.94 -0.73 -4.84 117.00 122.59 1tk8 n LEU 211 Ca -0.01 1.09 0.22 0.00 -1.11 0.00 0.00 56.01 56.21 1tk8 n LEU 211 Cb 0.56 -1.42 0.48 0.00 0.53 0.00 0.00 43.42 43.57 1tk8 n LEU 211 CO 0.50 -1.04 1.19 -0.08 -1.11 0.00 0.00 177.39 176.86 1tk8 h GLU 212 N 1.89 0.41 -0.43 1.96 4.81 -1.89 -0.26 114.58 121.08 1tk8 h GLU 212 Ca -0.46 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1tk8 h GLU 212 Cb 1.32 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1tk8 h GLU 212 CO 0.59 0.27 0.30 0.00 -0.73 0.00 0.00 179.01 179.44 1tk8 h ALA 213 N 1.67 2.23 -0.68 2.92 0.00 -1.81 -1.54 119.26 122.06 1tk8 h ALA 213 Ca 0.64 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.47 1tk8 h ALA 213 Cb 1.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1tk8 h ALA 213 CO -0.39 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 178.96 1tk8 h VAL 214 N 0.13 1.26 -0.07 0.00 2.07 -1.37 -1.66 116.25 116.62 1tk8 h VAL 214 Ca 0.20 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1tk8 h VAL 214 Cb 0.62 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1tk8 h VAL 214 CO -0.02 0.37 -0.05 -0.78 0.02 0.00 0.00 177.57 177.10 1tk8 h ASP 215 N 1.02 0.16 -0.42 0.57 3.58 -1.41 -2.93 116.42 116.99 1tk8 h ASP 215 Ca 0.21 -0.46 0.06 0.00 0.42 0.00 0.00 57.03 57.26 1tk8 h ASP 215 Cb 0.38 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 1tk8 h ASP 215 CO 0.00 0.59 0.10 0.40 -2.88 0.00 0.00 179.24 177.45 1tk8 h ILE 216 N -0.27 0.81 -0.85 2.25 2.04 -1.37 -1.46 117.51 118.66 1tk8 h ILE 216 Ca 0.01 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1tk8 h ILE 216 Cb 0.54 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1tk8 h ILE 216 CO 0.01 0.04 0.55 -0.33 0.00 0.00 0.00 178.15 178.43 1tk8 h GLU 217 N 0.24 1.07 -0.25 2.37 4.39 -1.34 0.46 114.58 121.52 1tk8 h GLU 217 Ca 0.20 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 1tk8 h GLU 217 Cb 0.23 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1tk8 h GLU 217 CO -0.25 0.70 -0.48 0.45 -1.16 0.00 0.00 179.01 178.28 1tk8 h HIS 218 N 1.10 0.84 -0.43 4.33 3.86 -1.26 -1.47 115.15 122.11 1tk8 h HIS 218 Ca 0.33 -0.27 -0.13 0.00 -1.16 0.00 0.00 60.37 59.13 1tk8 h HIS 218 Cb -0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1tk8 h HIS 218 CO -0.02 1.03 -0.25 0.00 0.86 0.00 0.00 177.93 179.55 1tk8 h ARG 219 N 0.54 0.91 -0.04 2.45 3.08 -0.95 -1.75 114.38 118.62 1tk8 h ARG 219 Ca 0.03 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 1tk8 h ARG 219 Cb 1.03 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1tk8 h ARG 219 CO 0.10 1.05 0.01 0.00 -1.07 0.00 0.00 179.97 180.06 1tk8 h ALA 220 N 0.93 0.05 -0.86 0.04 0.00 -0.81 -1.13 119.26 117.49 1tk8 h ALA 220 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1tk8 h ALA 220 Cb 0.81 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1tk8 h ALA 220 CO 0.07 -0.33 0.57 0.00 0.00 0.00 0.00 179.25 179.55 1tk8 h ALA 221 N 0.80 1.47 -0.20 0.00 0.00 -1.23 0.27 119.26 120.37 1tk8 h ALA 221 Ca 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1tk8 h ALA 221 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1tk8 h ALA 221 CO 0.00 0.44 -0.09 2.35 0.00 0.00 0.00 179.25 181.95 1tk8 h TRP 222 N 1.06 0.46 -0.30 0.00 2.91 -1.16 0.68 115.95 119.61 1tk8 h TRP 222 Ca 0.34 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 1tk8 h TRP 222 Cb 0.04 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1tk8 h TRP 222 CO -0.00 0.69 0.14 1.25 -1.03 0.00 0.00 178.44 179.49 1tk8 h LEU 223 N 0.10 0.40 -1.03 0.65 5.85 -0.73 -2.71 115.31 117.83 1tk8 h LEU 223 Ca 0.04 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1tk8 h LEU 223 Cb 0.57 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1tk8 h LEU 223 CO 0.03 0.42 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.06 1tk8 h LEU 224 N 0.35 0.13 -0.49 2.25 3.38 -0.44 -1.92 115.31 118.56 1tk8 h LEU 224 Ca 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1tk8 h LEU 224 Cb 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1tk8 h LEU 224 CO -0.01 0.54 0.31 0.00 0.09 0.00 0.00 178.44 179.36 1tk8 h ALA 225 N 1.47 0.62 -0.77 1.53 0.00 -0.65 -1.16 119.26 120.30 1tk8 h ALA 225 Ca 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1tk8 h ALA 225 Cb 0.79 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1tk8 h ALA 225 CO 0.06 0.02 0.50 -0.22 0.00 0.00 0.00 179.25 179.61 1tk8 h LYS 226 N 0.62 0.97 -0.72 0.00 1.63 -1.15 -2.18 116.57 115.74 1tk8 h LYS 226 Ca 0.19 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1tk8 h LYS 226 Cb -0.02 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.35 1tk8 h LYS 226 CO -0.07 0.64 0.33 0.37 -3.45 0.00 0.00 179.45 177.28 1tk8 h GLN 227 N 0.99 1.03 -0.17 1.90 4.15 -0.69 -0.29 115.11 122.03 1tk8 h GLN 227 Ca 0.30 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1tk8 h GLN 227 Cb -0.04 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1tk8 h GLN 227 CO -0.09 0.80 0.11 0.93 -1.93 0.00 0.00 178.83 178.65 1tk8 h GLU 228 N 1.02 0.23 -0.66 1.69 5.08 -0.63 -1.28 114.58 120.04 1tk8 h GLU 228 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1tk8 h GLU 228 Cb 0.12 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1tk8 h GLU 228 CO -0.03 0.19 0.43 0.00 -1.00 0.00 0.00 179.01 178.60 1tk8 h ARG 229 N 0.21 0.87 -0.19 2.33 3.08 -0.98 -2.28 114.38 117.42 1tk8 h ARG 229 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1tk8 h ARG 229 Cb 0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1tk8 h ARG 229 CO -0.01 0.58 0.09 -0.91 -1.07 0.00 0.00 179.97 178.65 1tk8 h ASN 230 N 0.89 0.25 -3.94 7.04 2.35 -0.50 -3.49 115.58 118.19 1tk8 h ASN 230 Ca 0.24 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1tk8 h ASN 230 Cb -0.09 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1tk8 h ASN 230 CO -0.05 0.32 -0.13 0.61 -1.65 0.00 0.00 177.43 176.54 1tk8 n GLY 231 N -0.78 -2.20 3.34 2.83 0.00 -0.53 -4.86 105.19 102.98 1tk8 n GLY 231 Ca -0.04 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1tk8 n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tk8 s PHE 232 N -2.41 3.11 -0.05 1.61 2.19 0.19 -4.66 117.98 117.96 1tk8 s PHE 232 Ca 0.00 -0.94 -0.36 0.00 0.33 0.00 0.00 56.93 55.97 1tk8 s PHE 232 Cb 0.00 -2.21 -0.14 0.00 -1.31 0.00 0.00 43.02 39.36 1tk8 s PHE 232 CO 0.00 -0.55 1.71 -2.30 1.83 0.00 0.00 175.22 175.91 1tk8 n PRO 233 N 4.85 1.83 -5.24 10.12 -0.02 -1.26 -1.60 135.00 143.67 1tk8 n PRO 233 Ca -0.15 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 1tk8 n PRO 233 Cb 0.49 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 1tk8 n PRO 233 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1tk8 s PHE 234 N 2.78 2.36 -1.18 6.00 5.36 -0.61 -1.31 117.98 131.38 1tk8 s PHE 234 Ca 0.90 -0.66 -0.14 0.00 -0.96 0.00 0.00 56.93 56.07 1tk8 s PHE 234 Cb -0.80 -1.54 0.17 0.00 -0.34 0.00 0.00 43.02 40.51 1tk8 s PHE 234 CO 0.51 -0.18 1.39 0.34 -1.46 0.00 0.00 175.22 175.81 1tk8 s ASP 235 N -0.23 7.05 0.15 6.13 -1.08 0.11 -4.80 116.67 124.01 1tk8 s ASP 235 Ca -0.01 -2.95 -0.20 0.00 -0.52 0.00 0.00 52.55 48.87 1tk8 s ASP 235 Cb -0.13 -2.39 0.05 0.00 -1.46 0.00 0.00 42.92 38.99 1tk8 s ASP 235 CO 0.03 -0.75 1.66 0.74 0.52 0.00 0.00 175.17 177.37 1tk8 h THR 236 N 4.70 0.53 -0.43 1.71 2.02 -1.92 -2.46 112.91 117.07 1tk8 h THR 236 Ca 0.29 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.56 1tk8 h THR 236 Cb 0.89 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 1tk8 h THR 236 CO 1.22 0.00 -0.25 0.50 0.37 0.00 0.00 175.52 177.36 1tk8 h LYS 237 N -0.13 -0.16 -0.89 6.66 3.11 -1.99 -0.20 116.57 122.98 1tk8 h LYS 237 Ca 0.15 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.04 1tk8 h LYS 237 Cb 0.35 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.57 1tk8 h LYS 237 CO -0.36 -0.11 0.58 0.00 -2.81 0.00 0.00 179.45 176.75 1tk8 h ALA 238 N 1.04 1.46 -0.12 5.00 0.00 -1.88 -1.73 119.26 123.03 1tk8 h ALA 238 Ca 0.20 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1tk8 h ALA 238 Cb 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1tk8 h ALA 238 CO -0.53 0.44 -0.75 0.82 0.00 0.00 0.00 179.25 179.24 1tk8 h ILE 239 N 1.09 1.33 -0.07 0.00 1.08 -0.82 -1.69 117.51 118.42 1tk8 h ILE 239 Ca 0.36 -2.05 -0.06 0.00 -0.39 0.00 0.00 64.86 62.72 1tk8 h ILE 239 Cb 0.06 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1tk8 h ILE 239 CO -0.11 0.63 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.39 1tk8 h GLU 240 N 0.41 0.12 -0.03 2.37 5.08 -0.72 0.13 114.58 121.96 1tk8 h GLU 240 Ca -0.04 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1tk8 h GLU 240 Cb 1.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1tk8 h GLU 240 CO 0.14 0.38 -0.76 0.93 -1.00 0.00 0.00 179.01 178.70 1tk8 h GLU 241 N 0.11 0.20 -0.07 2.33 5.08 -1.14 -2.20 114.58 118.89 1tk8 h GLU 241 Ca 0.02 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1tk8 h GLU 241 Cb 0.52 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1tk8 h GLU 241 CO 0.04 0.86 -0.56 1.25 -1.00 0.00 0.00 179.01 179.60 1tk8 h LEU 242 N 0.13 0.25 -0.41 1.33 5.85 -0.49 -2.43 115.31 119.53 1tk8 h LEU 242 Ca -0.03 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1tk8 h LEU 242 Cb 1.33 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1tk8 h LEU 242 CO 0.11 0.76 0.00 0.22 -0.34 0.00 0.00 178.44 179.19 1tk8 h TYR 243 N 0.17 0.78 0.03 1.25 3.20 -0.54 -0.02 116.97 121.84 1tk8 h TYR 243 Ca -0.00 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1tk8 h TYR 243 Cb 1.04 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1tk8 h TYR 243 CO 0.02 0.79 -0.03 0.28 -1.64 0.00 0.00 178.16 177.58 1tk8 h VAL 244 N 0.55 0.93 -0.70 1.81 2.07 -1.29 0.14 116.25 119.76 1tk8 h VAL 244 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 1tk8 h VAL 244 Cb 0.47 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1tk8 h VAL 244 CO 0.02 0.00 0.45 -0.08 0.02 0.00 0.00 177.57 177.98 1tk8 h GLU 245 N -0.06 0.86 -0.11 1.57 4.81 -1.28 -1.22 114.58 119.14 1tk8 h GLU 245 Ca 0.00 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1tk8 h GLU 245 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1tk8 h GLU 245 CO -0.01 0.57 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.29 1tk8 h LEU 246 N 0.89 0.31 -0.51 1.64 3.38 -0.73 -2.23 115.31 118.05 1tk8 h LEU 246 Ca 0.27 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1tk8 h LEU 246 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1tk8 h LEU 246 CO -0.09 0.75 -0.29 0.00 0.09 0.00 0.00 178.44 178.89 1tk8 h ALA 247 N 1.26 0.69 0.09 1.53 0.00 -0.30 -0.12 119.26 122.42 1tk8 h ALA 247 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1tk8 h ALA 247 Cb 0.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1tk8 h ALA 247 CO 0.08 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.95 1tk8 h ALA 248 N 0.89 -0.13 -0.93 0.00 0.00 -1.12 0.20 119.26 118.19 1tk8 h ALA 248 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tk8 h ALA 248 Cb 0.86 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1tk8 h ALA 248 CO 0.08 -0.52 0.61 -0.09 0.00 0.00 0.00 179.25 179.33 1tk8 h ARG 249 N -0.23 1.20 0.09 0.00 9.65 -1.30 -0.87 114.38 122.92 1tk8 h ARG 249 Ca -0.01 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1tk8 h ARG 249 Cb 0.19 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1tk8 h ARG 249 CO 0.02 0.80 -0.04 -0.09 2.80 0.00 0.00 179.97 183.46 1tk8 h ARG 250 N 1.24 -0.11 -0.87 0.20 2.43 -0.64 -1.11 114.38 115.52 1tk8 h ARG 250 Ca 0.35 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.61 1tk8 h ARG 250 Cb -0.11 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 1tk8 h ARG 250 CO -0.08 0.01 0.53 0.77 -1.51 0.00 0.00 179.97 179.69 1tk8 h SER 251 N -0.21 0.79 -0.28 -3.80 0.02 -0.46 0.38 113.55 110.00 1tk8 h SER 251 Ca -0.01 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1tk8 h SER 251 Cb 0.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1tk8 h SER 251 CO 0.02 0.47 0.05 -0.08 -1.14 0.00 0.00 176.83 176.15 1tk8 h GLU 252 N 0.91 0.46 -0.78 3.45 4.57 -0.97 -1.20 114.58 121.02 1tk8 h GLU 252 Ca 0.40 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1tk8 h GLU 252 Cb 0.29 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1tk8 h GLU 252 CO -0.22 0.56 0.31 -0.07 -1.18 0.00 0.00 179.01 178.41 1tk8 h LEU 253 N 0.28 1.07 -0.71 1.64 3.38 -0.62 -1.91 115.31 118.43 1tk8 h LEU 253 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1tk8 h LEU 253 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1tk8 h LEU 253 CO 0.00 0.95 0.35 0.25 0.09 0.00 0.00 178.44 180.08 1tk8 h LEU 254 N 1.13 0.92 -0.15 1.67 5.85 -0.73 0.71 115.31 124.70 1tk8 h LEU 254 Ca 0.26 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1tk8 h LEU 254 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1tk8 h LEU 254 CO -0.02 0.79 0.09 -0.09 -0.34 0.00 0.00 178.44 178.86 1tk8 h ARG 255 N 0.99 0.21 -0.39 1.25 2.43 -0.81 0.63 114.38 118.70 1tk8 h ARG 255 Ca 0.25 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1tk8 h ARG 255 Cb 0.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1tk8 h ARG 255 CO -0.03 0.20 0.04 0.87 -1.51 0.00 0.00 179.97 179.54 1tk8 h LYS 256 N 0.16 0.66 -0.44 0.20 1.57 -1.12 -2.12 116.57 115.46 1tk8 h LYS 256 Ca 0.05 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1tk8 h LYS 256 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1tk8 h LYS 256 CO -0.01 0.73 0.01 -0.07 -0.57 0.00 0.00 179.45 179.54 1tk8 h LEU 257 N 0.50 0.68 -0.72 2.94 3.38 -0.72 -1.78 115.31 119.58 1tk8 h LEU 257 Ca 0.12 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1tk8 h LEU 257 Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1tk8 h LEU 257 CO 0.01 0.74 -0.59 0.71 0.09 0.00 0.00 178.44 179.40 1tk8 h THR 258 N 0.68 1.33 -0.39 0.22 1.35 -0.77 0.24 112.91 115.57 1tk8 h THR 258 Ca 0.14 -2.09 -0.15 0.00 -0.55 0.00 0.00 66.41 63.76 1tk8 h THR 258 Cb 0.40 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1tk8 h THR 258 CO 0.01 0.58 -0.33 -0.08 -0.25 0.00 0.00 175.52 175.45 1tk8 h GLU 259 N 0.00 0.91 -0.05 4.72 4.22 -0.97 -3.27 114.58 120.15 1tk8 h GLU 259 Ca -0.01 -0.46 -0.13 0.00 0.08 0.00 0.00 59.36 58.85 1tk8 h GLU 259 Cb 1.11 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1tk8 h GLU 259 CO 0.08 1.12 -0.46 1.15 -2.18 0.00 0.00 179.01 178.71 1tk8 h THR 260 N 0.73 1.42 -3.65 0.32 2.02 -1.10 -3.41 112.91 109.24 1tk8 h THR 260 Ca 0.07 -1.90 -0.69 0.00 0.77 0.00 0.00 66.41 64.65 1tk8 h THR 260 Cb 0.92 2.44 -0.31 0.00 -1.74 0.00 0.00 68.15 69.46 1tk8 h THR 260 CO 0.09 0.55 -0.62 -0.36 0.37 0.00 0.00 175.52 175.55 1tk8 s PHE 261 N -3.44 3.33 0.90 3.16 0.08 0.81 -5.05 117.98 117.78 1tk8 s PHE 261 Ca -0.14 -1.79 -0.12 0.00 0.12 0.00 0.00 56.93 55.00 1tk8 s PHE 261 Cb 0.04 -2.47 0.13 0.00 -0.57 0.00 0.00 43.02 40.15 1tk8 s PHE 261 CO 0.80 -0.82 1.13 0.20 -0.10 0.00 0.00 175.22 176.44 1tk8 s GLY 262 N 1.50 1.58 0.81 4.36 0.00 -1.25 -4.39 107.32 109.93 1tk8 s GLY 262 Ca -0.01 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 1tk8 s GLY 262 CO -0.00 0.06 1.12 -1.35 0.00 0.00 0.00 173.10 172.93 1tk8 s SER 263 N -4.01 4.47 0.26 1.64 1.04 -1.26 -4.56 113.70 111.28 1tk8 s SER 263 Ca 0.63 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 1tk8 s SER 263 Cb -0.15 -1.75 0.01 0.00 0.10 0.00 0.00 66.02 64.23 1tk8 s SER 263 CO 0.53 -1.96 0.57 -1.66 0.98 0.00 0.00 173.24 171.70 1tk8 s TRP 264 N -3.31 0.13 -0.06 5.02 -2.14 -0.37 -4.98 118.94 113.23 1tk8 s TRP 264 Ca 0.61 -0.53 -0.03 0.00 2.66 0.00 0.00 56.10 58.82 1tk8 s TRP 264 Cb -0.13 0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 30.59 1tk8 s TRP 264 CO 0.52 -1.08 0.07 0.71 -2.66 0.00 0.00 176.95 174.52 1tk8 s TYR 265 N -3.97 3.32 0.06 1.66 1.51 -1.26 -0.19 117.35 118.48 1tk8 s TYR 265 Ca 0.17 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.56 1tk8 s TYR 265 Cb -0.03 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1tk8 s TYR 265 CO 0.07 0.57 -0.12 -0.65 -1.11 0.00 0.00 175.55 174.31 1tk8 s GLN 266 N -1.25 0.74 0.38 -0.62 -0.21 -0.78 -4.96 119.66 112.96 1tk8 s GLN 266 Ca 0.17 -0.89 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1tk8 s GLN 266 Cb -0.12 -0.68 -0.09 0.00 1.00 0.00 0.00 33.01 33.12 1tk8 s GLN 266 CO 0.07 0.15 1.22 -1.25 -2.12 0.00 0.00 175.29 173.36 1tk8 s PRO 267 N -1.66 4.12 -0.29 2.91 0.04 -1.26 -0.73 135.00 138.12 1tk8 s PRO 267 Ca -0.04 1.98 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1tk8 s PRO 267 Cb -0.10 -2.79 0.13 0.00 0.04 0.00 0.00 34.50 31.78 1tk8 s PRO 267 CO 0.02 -0.31 0.86 0.21 0.04 0.00 0.00 177.00 177.82 1tk8 s LYS 268 N -2.14 0.47 0.00 4.56 2.47 0.13 -4.77 119.74 120.46 1tk8 s LYS 268 Ca 0.55 0.93 0.00 0.00 -1.56 0.00 0.00 55.97 55.89 1tk8 s LYS 268 Cb -0.34 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.32 1tk8 s LYS 268 CO 0.44 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.24 1tk8 n GLY 269 N 4.39 0.75 3.74 5.54 0.00 -1.26 -3.85 105.19 114.50 1tk8 n GLY 269 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1tk8 n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tk8 s GLY 270 N -1.62 2.78 -0.14 -0.02 0.00 -1.26 -4.92 107.32 102.14 1tk8 s GLY 270 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 44.72 45.59 1tk8 s GLY 270 CO 0.00 1.77 -0.17 -1.30 0.00 0.00 0.00 173.10 173.39 1tk8 n THR 271 N 2.19 0.77 -1.86 0.90 -2.24 -1.00 -4.77 114.28 108.27 1tk8 n THR 271 Ca 0.03 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 1tk8 n THR 271 Cb 0.45 -1.58 0.01 0.00 -2.10 0.00 0.00 70.33 67.12 1tk8 n THR 271 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1tk8 s GLU 272 N -2.26 3.52 0.09 -0.78 2.02 -0.83 -4.86 118.70 115.61 1tk8 s GLU 272 Ca -0.19 0.73 -0.22 0.00 0.02 0.00 0.00 54.97 55.31 1tk8 s GLU 272 Cb 0.07 -2.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 1tk8 s GLU 272 CO 0.26 -0.63 0.66 1.41 0.02 0.00 0.00 175.26 176.98 1tk8 s MET 273 N -5.19 4.37 -0.05 1.61 -2.45 -1.26 -1.56 119.30 114.77 1tk8 s MET 273 Ca 0.55 0.92 -0.26 0.00 -1.25 0.00 0.00 55.69 55.65 1tk8 s MET 273 Cb -0.11 -3.27 -0.03 0.00 1.25 0.00 0.00 34.83 32.67 1tk8 s MET 273 CO 0.54 0.55 0.81 0.12 1.05 0.00 0.00 175.02 178.09 1tk8 s PHE 274 N -0.91 3.60 0.02 4.11 5.36 -1.26 -4.83 117.98 124.06 1tk8 s PHE 274 Ca 0.32 1.42 0.08 0.00 -0.96 0.00 0.00 56.93 57.80 1tk8 s PHE 274 Cb -0.21 -2.94 -0.02 0.00 -0.34 0.00 0.00 43.02 39.51 1tk8 s PHE 274 CO 0.22 0.03 -0.25 0.00 -1.46 0.00 0.00 175.22 173.76 1tk8 n HIS 276 N 2.07 2.23 -0.09 0.00 -0.00 -0.86 -4.82 115.22 113.76 1tk8 n HIS 276 Ca -0.16 0.18 0.09 0.00 0.46 0.00 0.00 57.72 58.29 1tk8 n HIS 276 Cb 0.52 -2.58 0.45 0.00 -0.12 0.00 0.00 29.99 28.26 1tk8 n HIS 276 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1tk8 h PRO 277 N 7.44 0.50 0.00 1.57 0.11 -1.95 0.51 132.00 140.19 1tk8 h PRO 277 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1tk8 h PRO 277 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1tk8 h PRO 277 CO 0.91 0.33 -0.09 0.00 -0.21 0.00 0.00 178.00 178.95 1tk8 h ARG 278 N 0.52 0.00 -0.72 1.05 -0.00 -2.00 -3.41 114.38 109.82 1tk8 h ARG 278 Ca 0.26 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.74 1tk8 h ARG 278 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.28 1tk8 h ARG 278 CO -0.07 0.00 0.47 1.15 0.00 0.00 0.00 179.97 181.52 1tk8 h THR 279 N -0.23 1.19 0.00 2.04 2.02 -1.97 -3.46 112.91 112.50 1tk8 h THR 279 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1tk8 h THR 279 Cb 0.09 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1tk8 h THR 279 CO 0.00 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1tk8 n GLY 280 N -1.28 0.81 3.75 2.16 0.00 0.18 -4.97 105.19 105.84 1tk8 n GLY 280 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1tk8 n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tk8 s LYS 281 N -0.28 4.66 0.42 1.61 -2.85 -1.26 -4.50 119.74 117.54 1tk8 s LYS 281 Ca 0.00 1.70 -0.26 0.00 -1.00 0.00 0.00 55.97 56.41 1tk8 s LYS 281 Cb 0.00 -3.25 -0.10 0.00 -2.06 0.00 0.00 37.83 32.42 1tk8 s LYS 281 CO 0.00 0.21 1.35 -2.30 0.10 0.00 0.00 175.35 174.71 1tk8 n PRO 282 N 1.81 2.11 -3.33 1.78 -0.02 -1.26 -2.02 135.00 134.07 1tk8 n PRO 282 Ca 0.00 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 61.97 1tk8 n PRO 282 Cb 0.46 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 1tk8 n PRO 282 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1tk8 n LEU 283 N 0.12 2.98 -0.39 2.45 4.77 0.23 -4.90 117.00 122.26 1tk8 n LEU 283 Ca 0.06 -5.29 0.38 0.00 -0.03 0.00 0.00 56.01 51.13 1tk8 n LEU 283 Cb 0.40 -0.35 0.76 0.00 -2.33 0.00 0.00 43.42 41.90 1tk8 n LEU 283 CO 0.60 2.09 1.35 -0.65 -1.33 0.00 0.00 177.39 179.45 1tk8 h PRO 284 N 4.02 0.01 0.00 3.23 0.11 -1.94 0.18 132.00 137.61 1tk8 h PRO 284 Ca 0.16 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1tk8 h PRO 284 Cb 0.70 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1tk8 h PRO 284 CO 0.75 0.01 -0.09 0.87 -0.21 0.00 0.00 178.00 179.33 1tk8 h LYS 285 N 0.01 0.00 -6.88 1.05 1.79 -1.95 -3.44 116.57 107.15 1tk8 h LYS 285 Ca 0.64 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.63 1tk8 h LYS 285 Cb 2.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.17 1tk8 h LYS 285 CO -0.02 0.09 0.37 0.71 -1.08 0.00 0.00 179.45 179.51 1tk8 s TYR 286 N -3.45 3.63 0.44 -1.35 2.02 0.62 -4.99 117.35 114.28 1tk8 s TYR 286 Ca 0.03 1.76 -0.24 0.00 -0.37 0.00 0.00 57.07 58.26 1tk8 s TYR 286 Cb 0.08 -2.99 -0.10 0.00 -0.40 0.00 0.00 41.96 38.55 1tk8 s TYR 286 CO 0.62 0.02 1.06 -2.30 -1.57 0.00 0.00 175.55 173.37 1tk8 n PRO 287 N 0.56 1.41 -1.80 -1.71 -0.02 -1.26 -4.74 135.00 127.44 1tk8 n PRO 287 Ca 0.02 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.63 1tk8 n PRO 287 Cb 0.49 -2.13 0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1tk8 n PRO 287 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1tk8 s ARG 288 N -2.15 2.97 0.34 -0.52 1.81 -1.26 -4.58 118.95 115.56 1tk8 s ARG 288 Ca 0.64 2.14 0.00 0.00 -1.72 0.00 0.00 55.73 56.80 1tk8 s ARG 288 Cb -0.53 -2.11 -0.00 0.00 -0.45 0.00 0.00 34.95 31.86 1tk8 s ARG 288 CO 0.56 -1.30 0.00 0.44 -0.68 0.00 0.00 175.30 174.33 1tk8 n ILE 289 N -1.31 0.00 -3.66 1.52 -5.35 -0.60 -4.36 119.36 105.59 1tk8 n ILE 289 Ca 0.12 -1.62 -0.17 0.00 -0.27 0.00 0.00 62.75 60.81 1tk8 n ILE 289 Cb 0.46 0.33 -0.16 0.00 -1.74 0.00 0.00 39.64 38.54 1tk8 n ILE 289 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1tk8 s LYS 290 N -3.23 0.03 -0.52 6.28 2.36 -0.51 -1.96 119.74 122.20 1tk8 s LYS 290 Ca 0.01 0.51 -0.12 0.00 -2.55 0.00 0.00 55.97 53.82 1tk8 s LYS 290 Cb 0.00 -0.38 0.13 0.00 -1.05 0.00 0.00 37.83 36.53 1tk8 s LYS 290 CO 0.00 -0.34 0.43 0.99 1.55 0.00 0.00 175.35 177.99 1tk8 s THR 291 N 2.28 4.65 0.47 3.43 2.01 -1.26 -2.50 115.64 124.72 1tk8 s THR 291 Ca 0.03 -1.77 -0.22 0.00 0.31 0.00 0.00 61.69 60.05 1tk8 s THR 291 Cb -0.12 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1tk8 s THR 291 CO -0.06 -0.83 0.76 -0.81 -0.69 0.00 0.00 174.62 172.99 1tk8 n PRO 292 N 4.93 0.88 -0.07 4.92 -0.04 -1.26 -4.73 135.00 139.62 1tk8 n PRO 292 Ca -0.08 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1tk8 n PRO 292 Cb 0.41 -1.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 1tk8 n PRO 292 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tk8 n LYS 293 N 0.11 0.67 -4.41 0.54 5.02 -1.26 -2.02 118.16 116.81 1tk8 n LYS 293 Ca 0.11 0.14 -0.24 0.00 -2.02 0.00 0.00 58.31 56.30 1tk8 n LYS 293 Cb 0.42 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1tk8 n LYS 293 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1tk8 s VAL 294 N -2.54 2.78 0.00 -0.18 1.01 -1.26 -4.67 120.40 115.54 1tk8 s VAL 294 Ca -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1tk8 s VAL 294 Cb 0.07 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1tk8 s VAL 294 CO 0.79 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1tk8 n GLY 295 N -0.75 3.03 2.58 4.51 0.00 -1.26 -3.73 105.19 109.57 1tk8 n GLY 295 Ca -0.05 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1tk8 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk8 n GLY 296 N 0.87 1.93 0.27 -0.02 0.00 -1.24 0.10 105.19 107.10 1tk8 n GLY 296 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1tk8 n GLY 296 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tk8 h ILE 297 N 1.74 1.27 -1.66 -0.61 5.03 -1.90 -3.40 117.51 117.98 1tk8 h ILE 297 Ca -0.22 -1.40 -0.60 0.00 -0.12 0.00 0.00 64.86 62.52 1tk8 h ILE 297 Cb 0.89 1.24 -0.11 0.00 -3.03 0.00 0.00 36.82 35.81 1tk8 h ILE 297 CO 0.29 0.47 -0.56 -0.36 -0.68 0.00 0.00 178.15 177.30 1tk8 s PHE 298 N -4.56 2.55 0.38 1.37 0.40 -1.26 -1.04 117.98 115.82 1tk8 s PHE 298 Ca -0.10 -0.62 -0.05 0.00 -0.60 0.00 0.00 56.93 55.56 1tk8 s PHE 298 Cb 0.13 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 1tk8 s PHE 298 CO 0.85 0.35 0.67 0.15 0.70 0.00 0.00 175.22 177.94 1tk8 s LYS 299 N -3.78 3.61 0.37 0.44 1.02 0.30 -4.51 119.74 117.18 1tk8 s LYS 299 Ca 0.37 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.18 1tk8 s LYS 299 Cb 0.07 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 1tk8 s LYS 299 CO 0.20 0.02 1.44 -1.59 -0.92 0.00 0.00 175.35 174.50 1tk8 s LYS 300 N -4.12 4.15 0.24 1.68 0.00 -1.26 -4.53 119.74 115.90 1tk8 s LYS 300 Ca 0.46 2.49 -0.31 0.00 0.00 0.00 0.00 55.97 58.60 1tk8 s LYS 300 Cb -0.10 -2.98 -0.13 0.00 0.00 0.00 0.00 37.83 34.61 1tk8 s LYS 300 CO 0.36 -0.46 1.42 -0.35 0.00 0.00 0.00 175.35 176.32 1tk8 n PRO 301 N 0.51 2.08 -0.04 1.78 -0.04 -1.26 -4.90 135.00 133.13 1tk8 n PRO 301 Ca 0.01 0.74 -0.00 0.00 -0.04 0.00 0.00 63.50 64.21 1tk8 n PRO 301 Cb 0.40 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 1tk8 n PRO 301 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tk8 n LYS 302 N 2.05 1.13 -3.11 0.54 5.02 -1.26 -4.90 118.16 117.62 1tk8 n LYS 302 Ca 0.11 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.15 1tk8 n LYS 302 Cb 0.32 -1.36 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1tk8 n LYS 302 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1tk8 s ASN 303 N -4.25 5.46 -0.06 4.39 0.01 -1.26 -5.01 114.94 114.22 1tk8 s ASN 303 Ca -0.06 -0.55 -0.14 0.00 -0.71 0.00 0.00 52.86 51.39 1tk8 s ASN 303 Cb 0.07 -0.48 -0.10 0.00 0.41 0.00 0.00 41.25 41.15 1tk8 s ASN 303 CO 0.60 -0.84 0.57 0.50 -1.51 0.00 0.00 177.10 176.42 1tk8 h LYS 304 N 0.63 -0.28 -0.72 -0.60 3.64 -1.97 -2.37 116.57 114.90 1tk8 h LYS 304 Ca -0.39 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1tk8 h LYS 304 Cb 1.28 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1tk8 h LYS 304 CO 0.46 -0.03 0.32 0.00 -2.27 0.00 0.00 179.45 177.94 1tk8 h ALA 305 N -0.79 0.93 -0.04 5.00 0.00 -1.98 -0.60 119.26 121.78 1tk8 h ALA 305 Ca -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1tk8 h ALA 305 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1tk8 h ALA 305 CO 0.05 0.51 0.04 0.37 0.00 0.00 0.00 179.25 180.22 1tk8 h GLN 306 N 1.01 0.00 -0.01 0.00 4.15 -1.81 0.54 115.11 119.01 1tk8 h GLN 306 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1tk8 h GLN 306 Cb 0.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1tk8 h GLN 306 CO -0.03 0.00 -0.02 -2.13 -1.93 0.00 0.00 178.83 174.73 1tk8 n ARG 307 N -4.19 1.19 0.00 1.69 0.63 -0.26 -3.42 116.66 112.30 1tk8 n ARG 307 Ca -0.02 -0.39 0.01 0.00 -0.92 0.00 0.00 57.85 56.53 1tk8 n ARG 307 Cb 0.13 -1.49 -0.00 0.00 0.45 0.00 0.00 32.46 31.55 1tk8 n ARG 307 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1tk8 n GLU 308 N -0.57 2.89 -0.18 -0.14 1.02 0.17 -5.00 120.64 118.84 1tk8 n GLU 308 Ca 0.21 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1tk8 n GLU 308 Cb 0.23 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1tk8 n GLU 308 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tk8 n GLY 309 N 0.58 1.62 0.08 0.62 0.00 -0.52 -5.02 105.19 102.55 1tk8 n GLY 309 Ca 0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1tk8 n GLY 309 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tk8 h ARG 310 N 0.00 0.00 -5.95 1.61 3.08 -1.31 -3.47 114.38 108.35 1tk8 h ARG 310 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 1tk8 h ARG 310 Cb 0.08 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.83 1tk8 h ARG 310 CO 0.00 0.63 -0.86 -1.21 -1.07 0.00 0.00 179.97 177.46 1tk8 s GLU 311 N -2.19 2.66 0.39 0.04 2.02 -1.26 -4.96 118.70 115.39 1tk8 s GLU 311 Ca -0.20 -0.86 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 1tk8 s GLU 311 Cb 0.02 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 1tk8 s GLU 311 CO 0.45 0.38 1.28 -2.30 0.02 0.00 0.00 175.26 175.09 1tk8 n PRO 312 N 2.96 2.04 -1.28 0.39 -0.02 -1.26 -4.57 135.00 133.26 1tk8 n PRO 312 Ca -0.18 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 1tk8 n PRO 312 Cb 0.52 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1tk8 n PRO 312 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tk8 s GLU 314 N -4.94 4.39 0.44 0.00 2.02 -1.26 -4.79 118.70 114.56 1tk8 s GLU 314 Ca 0.61 2.13 -0.24 0.00 0.02 0.00 0.00 54.97 57.49 1tk8 s GLU 314 Cb -0.17 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 1tk8 s GLU 314 CO 0.56 -0.19 1.24 -0.51 0.02 0.00 0.00 175.26 176.38 1tk8 s LEU 315 N -1.10 4.10 -0.73 1.80 1.43 -1.26 0.11 118.68 123.03 1tk8 s LEU 315 Ca 0.52 2.50 -0.20 0.00 -1.03 0.00 0.00 54.13 55.92 1tk8 s LEU 315 Cb -0.38 -4.08 0.11 0.00 0.03 0.00 0.00 46.19 41.87 1tk8 s LEU 315 CO 0.46 -0.93 0.92 -0.62 0.23 0.00 0.00 176.35 176.41 1tk8 s ASP 316 N -1.03 6.35 0.60 2.29 3.68 -0.21 -4.57 116.67 123.78 1tk8 s ASP 316 Ca 0.61 -1.55 0.31 0.00 2.13 0.00 0.00 52.55 54.05 1tk8 s ASP 316 Cb -0.34 -2.36 1.77 0.00 -1.45 0.00 0.00 42.92 40.54 1tk8 s ASP 316 CO 0.42 -1.17 2.14 0.74 0.13 0.00 0.00 175.17 177.43 1tk8 h THR 317 N 5.84 0.39 0.00 1.71 2.02 -1.91 -3.39 112.91 117.58 1tk8 h THR 317 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1tk8 h THR 317 Cb 1.06 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1tk8 h THR 317 CO 1.11 0.00 0.00 0.54 0.37 0.00 0.00 175.52 177.54 1tk8 n ARG 318 N -3.65 0.00 0.00 6.66 1.74 -1.26 -4.88 116.66 115.27 1tk8 n ARG 318 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1tk8 n ARG 318 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 1tk8 n ARG 318 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1tk8 n GLU 319 N 0.00 0.00 -4.19 5.56 2.13 -1.26 -5.15 120.64 117.73 1tk8 n GLU 319 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 1tk8 n GLU 319 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1tk8 n GLU 319 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1tk8 s TYR 320 N 0.00 2.60 -0.06 4.31 2.02 -1.26 -5.13 117.35 119.84 1tk8 s TYR 320 Ca 0.00 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1tk8 s TYR 320 Cb 0.00 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 1tk8 s TYR 320 CO 0.00 0.27 0.01 0.08 -1.57 0.00 0.00 175.55 174.34 1tk8 s VAL 321 N -2.57 0.25 -0.04 0.71 1.01 -1.26 -3.65 120.40 114.85 1tk8 s VAL 321 Ca 0.39 0.16 -0.37 0.00 0.00 0.00 0.00 61.98 62.16 1tk8 s VAL 321 Cb 0.03 -0.41 -0.16 0.00 0.00 0.00 0.00 36.38 35.84 1tk8 s VAL 321 CO 0.22 0.22 1.55 0.00 0.00 0.00 0.00 175.10 177.09 1tk8 n ALA 322 N 4.93 -0.31 0.00 5.51 0.00 0.28 -1.08 120.51 129.85 1tk8 n ALA 322 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1tk8 n ALA 322 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1tk8 n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk8 n GLY 323 N 3.34 3.24 3.51 0.00 0.00 -0.86 -5.01 105.19 109.40 1tk8 n GLY 323 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1tk8 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 s ALA 324 N -2.41 2.97 0.55 4.61 0.00 -0.24 -4.93 121.76 122.31 1tk8 s ALA 324 Ca 0.00 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 1tk8 s ALA 324 Cb 0.00 -4.01 -0.06 0.00 0.00 0.00 0.00 23.12 19.05 1tk8 s ALA 324 CO 0.00 -2.93 1.13 -1.25 0.00 0.00 0.00 175.76 172.71 1tk8 s PRO 325 N 4.76 3.34 0.11 0.00 0.04 -1.26 -4.41 135.00 137.57 1tk8 s PRO 325 Ca 0.29 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.79 1tk8 s PRO 325 Cb -0.12 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1tk8 s PRO 325 CO 0.14 -0.86 0.32 1.52 0.04 0.00 0.00 177.00 178.16 1tk8 s TYR 326 N -1.81 -0.07 -0.32 0.56 1.13 -1.04 -4.98 117.35 110.82 1tk8 s TYR 326 Ca 0.72 -0.29 -0.13 0.00 -1.41 0.00 0.00 57.07 55.96 1tk8 s TYR 326 Cb -0.23 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.73 1tk8 s TYR 326 CO 0.28 -0.64 0.27 0.99 -2.51 0.00 0.00 175.55 173.93 1tk8 s THR 327 N -3.81 5.26 0.27 -3.49 2.01 -1.26 -1.42 115.64 113.20 1tk8 s THR 327 Ca 0.04 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1tk8 s THR 327 Cb 0.03 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1tk8 s THR 327 CO -0.12 0.05 1.34 -2.84 -0.69 0.00 0.00 174.62 172.36 1tk8 s PRO 328 N 1.83 4.34 0.10 4.92 0.02 -1.26 -4.95 135.00 140.00 1tk8 s PRO 328 Ca 0.08 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 1tk8 s PRO 328 Cb -0.17 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1tk8 s PRO 328 CO 0.11 -0.27 0.01 0.14 -0.33 0.00 0.00 177.00 176.66 1tk8 s VAL 329 N -0.46 0.21 0.08 3.83 -7.23 -1.25 -0.69 120.40 114.89 1tk8 s VAL 329 Ca 0.54 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 1tk8 s VAL 329 Cb -0.39 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1tk8 s VAL 329 CO 0.46 -0.70 -0.15 -1.83 -0.31 0.00 0.00 175.10 172.56 1tk8 s GLU 330 N -3.98 0.90 -0.23 4.82 -1.05 0.09 -4.76 118.70 114.49 1tk8 s GLU 330 Ca 0.17 -1.03 -0.19 0.00 -0.15 0.00 0.00 54.97 53.77 1tk8 s GLU 330 Cb 0.07 -0.94 -0.03 0.00 -0.44 0.00 0.00 34.13 32.80 1tk8 s GLU 330 CO -0.03 0.21 0.55 -1.58 0.95 0.00 0.00 175.26 175.36 1tk8 s HIS 331 N -1.35 3.33 -0.12 4.83 5.65 -1.26 -1.87 115.29 124.50 1tk8 s HIS 331 Ca 0.01 0.76 0.01 0.00 0.25 0.00 0.00 55.06 56.09 1tk8 s HIS 331 Cb -0.09 -2.73 -0.01 0.00 -1.18 0.00 0.00 32.58 28.56 1tk8 s HIS 331 CO 0.03 -0.20 -0.15 0.54 -0.65 0.00 0.00 174.74 174.30 1tk8 s VAL 332 N 2.02 2.83 -0.11 0.89 0.11 0.73 -4.97 120.40 121.90 1tk8 s VAL 332 Ca 0.24 -0.74 -0.13 0.00 -2.93 0.00 0.00 61.98 58.42 1tk8 s VAL 332 Cb -0.16 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.48 1tk8 s VAL 332 CO 0.09 0.53 0.29 -0.69 -3.33 0.00 0.00 175.10 172.00 1tk8 s VAL 333 N 0.32 5.27 0.03 2.04 1.01 -1.26 -1.23 120.40 126.57 1tk8 s VAL 333 Ca -0.12 0.55 -0.37 0.00 0.00 0.00 0.00 61.98 62.04 1tk8 s VAL 333 Cb -0.16 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.45 1tk8 s VAL 333 CO 0.06 0.50 1.44 0.33 0.00 0.00 0.00 175.10 177.43 1tk8 n PHE 334 N 2.71 1.69 -3.93 5.22 7.35 -1.26 -4.94 117.46 124.29 1tk8 n PHE 334 Ca -0.14 0.57 -0.34 0.00 -0.76 0.00 0.00 57.45 56.78 1tk8 n PHE 334 Cb 0.53 -2.38 -0.14 0.00 0.35 0.00 0.00 39.48 37.84 1tk8 n PHE 334 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1tk8 s ASN 335 N 1.11 4.88 0.63 -2.13 3.84 -1.26 -4.92 114.94 117.09 1tk8 s ASN 335 Ca 0.86 -1.77 0.32 0.00 0.21 0.00 0.00 52.86 52.49 1tk8 s ASN 335 Cb -0.94 -1.69 1.75 0.00 -0.55 0.00 0.00 41.25 39.82 1tk8 s ASN 335 CO 0.49 -0.36 1.98 -0.65 -2.79 0.00 0.00 177.10 175.77 1tk8 h PRO 336 N 7.86 0.00 -0.00 0.43 0.11 -1.98 0.29 132.00 138.71 1tk8 h PRO 336 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1tk8 h PRO 336 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tk8 h PRO 336 CO 0.56 0.00 -0.12 0.43 -0.21 0.00 0.00 178.00 178.67 1tk8 n SER 337 N -2.85 0.36 -4.47 -2.05 7.64 -1.26 -4.75 113.62 106.25 1tk8 n SER 337 Ca -0.02 -0.38 -0.43 0.00 1.01 0.00 0.00 58.87 59.05 1tk8 n SER 337 Cb 0.29 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 1tk8 n SER 337 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1tk8 s SER 338 N -2.59 6.20 0.48 6.43 0.15 0.10 -4.91 113.70 119.56 1tk8 s SER 338 Ca 0.26 -0.78 0.17 0.00 0.70 0.00 0.00 55.95 56.30 1tk8 s SER 338 Cb 0.20 -2.23 1.18 0.00 -1.71 0.00 0.00 66.02 63.45 1tk8 s SER 338 CO 0.50 -0.63 2.04 0.03 1.20 0.00 0.00 173.24 176.38 1tk8 h ARG 339 N 8.77 0.19 -0.12 5.44 2.47 -1.85 0.72 114.38 130.01 1tk8 h ARG 339 Ca -0.27 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.42 1tk8 h ARG 339 Cb 1.11 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1tk8 h ARG 339 CO 0.83 0.13 -0.01 0.22 0.56 0.00 0.00 179.97 181.70 1tk8 h ASP 340 N 0.20 0.21 -0.45 7.04 3.58 -1.94 -0.97 116.42 124.08 1tk8 h ASP 340 Ca 0.17 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1tk8 h ASP 340 Cb 0.43 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1tk8 h ASP 340 CO -0.03 0.49 0.24 0.45 -2.88 0.00 0.00 179.24 177.52 1tk8 h HIS 341 N -0.08 0.63 -0.48 0.28 3.86 -1.45 -0.87 115.15 117.03 1tk8 h HIS 341 Ca 0.03 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1tk8 h HIS 341 Cb 0.39 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1tk8 h HIS 341 CO 0.04 0.48 0.32 0.82 0.86 0.00 0.00 177.93 180.45 1tk8 h ILE 342 N 0.60 1.12 -0.73 2.45 2.04 -0.86 -1.48 117.51 120.65 1tk8 h ILE 342 Ca 0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1tk8 h ILE 342 Cb 0.07 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1tk8 h ILE 342 CO -0.02 0.12 0.31 -0.61 0.00 0.00 0.00 178.15 177.95 1tk8 h GLN 343 N 0.65 1.08 0.28 2.37 -0.00 -0.95 -1.33 115.11 117.22 1tk8 h GLN 343 Ca 0.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1tk8 h GLN 343 Cb -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.23 1tk8 h GLN 343 CO -0.04 0.87 -0.13 -0.22 0.00 0.00 0.00 178.83 179.31 1tk8 h LYS 344 N 1.04 -0.36 -0.63 1.69 3.64 -0.78 -2.06 116.57 119.11 1tk8 h LYS 344 Ca 0.25 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1tk8 h LYS 344 Cb 0.18 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1tk8 h LYS 344 CO -0.02 -0.19 0.26 0.87 -2.27 0.00 0.00 179.45 178.09 1tk8 h LYS 345 N -0.44 0.94 -0.34 1.90 1.79 -1.19 -2.24 116.57 116.98 1tk8 h LYS 345 Ca -0.04 -0.17 -0.10 0.00 -2.18 0.00 0.00 60.65 58.16 1tk8 h LYS 345 Cb 0.34 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1tk8 h LYS 345 CO 0.06 0.79 -0.21 -0.07 -1.08 0.00 0.00 179.45 178.94 1tk8 h LEU 346 N 0.88 0.66 -0.83 2.94 3.38 -1.22 -2.43 115.31 118.69 1tk8 h LEU 346 Ca 0.21 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1tk8 h LEU 346 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1tk8 h LEU 346 CO -0.02 0.87 -0.57 1.56 0.09 0.00 0.00 178.44 180.37 1tk8 h GLN 347 N 0.58 0.05 0.00 1.13 4.20 -1.28 -1.19 115.11 118.60 1tk8 h GLN 347 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1tk8 h GLN 347 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1tk8 h GLN 347 CO 0.05 0.61 0.00 0.39 -0.67 0.00 0.00 178.83 179.21 1tk8 n GLU 348 N -3.87 0.20 -0.20 1.46 1.02 -0.85 -1.67 120.64 116.72 1tk8 n GLU 348 Ca -0.01 0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 1tk8 n GLU 348 Cb 0.58 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.68 1tk8 n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tk8 n ALA 349 N -1.34 2.26 0.00 0.62 0.00 -0.54 -4.97 120.51 116.55 1tk8 n ALA 349 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1tk8 n ALA 349 Cb 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1tk8 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk8 n GLY 350 N 0.85 1.91 3.72 0.00 0.00 -0.67 -4.24 105.19 106.76 1tk8 n GLY 350 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1tk8 n GLY 350 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1tk8 s TRP 351 N -2.38 2.95 -0.40 1.61 -0.00 -0.67 -4.97 118.94 115.07 1tk8 s TRP 351 Ca 0.00 0.45 -0.04 0.00 -0.00 0.00 0.00 56.10 56.51 1tk8 s TRP 351 Cb 0.00 -4.05 0.10 0.00 -0.00 0.00 0.00 33.47 29.52 1tk8 s TRP 351 CO 0.00 -3.96 0.20 0.08 -0.00 0.00 0.00 176.95 173.26 1tk8 s VAL 352 N 1.20 3.41 0.28 5.86 1.01 -1.26 -4.27 120.40 126.62 1tk8 s VAL 352 Ca 0.73 -1.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 1tk8 s VAL 352 Cb -0.47 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 1tk8 s VAL 352 CO 0.32 -0.62 1.32 -2.65 0.00 0.00 0.00 175.10 173.47 1tk8 n PRO 353 N 4.65 1.98 -0.14 2.72 -0.02 -1.26 -4.95 135.00 137.98 1tk8 n PRO 353 Ca -0.04 0.70 -0.28 0.00 -2.02 0.00 0.00 63.50 61.85 1tk8 n PRO 353 Cb 0.42 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 1tk8 n PRO 353 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1tk8 n THR 354 N 1.19 1.53 -4.48 3.45 -1.04 -1.26 -4.98 114.28 108.68 1tk8 n THR 354 Ca 0.09 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.35 1tk8 n THR 354 Cb 0.33 -1.82 -0.11 0.00 -1.82 0.00 0.00 70.33 66.91 1tk8 n THR 354 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1tk8 s LYS 355 N -2.51 3.01 0.35 -2.82 -2.85 -1.26 -5.09 119.74 108.56 1tk8 s LYS 355 Ca -0.38 -0.48 0.07 0.00 -1.00 0.00 0.00 55.97 54.17 1tk8 s LYS 355 Cb 0.14 -2.73 -0.07 0.00 -2.06 0.00 0.00 37.83 33.11 1tk8 s LYS 355 CO 0.51 0.61 -0.03 0.71 0.10 0.00 0.00 175.35 177.24 1tk8 s TYR 356 N -0.64 2.26 0.69 1.78 1.51 -1.26 -1.69 117.35 120.00 1tk8 s TYR 356 Ca 0.10 -0.67 -0.09 0.00 -1.01 0.00 0.00 57.07 55.39 1tk8 s TYR 356 Cb -0.12 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1tk8 s TYR 356 CO 0.02 0.38 1.04 0.95 -1.11 0.00 0.00 175.55 176.83 1tk8 s THR 357 N -2.85 3.17 -2.00 -0.71 -4.23 0.26 -4.74 115.64 104.55 1tk8 s THR 357 Ca 0.33 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 61.15 1tk8 s THR 357 Cb 0.06 -3.34 0.35 0.00 1.34 0.00 0.00 72.50 70.91 1tk8 s THR 357 CO 0.16 -0.42 1.17 0.47 -0.54 0.00 0.00 174.62 175.46 1tk8 n ASP 358 N -2.92 0.00 -0.08 3.99 8.00 -1.26 -1.32 116.55 122.96 1tk8 n ASP 358 Ca 0.06 -0.41 0.05 0.00 0.71 0.00 0.00 54.79 55.20 1tk8 n ASP 358 Cb 0.58 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1tk8 n ASP 358 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1tk8 n LYS 359 N -0.99 3.22 0.00 -1.24 4.81 -1.26 -5.01 118.16 117.69 1tk8 n LYS 359 Ca 0.09 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1tk8 n LYS 359 Cb 0.04 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1tk8 n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tk8 n GLY 360 N 1.12 2.63 3.77 3.14 0.00 -0.44 -5.09 105.19 110.32 1tk8 n GLY 360 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1tk8 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 s ALA 361 N -2.38 3.28 0.31 4.61 0.00 -1.26 -4.66 121.76 121.65 1tk8 s ALA 361 Ca 0.00 0.70 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1tk8 s ALA 361 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1tk8 s ALA 361 CO 0.00 0.00 1.20 -1.25 0.00 0.00 0.00 175.76 175.71 1tk8 s PRO 362 N -1.73 4.49 0.09 0.00 0.04 -1.26 0.92 135.00 137.55 1tk8 s PRO 362 Ca 0.48 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 1tk8 s PRO 362 Cb -0.25 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 1tk8 s PRO 362 CO 0.32 0.01 1.41 0.08 0.04 0.00 0.00 177.00 178.86 1tk8 s VAL 363 N -1.16 3.38 -0.53 -0.36 1.01 -0.68 -4.79 120.40 117.27 1tk8 s VAL 363 Ca 0.47 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1tk8 s VAL 363 Cb -0.35 -3.61 0.24 0.00 0.00 0.00 0.00 36.38 32.66 1tk8 s VAL 363 CO 0.46 0.05 0.62 0.52 0.00 0.00 0.00 175.10 176.76 1tk8 n VAL 364 N 4.14 0.87 -4.08 2.92 0.31 -1.26 -4.87 118.33 116.36 1tk8 n VAL 364 Ca 0.12 -4.61 -0.27 0.00 -0.01 0.00 0.00 64.34 59.57 1tk8 n VAL 364 Cb 0.42 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.31 1tk8 n VAL 364 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1tk8 s ASP 365 N -1.75 4.52 0.43 4.52 1.47 -1.26 -4.96 116.67 119.63 1tk8 s ASP 365 Ca 0.37 -1.31 0.14 0.00 1.18 0.00 0.00 52.55 52.93 1tk8 s ASP 365 Cb 0.14 0.36 1.02 0.00 -0.34 0.00 0.00 42.92 44.10 1tk8 s ASP 365 CO -0.07 -1.01 1.94 -0.78 0.68 0.00 0.00 175.17 175.94 1tk8 h ASP 366 N 0.93 0.40 0.78 2.11 3.58 -1.99 -1.98 116.42 120.24 1tk8 h ASP 366 Ca -0.39 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.04 1tk8 h ASP 366 Cb 1.30 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.29 1tk8 h ASP 366 CO 0.62 0.22 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.50 1tk8 h GLU 367 N 0.43 -1.00 -0.03 0.28 5.08 -1.99 -2.04 114.58 115.30 1tk8 h GLU 367 Ca 0.33 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1tk8 h GLU 367 Cb 0.70 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1tk8 h GLU 367 CO -0.10 -0.66 0.02 -0.39 -1.00 0.00 0.00 179.01 176.87 1tk8 h VAL 368 N -1.09 1.06 -0.81 3.13 -1.51 -1.83 -2.62 116.25 112.59 1tk8 h VAL 368 Ca -0.11 -0.17 0.18 0.00 -1.23 0.00 0.00 66.70 65.37 1tk8 h VAL 368 Cb 0.81 1.11 -0.11 0.00 -2.13 0.00 0.00 31.29 30.97 1tk8 h VAL 368 CO 0.18 0.05 0.30 -0.07 -1.23 0.00 0.00 177.57 176.80 1tk8 h LEU 369 N -0.02 0.23 -1.17 4.19 3.38 -1.40 0.56 115.31 121.08 1tk8 h LEU 369 Ca 0.01 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1tk8 h LEU 369 Cb 0.06 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1tk8 h LEU 369 CO -0.00 0.03 0.57 -0.08 0.09 0.00 0.00 178.44 179.05 1tk8 h GLU 370 N 0.39 1.01 -0.01 1.13 4.57 -1.03 -2.48 114.58 118.15 1tk8 h GLU 370 Ca 0.47 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1tk8 h GLU 370 Cb 0.81 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1tk8 h GLU 370 CO -0.48 0.67 -0.10 0.41 -1.18 0.00 0.00 179.01 178.32 1tk8 n GLY 371 N -1.40 -0.18 3.76 1.92 0.00 0.18 -4.93 105.19 104.53 1tk8 n GLY 371 Ca 0.12 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1tk8 n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tk8 s VAL 372 N -2.19 2.98 -0.08 1.61 1.01 -0.02 -5.03 120.40 118.68 1tk8 s VAL 372 Ca 0.32 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1tk8 s VAL 372 Cb 0.20 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1tk8 s VAL 372 CO 0.41 0.23 0.03 -0.13 0.00 0.00 0.00 175.10 175.63 1tk8 s ARG 373 N -1.59 0.40 0.09 2.72 1.81 -1.26 -5.05 118.95 116.07 1tk8 s ARG 373 Ca 0.48 0.12 0.07 0.00 -1.72 0.00 0.00 55.73 54.68 1tk8 s ARG 373 Cb -0.37 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.09 1tk8 s ARG 373 CO 0.48 -0.36 -0.19 0.14 -0.68 0.00 0.00 175.30 174.69 1tk8 s VAL 374 N 2.02 1.58 0.08 3.52 -7.23 -1.26 -4.59 120.40 114.53 1tk8 s VAL 374 Ca 0.04 -1.43 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1tk8 s VAL 374 Cb -0.13 -1.44 -0.16 0.00 0.56 0.00 0.00 36.38 35.22 1tk8 s VAL 374 CO -0.05 -0.04 1.67 0.44 -0.31 0.00 0.00 175.10 176.81 1tk8 h ASP 375 N 4.27 -0.47 -1.83 4.85 3.32 -1.97 -3.42 116.42 121.17 1tk8 h ASP 375 Ca -0.44 0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.02 1tk8 h ASP 375 Cb 1.18 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.87 1tk8 h ASP 375 CO 0.40 -0.31 1.27 -0.67 -1.72 0.00 0.00 179.24 178.22 1tk8 n ASP 376 N -5.32 3.17 0.26 6.45 2.03 -1.26 -4.86 116.55 117.03 1tk8 n ASP 376 Ca -0.10 0.66 0.09 0.00 0.52 0.00 0.00 54.79 55.96 1tk8 n ASP 376 Cb 0.23 -1.40 0.67 0.00 -0.72 0.00 0.00 41.12 39.90 1tk8 n ASP 376 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tk8 h PRO 377 N 11.41 0.00 -0.26 -0.67 0.13 -1.99 -1.49 132.00 139.13 1tk8 h PRO 377 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 1tk8 h PRO 377 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1tk8 h PRO 377 CO 0.97 0.02 -0.54 1.49 -0.23 0.00 0.00 178.00 179.70 1tk8 h GLU 378 N 0.00 0.82 -0.08 0.86 4.81 -1.96 -2.39 114.58 116.65 1tk8 h GLU 378 Ca -0.00 -0.54 -0.18 0.00 -0.13 0.00 0.00 59.36 58.51 1tk8 h GLU 378 Cb 0.04 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1tk8 h GLU 378 CO 0.00 1.17 -0.70 0.87 -0.73 0.00 0.00 179.01 179.62 1tk8 h LYS 379 N 0.59 0.37 -0.94 1.92 1.57 -1.89 -1.67 116.57 116.52 1tk8 h LYS 379 Ca 0.01 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1tk8 h LYS 379 Cb 1.16 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1tk8 h LYS 379 CO 0.12 0.93 0.62 0.37 -0.57 0.00 0.00 179.45 180.92 1tk8 h GLN 380 N 0.26 1.21 0.00 3.15 5.75 -1.23 -1.61 115.11 122.64 1tk8 h GLN 380 Ca -0.02 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 1tk8 h GLN 380 Cb 1.27 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1tk8 h GLN 380 CO 0.12 0.80 -0.65 0.00 -2.65 0.00 0.00 178.83 176.45 1tk8 h ALA 381 N 1.36 0.92 0.00 3.38 0.00 -1.27 -2.98 119.26 120.66 1tk8 h ALA 381 Ca 0.35 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tk8 h ALA 381 Cb -0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1tk8 h ALA 381 CO -0.09 0.81 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 1tk8 h ALA 382 N 1.35 1.38 -0.41 0.00 0.00 -0.33 -1.86 119.26 119.39 1tk8 h ALA 382 Ca -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tk8 h ALA 382 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1tk8 h ALA 382 CO 0.08 0.11 0.25 0.82 0.00 0.00 0.00 179.25 180.51 1tk8 h ILE 383 N 0.00 1.12 -0.29 0.00 2.04 -1.32 -1.11 117.51 117.94 1tk8 h ILE 383 Ca -0.00 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1tk8 h ILE 383 Cb 0.24 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1tk8 h ILE 383 CO 0.01 0.13 -0.34 0.44 0.00 0.00 0.00 178.15 178.39 1tk8 h ASP 384 N 0.57 0.80 -0.19 1.72 3.32 -1.51 -2.35 116.42 118.78 1tk8 h ASP 384 Ca 0.15 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1tk8 h ASP 384 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1tk8 h ASP 384 CO -0.03 1.13 0.10 -0.07 -1.72 0.00 0.00 179.24 178.65 1tk8 h LEU 385 N 0.49 0.27 -0.29 1.55 3.38 -1.38 -0.37 115.31 118.97 1tk8 h LEU 385 Ca 0.04 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1tk8 h LEU 385 Cb 0.92 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1tk8 h LEU 385 CO 0.08 0.24 -0.48 0.40 0.09 0.00 0.00 178.44 178.77 1tk8 h ILE 386 N 0.31 1.28 -0.23 1.22 2.04 -1.04 -0.00 117.51 121.09 1tk8 h ILE 386 Ca 0.08 -1.67 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1tk8 h ILE 386 Cb 0.05 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1tk8 h ILE 386 CO -0.01 0.54 0.05 0.11 0.00 0.00 0.00 178.15 178.84 1tk8 h LYS 387 N 0.60 0.37 -0.73 2.37 1.57 -0.83 -0.37 116.57 119.55 1tk8 h LYS 387 Ca 0.02 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1tk8 h LYS 387 Cb 1.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.32 1tk8 h LYS 387 CO 0.11 0.50 0.48 1.49 -0.57 0.00 0.00 179.45 181.46 1tk8 h GLU 388 N 0.19 0.95 -0.28 3.15 4.81 -1.06 -2.16 114.58 120.18 1tk8 h GLU 388 Ca 0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1tk8 h GLU 388 Cb 0.30 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1tk8 h GLU 388 CO 0.00 0.63 0.18 -0.92 -0.73 0.00 0.00 179.01 178.17 1tk8 h TYR 389 N 0.98 0.36 -0.87 0.92 5.03 -0.68 0.27 116.97 122.99 1tk8 h TYR 389 Ca 0.27 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.62 1tk8 h TYR 389 Cb -0.11 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.00 1tk8 h TYR 389 CO -0.02 0.25 0.57 -0.07 -1.32 0.00 0.00 178.16 177.56 1tk8 h LEU 390 N 0.37 0.93 -0.18 2.82 3.38 -0.79 -0.58 115.31 121.26 1tk8 h LEU 390 Ca 0.10 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1tk8 h LEU 390 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1tk8 h LEU 390 CO -0.02 0.64 -0.27 -0.03 0.09 0.00 0.00 178.44 178.85 1tk8 h MET 391 N 1.08 0.50 -0.84 1.13 4.05 -0.74 -2.27 114.93 117.84 1tk8 h MET 391 Ca 0.34 -0.30 0.08 0.00 -0.28 0.00 0.00 59.70 59.55 1tk8 h MET 391 Cb 0.02 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.78 1tk8 h MET 391 CO -0.10 0.90 0.49 0.82 0.23 0.00 0.00 176.91 179.25 1tk8 h ILE 392 N 0.15 0.95 -0.61 1.77 1.08 0.14 -1.53 117.51 119.47 1tk8 h ILE 392 Ca 0.02 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 1tk8 h ILE 392 Cb 0.85 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1tk8 h ILE 392 CO 0.06 0.16 0.28 1.56 -0.69 0.00 0.00 178.15 179.52 1tk8 h GLN 393 N 0.85 0.89 -0.57 2.37 1.08 -1.02 -0.11 115.11 118.60 1tk8 h GLN 393 Ca 0.39 -0.14 0.10 0.00 -1.45 0.00 0.00 58.65 57.55 1tk8 h GLN 393 Cb 0.31 -0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 27.50 1tk8 h GLN 393 CO -0.22 0.73 0.16 -0.22 -0.95 0.00 0.00 178.83 178.32 1tk8 h LYS 394 N 0.84 0.30 -0.35 1.46 1.63 -0.70 0.42 116.57 120.16 1tk8 h LYS 394 Ca 0.21 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.83 1tk8 h LYS 394 Cb 0.14 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1tk8 h LYS 394 CO -0.02 0.20 -0.42 0.00 -3.45 0.00 0.00 179.45 175.75 1tk8 h ARG 395 N 0.30 0.90 -0.35 1.90 2.47 -0.89 -2.62 114.38 116.10 1tk8 h ARG 395 Ca 0.29 -0.50 -0.09 0.00 -1.26 0.00 0.00 59.98 58.42 1tk8 h ARG 395 Cb 0.40 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1tk8 h ARG 395 CO -0.34 1.15 -0.13 0.82 0.56 0.00 0.00 179.97 182.02 1tk8 h ILE 396 N 0.70 1.28 -0.45 2.04 2.04 -0.43 -1.10 117.51 121.60 1tk8 h ILE 396 Ca 0.05 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1tk8 h ILE 396 Cb 1.02 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1tk8 h ILE 396 CO 0.10 0.40 0.29 1.23 0.00 0.00 0.00 178.15 180.18 1tk8 h GLY 397 N 0.49 0.63 1.77 5.37 0.00 -0.20 0.42 103.07 111.54 1tk8 h GLY 397 Ca 0.08 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 1tk8 h GLY 397 CO 0.04 0.23 -0.74 -1.61 0.00 0.00 0.00 176.54 174.46 1tk8 h GLN 398 N 0.60 0.22 0.08 4.80 4.15 -1.46 0.46 115.11 123.96 1tk8 h GLN 398 Ca 0.17 -0.20 -0.35 0.00 0.77 0.00 0.00 58.65 59.04 1tk8 h GLN 398 Cb -0.06 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1tk8 h GLN 398 CO -0.04 0.87 -1.98 -1.13 -1.93 0.00 0.00 178.83 174.62 1tk8 n SER 399 N -3.76 1.71 0.00 -0.69 3.41 -0.42 -2.12 113.62 111.75 1tk8 n SER 399 Ca -0.03 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1tk8 n SER 399 Cb 0.71 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1tk8 n SER 399 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tk8 n ALA 400 N -2.90 2.33 0.00 7.33 0.00 0.13 -2.28 120.51 125.12 1tk8 n ALA 400 Ca -0.29 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1tk8 n ALA 400 Cb 1.05 0.22 -0.11 0.00 0.00 0.00 0.00 19.45 20.61 1tk8 n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk8 n GLU 401 N -2.20 0.65 -0.54 0.00 1.02 -0.14 -4.72 120.64 114.72 1tk8 n GLU 401 Ca 0.00 0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1tk8 n GLU 401 Cb 0.22 -1.66 0.24 0.00 -0.02 0.00 0.00 31.44 30.22 1tk8 n GLU 401 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tk8 s GLY 402 N -4.80 1.58 0.39 0.62 0.00 0.16 -4.86 107.32 100.41 1tk8 s GLY 402 Ca -0.06 0.08 0.13 0.00 0.00 0.00 0.00 44.72 44.87 1tk8 s GLY 402 CO 0.84 0.73 1.88 -0.55 0.00 0.00 0.00 173.10 176.00 1tk8 h ASP 403 N -2.50 0.02 -0.54 1.64 5.19 -1.94 -2.45 116.42 115.84 1tk8 h ASP 403 Ca -0.57 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 55.65 1tk8 h ASP 403 Cb 1.32 -0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.71 1tk8 h ASP 403 CO 0.47 0.32 0.15 0.29 -3.12 0.00 0.00 179.24 177.36 1tk8 n LYS 404 N -4.18 2.86 -1.70 3.56 4.76 -1.26 -4.97 118.16 117.23 1tk8 n LYS 404 Ca -0.02 -3.05 -0.41 0.00 -2.87 0.00 0.00 58.31 51.96 1tk8 n LYS 404 Cb 0.35 -2.01 0.01 0.00 -1.84 0.00 0.00 35.03 31.54 1tk8 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tk8 n ALA 405 N -0.61 1.34 -0.20 7.82 0.00 -0.93 -4.57 120.51 123.36 1tk8 n ALA 405 Ca 0.36 0.28 0.01 0.00 0.00 0.00 0.00 53.44 54.09 1tk8 n ALA 405 Cb 1.20 -2.27 0.12 0.00 0.00 0.00 0.00 19.45 18.49 1tk8 n ALA 405 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1tk8 h TRP 406 N 2.18 0.25 0.00 0.00 6.55 -1.39 -0.24 115.95 123.31 1tk8 h TRP 406 Ca -0.48 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.40 1tk8 h TRP 406 Cb 1.29 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 29.58 1tk8 h TRP 406 CO 0.48 -0.01 -0.00 -0.07 -1.05 0.00 0.00 178.44 177.79 1tk8 h LEU 407 N 0.29 0.00 -0.14 -4.49 3.38 -1.76 0.00 115.31 112.60 1tk8 h LEU 407 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1tk8 h LEU 407 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1tk8 h LEU 407 CO -0.39 0.00 -0.41 0.54 0.09 0.00 0.00 178.44 178.27 1tk8 n ARG 408 N -3.09 0.24 -0.00 1.13 1.74 -0.12 -4.18 116.66 112.38 1tk8 n ARG 408 Ca -0.02 -0.14 0.05 0.00 -0.77 0.00 0.00 57.85 56.97 1tk8 n ARG 408 Cb 0.13 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 1tk8 n ARG 408 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1tk8 n TYR 409 N -1.26 0.00 -1.75 -1.55 4.01 -0.07 -4.99 117.16 111.55 1tk8 n TYR 409 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 1tk8 n TYR 409 Cb 0.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.33 1tk8 n TYR 409 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1tk8 s VAL 410 N -2.01 2.01 0.59 -0.72 -7.23 -0.87 -4.49 120.40 107.66 1tk8 s VAL 410 Ca 0.03 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.27 1tk8 s VAL 410 Cb 0.08 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 34.09 1tk8 s VAL 410 CO 0.42 0.00 0.81 0.00 -0.31 0.00 0.00 175.10 176.02 1tk8 s ALA 411 N 0.01 4.38 0.43 1.32 0.00 -0.17 -4.96 121.76 122.77 1tk8 s ALA 411 Ca 0.64 -1.91 0.10 0.00 0.00 0.00 0.00 51.96 50.78 1tk8 s ALA 411 Cb -0.48 -1.66 0.95 0.00 0.00 0.00 0.00 23.12 21.92 1tk8 s ALA 411 CO 0.48 -0.91 2.04 0.93 0.00 0.00 0.00 175.76 178.30 1tk8 h GLU 412 N 0.07 0.45 -0.16 0.00 4.39 -1.94 -1.20 114.58 116.19 1tk8 h GLU 412 Ca -0.34 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1tk8 h GLU 412 Cb 1.28 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1tk8 h GLU 412 CO 0.42 0.30 0.00 -0.40 -1.16 0.00 0.00 179.01 178.17 1tk8 n ASP 413 N -4.48 0.16 -0.59 1.42 5.68 -1.26 -4.83 116.55 112.65 1tk8 n ASP 413 Ca 0.05 -1.62 -0.08 0.00 -0.50 0.00 0.00 54.79 52.64 1tk8 n ASP 413 Cb 0.16 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 1tk8 n ASP 413 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk8 n GLY 414 N 0.27 0.94 3.35 6.12 0.00 -0.45 -4.99 105.19 110.42 1tk8 n GLY 414 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1tk8 n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk8 s LYS 415 N -2.40 1.31 -0.25 1.61 3.01 -1.26 -1.57 119.74 120.20 1tk8 s LYS 415 Ca 0.00 -1.45 -0.10 0.00 -1.01 0.00 0.00 55.97 53.41 1tk8 s LYS 415 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 37.83 35.41 1tk8 s LYS 415 CO 0.00 0.27 0.14 0.42 0.51 0.00 0.00 175.35 176.69 1tk8 s ILE 416 N -2.13 5.07 -1.08 2.17 1.01 -0.63 -1.00 121.20 124.61 1tk8 s ILE 416 Ca 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.87 1tk8 s ILE 416 Cb -0.05 -3.38 0.31 0.00 0.01 0.00 0.00 42.46 39.35 1tk8 s ILE 416 CO 0.07 0.32 1.49 1.41 0.00 0.00 0.00 174.94 178.24 1tk8 n HIS 417 N 4.59 2.23 -1.69 3.97 8.25 -1.26 -0.63 115.22 130.68 1tk8 n HIS 417 Ca -0.15 -2.57 -0.41 0.00 -0.26 0.00 0.00 57.72 54.33 1tk8 n HIS 417 Cb 0.52 -1.25 0.01 0.00 1.12 0.00 0.00 29.99 30.39 1tk8 n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1tk8 n GLY 418 N 1.27 0.41 3.87 -1.41 0.00 -1.26 -4.85 105.19 103.22 1tk8 n GLY 418 Ca 0.27 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 1tk8 n GLY 418 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tk8 s SER 419 N -0.57 6.61 -0.05 1.61 0.15 0.28 -4.70 113.70 117.03 1tk8 s SER 419 Ca 0.61 1.07 -0.02 0.00 0.70 0.00 0.00 55.95 58.32 1tk8 s SER 419 Cb -0.52 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1tk8 s SER 419 CO 0.58 -0.24 0.09 -0.69 1.20 0.00 0.00 173.24 174.18 1tk8 s VAL 420 N -2.09 -0.06 -0.62 4.45 1.01 -1.26 -1.78 120.40 120.05 1tk8 s VAL 420 Ca 0.50 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 1tk8 s VAL 420 Cb -0.11 -0.17 0.16 0.00 0.00 0.00 0.00 36.38 36.26 1tk8 s VAL 420 CO 0.25 0.09 0.56 0.21 0.00 0.00 0.00 175.10 176.20 1tk8 s ASN 421 N 1.20 6.25 0.55 3.32 3.84 -0.53 -4.94 114.94 124.62 1tk8 s ASN 421 Ca -0.08 -2.13 0.42 0.00 0.21 0.00 0.00 52.86 51.28 1tk8 s ASN 421 Cb -0.12 -2.17 1.63 0.00 -0.55 0.00 0.00 41.25 40.04 1tk8 s ASN 421 CO -0.05 -0.73 1.72 -0.65 -2.79 0.00 0.00 177.10 174.60 1tk8 h PRO 422 N 8.41 0.00 -0.83 0.43 0.11 -1.91 -1.52 132.00 136.70 1tk8 h PRO 422 Ca -0.15 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.56 1tk8 h PRO 422 Cb 1.07 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.77 1tk8 h PRO 422 CO 0.91 0.00 -1.02 -1.71 -0.21 0.00 0.00 178.00 175.98 1tk8 n ASN 423 N -4.09 2.75 0.17 -2.05 5.15 -1.26 -3.61 115.26 112.32 1tk8 n ASN 423 Ca 0.33 -2.85 0.03 0.00 -0.60 0.00 0.00 54.58 51.49 1tk8 n ASN 423 Cb 1.54 -0.46 0.26 0.00 -0.53 0.00 0.00 39.78 40.59 1tk8 n ASN 423 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk8 h GLY 424 N 2.62 0.00 -4.82 8.20 0.00 -1.12 -3.45 103.07 104.49 1tk8 h GLY 424 Ca 0.05 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.77 1tk8 h GLY 424 CO 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.72 1tk8 s ALA 425 N -3.61 3.79 0.29 3.60 0.00 -0.80 -4.87 121.76 120.16 1tk8 s ALA 425 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1tk8 s ALA 425 Cb 0.12 -2.17 0.73 0.00 0.00 0.00 0.00 23.12 21.79 1tk8 s ALA 425 CO 0.72 0.60 1.67 -0.39 0.00 0.00 0.00 175.76 178.36 1tk8 h VAL 426 N 3.00 0.39 0.00 0.00 -1.51 -1.87 0.26 116.25 116.52 1tk8 h VAL 426 Ca -0.50 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1tk8 h VAL 426 Cb 1.20 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1tk8 h VAL 426 CO 0.66 0.05 0.00 0.71 -1.23 0.00 0.00 177.57 177.76 1tk8 h THR 427 N 0.30 0.00 0.00 7.19 1.35 -1.90 -3.42 112.91 116.42 1tk8 h THR 427 Ca 0.56 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1tk8 h THR 427 Cb 1.10 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1tk8 h THR 427 CO -0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.29 1tk8 n GLY 428 N -0.79 0.91 3.89 5.82 0.00 0.08 -4.11 105.19 110.99 1tk8 n GLY 428 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1tk8 n GLY 428 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tk8 s ARG 429 N -0.58 2.25 0.33 1.61 0.52 -1.25 -4.65 118.95 117.19 1tk8 s ARG 429 Ca 0.00 0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.50 1tk8 s ARG 429 Cb 0.00 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 1tk8 s ARG 429 CO 0.00 -1.42 0.49 0.00 0.02 0.00 0.00 175.30 174.38 1tk8 s ALA 430 N -3.48 4.01 0.15 2.13 0.00 -1.24 -1.90 121.76 121.44 1tk8 s ALA 430 Ca 0.61 -1.27 0.10 0.00 0.00 0.00 0.00 51.96 51.40 1tk8 s ALA 430 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1tk8 s ALA 430 CO 0.50 -0.02 -0.21 0.95 0.00 0.00 0.00 175.76 176.98 1tk8 s THR 431 N -2.21 2.58 -0.01 0.00 -4.23 -0.65 -4.64 115.64 106.49 1tk8 s THR 431 Ca 0.42 -1.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.22 1tk8 s THR 431 Cb -0.09 -2.20 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1tk8 s THR 431 CO 0.32 -0.00 -0.18 -1.00 -0.54 0.00 0.00 174.62 173.22 1tk8 s HIS 432 N -1.37 1.61 0.16 3.99 3.76 -1.26 -1.46 115.29 120.72 1tk8 s HIS 432 Ca 0.19 -0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 1tk8 s HIS 432 Cb -0.09 -1.03 0.06 0.00 1.11 0.00 0.00 32.58 32.63 1tk8 s HIS 432 CO 0.10 -0.02 0.82 0.00 -0.85 0.00 0.00 174.74 174.79 1tk8 s ALA 433 N -0.46 -1.57 -1.15 -1.40 0.00 -0.73 -4.40 121.76 112.05 1tk8 s ALA 433 Ca 0.07 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1tk8 s ALA 433 Cb -0.07 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1tk8 s ALA 433 CO -0.00 -0.93 0.96 1.19 0.00 0.00 0.00 175.76 176.98 1tk8 n PHE 434 N -0.41 -2.27 -2.76 0.00 3.72 -1.26 -0.56 117.46 113.92 1tk8 n PHE 434 Ca -0.08 0.91 -0.21 0.00 -0.05 0.00 0.00 57.45 58.02 1tk8 n PHE 434 Cb 0.61 -4.74 0.06 0.00 -0.94 0.00 0.00 39.48 34.47 1tk8 n PHE 434 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1tk8 s PRO 435 N -5.07 2.24 -0.76 -1.08 0.04 -1.26 -3.94 135.00 125.18 1tk8 s PRO 435 Ca 0.15 -1.15 -0.26 0.00 0.04 0.00 0.00 61.00 59.78 1tk8 s PRO 435 Cb -0.02 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1tk8 s PRO 435 CO 0.74 -0.93 1.27 1.21 0.04 0.00 0.00 177.00 179.33 1tk8 s ASN 436 N -4.57 6.20 0.00 6.66 3.84 -1.26 -4.40 114.94 121.40 1tk8 s ASN 436 Ca 0.61 -0.60 0.23 0.00 0.21 0.00 0.00 52.86 53.31 1tk8 s ASN 436 Cb -0.08 -2.55 1.40 0.00 -0.55 0.00 0.00 41.25 39.47 1tk8 s ASN 436 CO 0.40 -1.77 1.77 0.18 -2.79 0.00 0.00 177.10 174.88 1tk8 n LEU 437 N 9.18 0.00 -1.36 3.21 4.77 -1.26 -2.75 117.00 128.79 1tk8 n LEU 437 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1tk8 n LEU 437 Cb 0.49 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.90 1tk8 n LEU 437 CO 0.70 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.53 1tk8 n ALA 438 N -1.00 2.58 -2.31 -1.18 0.00 -1.26 -4.24 120.51 113.11 1tk8 n ALA 438 Ca 0.18 -1.30 0.04 0.00 0.00 0.00 0.00 53.44 52.35 1tk8 n ALA 438 Cb 0.08 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.63 1tk8 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk8 n GLN 439 N 1.41 0.51 -2.25 0.00 10.64 -1.11 -5.08 117.38 121.50 1tk8 n GLN 439 Ca 0.24 -2.41 -0.41 0.00 -1.83 0.00 0.00 57.00 52.59 1tk8 n GLN 439 Cb 0.66 -0.49 -0.03 0.00 -0.86 0.00 0.00 30.24 29.53 1tk8 n GLN 439 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1tk8 s ILE 440 N -1.00 3.23 0.24 -0.39 -1.09 -1.26 -4.92 121.20 116.01 1tk8 s ILE 440 Ca 0.35 1.06 -0.31 0.00 -2.23 0.00 0.00 60.65 59.52 1tk8 s ILE 440 Cb 0.38 -3.68 -0.14 0.00 -1.58 0.00 0.00 42.46 37.45 1tk8 s ILE 440 CO -0.14 0.18 1.23 -2.65 -1.23 0.00 0.00 174.94 172.33 1tk8 n PRO 441 N 2.25 1.63 -1.81 2.79 -0.02 -1.26 -4.93 135.00 133.65 1tk8 n PRO 441 Ca 0.04 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 1tk8 n PRO 441 Cb 0.43 -2.11 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1tk8 n PRO 441 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tk8 s GLY 442 N -0.07 2.10 0.54 -1.23 0.00 -1.26 -4.49 107.32 102.92 1tk8 s GLY 442 Ca 0.66 0.47 0.23 0.00 0.00 0.00 0.00 44.72 46.08 1tk8 s GLY 442 CO 0.54 0.81 2.07 -0.39 0.00 0.00 0.00 173.10 176.14 1tk8 h VAL 443 N 0.07 0.75 -0.35 1.40 -1.51 -1.92 -1.85 116.25 112.84 1tk8 h VAL 443 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1tk8 h VAL 443 Cb 1.24 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1tk8 h VAL 443 CO 0.55 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.43 1tk8 n ARG 444 N -4.29 2.44 -4.09 5.19 1.74 -1.26 -3.54 116.66 112.86 1tk8 n ARG 444 Ca 0.04 -1.53 -0.23 0.00 -0.77 0.00 0.00 57.85 55.36 1tk8 n ARG 444 Cb 0.37 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1tk8 n ARG 444 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tk8 s SER 445 N -0.73 4.86 0.22 0.55 1.04 -0.69 -5.02 113.70 113.92 1tk8 s SER 445 Ca 0.27 -0.64 -0.32 0.00 0.48 0.00 0.00 55.95 55.75 1tk8 s SER 445 Cb 0.17 -0.87 -0.13 0.00 0.10 0.00 0.00 66.02 65.29 1tk8 s SER 445 CO 0.13 -0.22 1.50 -2.65 0.98 0.00 0.00 173.24 172.99 1tk8 n PRO 446 N -1.14 2.19 -0.82 4.02 -0.02 -1.26 -1.16 135.00 136.80 1tk8 n PRO 446 Ca -0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1tk8 n PRO 446 Cb 0.60 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1tk8 n PRO 446 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1tk8 n TYR 447 N 2.54 0.00 -0.14 6.00 4.01 -1.26 -4.87 117.16 123.44 1tk8 n TYR 447 Ca 0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.79 1tk8 n TYR 447 Cb 0.31 -1.18 0.01 0.00 -0.31 0.00 0.00 39.34 38.17 1tk8 n TYR 447 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tk8 h GLY 448 N 0.00 0.61 1.01 2.72 0.00 -1.30 -1.47 103.07 104.63 1tk8 h GLY 448 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1tk8 h GLY 448 CO 0.00 0.23 0.48 0.83 0.00 0.00 0.00 176.54 178.08 1tk8 h GLU 449 N 0.58 1.00 -0.47 4.80 5.08 -1.78 0.19 114.58 123.99 1tk8 h GLU 449 Ca 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1tk8 h GLU 449 Cb -0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1tk8 h GLU 449 CO -0.03 0.68 0.14 1.96 -1.00 0.00 0.00 179.01 180.75 1tk8 h GLN 450 N 1.02 0.73 0.38 2.33 4.20 -1.89 0.05 115.11 121.94 1tk8 h GLN 450 Ca 0.27 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1tk8 h GLN 450 Cb -0.09 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1tk8 h GLN 450 CO -0.06 0.70 -0.18 0.00 -0.67 0.00 0.00 178.83 178.62 1tk8 h ARG 452 N -0.68 0.60 0.00 0.00 9.65 -0.60 -2.10 114.38 121.24 1tk8 h ARG 452 Ca -0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1tk8 h ARG 452 Cb 0.49 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1tk8 h ARG 452 CO 0.09 0.40 0.00 0.00 2.80 0.00 0.00 179.97 183.25 1tk8 h ALA 453 N 1.66 1.00 0.00 2.80 0.00 -0.91 -3.05 119.26 120.76 1tk8 h ALA 453 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1tk8 h ALA 453 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tk8 h ALA 453 CO -0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1tk8 h ALA 454 N 2.21 1.00 -2.82 0.00 0.00 -1.18 -3.40 119.26 115.07 1tk8 h ALA 454 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1tk8 h ALA 454 Cb 0.71 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.26 1tk8 h ALA 454 CO 0.00 0.00 -0.52 -0.06 0.00 0.00 0.00 179.25 178.67 1tk8 s PHE 455 N -3.42 3.23 -0.23 0.00 0.40 -1.16 0.07 117.98 116.87 1tk8 s PHE 455 Ca 0.04 -0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 55.18 1tk8 s PHE 455 Cb 0.09 -2.42 0.16 0.00 0.51 0.00 0.00 43.02 41.36 1tk8 s PHE 455 CO 0.51 -0.61 1.21 0.20 0.70 0.00 0.00 175.22 177.22 1tk8 s GLY 456 N 1.56 -0.09 0.50 4.36 0.00 -0.43 -0.89 107.32 112.34 1tk8 s GLY 456 Ca 0.02 2.37 0.20 0.00 0.00 0.00 0.00 44.72 47.31 1tk8 s GLY 456 CO 0.07 1.00 2.08 0.00 0.00 0.00 0.00 173.10 176.25 1tk8 h ALA 457 N 2.23 1.63 -0.35 3.20 0.00 -1.75 -1.57 119.26 122.65 1tk8 h ALA 457 Ca -0.12 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1tk8 h ALA 457 Cb 1.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1tk8 h ALA 457 CO 0.25 0.13 0.24 1.05 0.00 0.00 0.00 179.25 180.93 1tk8 h GLU 458 N 0.00 0.14 0.00 0.00 4.11 -1.11 0.22 114.58 117.94 1tk8 h GLU 458 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1tk8 h GLU 458 Cb 0.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1tk8 h GLU 458 CO 0.01 0.09 0.00 0.72 0.07 0.00 0.00 179.01 179.91 1tk8 n HIS 459 N -4.46 0.00 -4.47 2.06 8.25 -0.59 -4.39 115.22 111.62 1tk8 n HIS 459 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1tk8 n HIS 459 Cb 0.33 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.28 1tk8 n HIS 459 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1tk8 s HIS 460 N -2.00 2.80 -0.19 4.41 5.65 0.75 -4.74 115.29 121.97 1tk8 s HIS 460 Ca 0.17 -1.05 -0.10 0.00 0.25 0.00 0.00 55.06 54.33 1tk8 s HIS 460 Cb 0.08 -1.91 -0.05 0.00 -1.18 0.00 0.00 32.58 29.52 1tk8 s HIS 460 CO 0.13 -0.49 0.15 -0.51 -0.65 0.00 0.00 174.74 173.38 1tk8 s LEU 461 N 0.87 4.22 0.29 8.88 1.43 -1.26 -0.66 118.68 132.46 1tk8 s LEU 461 Ca -0.04 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.05 1tk8 s LEU 461 Cb -0.15 -2.13 -0.14 0.00 0.03 0.00 0.00 46.19 43.81 1tk8 s LEU 461 CO -0.01 0.18 1.14 -0.67 0.23 0.00 0.00 176.35 177.22 1tk8 n ASP 462 N 3.48 1.89 0.26 2.29 2.03 -0.04 -4.80 116.55 121.65 1tk8 n ASP 462 Ca -0.16 1.18 0.10 0.00 0.52 0.00 0.00 54.79 56.43 1tk8 n ASP 462 Cb 0.52 -1.36 0.69 0.00 -0.72 0.00 0.00 41.12 40.25 1tk8 n ASP 462 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1tk8 h GLY 463 N 2.45 0.00 0.00 0.27 0.00 -1.91 -0.93 103.07 102.95 1tk8 h GLY 463 Ca -0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1tk8 h GLY 463 CO 0.63 0.00 -0.82 1.39 0.00 0.00 0.00 176.54 177.74 1tk8 n ILE 464 N -4.17 1.46 0.30 2.60 2.08 -1.26 -4.66 119.36 115.71 1tk8 n ILE 464 Ca -0.03 0.15 0.12 0.00 0.56 0.00 0.00 62.75 63.56 1tk8 n ILE 464 Cb 0.15 -2.35 0.15 0.00 -0.75 0.00 0.00 39.64 36.84 1tk8 n ILE 464 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1tk8 h THR 465 N -1.00 0.00 -0.05 1.39 1.35 -1.97 -3.47 112.91 109.16 1tk8 h THR 465 Ca -0.04 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 1tk8 h THR 465 Cb 0.79 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1tk8 h THR 465 CO -0.02 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.84 1tk8 n GLY 466 N 1.20 0.45 3.81 5.82 0.00 -0.35 -4.94 105.19 111.17 1tk8 n GLY 466 Ca 0.03 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1tk8 n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk8 s LYS 467 N -0.93 4.15 0.53 1.61 -0.14 -1.26 -4.48 119.74 119.22 1tk8 s LYS 467 Ca 0.00 0.68 -0.23 0.00 -1.36 0.00 0.00 55.97 55.06 1tk8 s LYS 467 Cb 0.00 -3.24 -0.06 0.00 -1.68 0.00 0.00 37.83 32.86 1tk8 s LYS 467 CO 0.00 0.65 1.38 -0.35 -0.76 0.00 0.00 175.35 176.27 1tk8 n PRO 468 N 1.75 1.82 -1.93 -1.68 -0.04 -1.26 -0.86 135.00 132.79 1tk8 n PRO 468 Ca -0.11 0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 63.73 1tk8 n PRO 468 Cb 0.51 -2.60 0.08 0.00 -0.04 0.00 0.00 33.50 31.46 1tk8 n PRO 468 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1tk8 s TRP 469 N -1.27 2.98 0.23 0.54 0.52 0.17 -4.84 118.94 117.28 1tk8 s TRP 469 Ca 0.69 0.75 0.10 0.00 0.02 0.00 0.00 56.10 57.66 1tk8 s TRP 469 Cb -0.42 -3.42 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 1tk8 s TRP 469 CO 0.51 -1.68 -0.08 0.08 0.02 0.00 0.00 176.95 175.80 1tk8 s VAL 470 N -3.52 3.17 -0.05 4.03 1.01 0.11 -2.73 120.40 122.41 1tk8 s VAL 470 Ca 0.61 -1.89 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1tk8 s VAL 470 Cb -0.11 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1tk8 s VAL 470 CO 0.49 -0.26 -0.13 -1.58 0.00 0.00 0.00 175.10 173.61 1tk8 s GLN 471 N -3.27 2.53 -0.23 2.72 0.74 0.35 0.15 119.66 122.64 1tk8 s GLN 471 Ca 0.28 -0.68 0.02 0.00 0.05 0.00 0.00 55.36 55.03 1tk8 s GLN 471 Cb -0.07 -2.40 0.05 0.00 1.10 0.00 0.00 33.01 31.69 1tk8 s GLN 471 CO 0.17 0.63 -0.10 0.00 -0.55 0.00 0.00 175.29 175.44 1tk8 s ALA 472 N -0.74 2.19 -0.20 1.58 0.00 0.53 -1.27 121.76 123.84 1tk8 s ALA 472 Ca 0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 1tk8 s ALA 472 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1tk8 s ALA 472 CO 0.01 -1.03 0.00 0.20 0.00 0.00 0.00 175.76 174.94 1tk8 s GLY 473 N 1.30 1.71 -0.06 0.00 0.00 0.04 -0.72 107.32 109.59 1tk8 s GLY 473 Ca -0.05 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1tk8 s GLY 473 CO -0.07 0.26 -0.16 -0.42 0.00 0.00 0.00 173.10 172.70 1tk8 s ILE 474 N 1.04 1.43 -0.02 0.90 1.09 -0.36 -0.40 121.20 124.88 1tk8 s ILE 474 Ca 0.02 -0.67 0.03 0.00 -1.10 0.00 0.00 60.65 58.93 1tk8 s ILE 474 Cb -0.14 -1.25 -0.00 0.00 -1.06 0.00 0.00 42.46 40.00 1tk8 s ILE 474 CO 0.02 0.42 -0.12 -0.62 -0.10 0.00 0.00 174.94 174.54 1tk8 s ASP 475 N 0.35 1.44 0.23 3.58 -1.08 -0.50 -0.81 116.67 119.87 1tk8 s ASP 475 Ca -0.11 -0.22 -0.30 0.00 -0.52 0.00 0.00 52.55 51.40 1tk8 s ASP 475 Cb -0.14 -0.28 -0.09 0.00 -1.46 0.00 0.00 42.92 40.94 1tk8 s ASP 475 CO 0.04 0.12 1.28 0.00 0.52 0.00 0.00 175.17 177.13 1tk8 s ALA 476 N -0.05 3.50 -0.23 3.66 0.00 0.10 -0.96 121.76 127.79 1tk8 s ALA 476 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 1tk8 s ALA 476 Cb -0.07 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1tk8 s ALA 476 CO 0.00 -0.51 0.99 -1.12 0.00 0.00 0.00 175.76 175.13 1tk8 s SER 477 N 0.04 7.05 -1.76 0.00 0.01 -0.25 -4.12 113.70 114.67 1tk8 s SER 477 Ca 0.54 1.31 -0.17 0.00 1.31 0.00 0.00 55.95 58.94 1tk8 s SER 477 Cb -0.36 -2.52 0.16 0.00 0.21 0.00 0.00 66.02 63.51 1tk8 s SER 477 CO 0.41 -0.63 0.49 0.61 0.41 0.00 0.00 173.24 174.53 1tk8 n GLY 478 N 3.40 -0.34 0.38 3.44 0.00 -1.26 -4.66 105.19 106.16 1tk8 n GLY 478 Ca 0.10 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1tk8 n GLY 478 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tk8 h LEU 479 N -1.22 -1.69 -1.50 0.99 5.85 -1.93 -0.80 115.31 115.00 1tk8 h LEU 479 Ca -0.61 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1tk8 h LEU 479 Cb 1.39 0.71 -0.00 0.00 0.37 0.00 0.00 40.66 43.13 1tk8 h LEU 479 CO 0.83 -0.31 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.16 1tk8 h GLU 480 N -0.24 0.00 0.00 1.25 5.08 -1.90 -1.00 114.58 117.77 1tk8 h GLU 480 Ca 0.08 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1tk8 h GLU 480 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1tk8 h GLU 480 CO -0.60 0.13 -0.86 -0.07 -1.00 0.00 0.00 179.01 176.61 1tk8 h LEU 481 N 0.00 0.05 -0.48 1.33 3.38 -1.78 -1.70 115.31 116.12 1tk8 h LEU 481 Ca -0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1tk8 h LEU 481 Cb 0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1tk8 h LEU 481 CO 0.02 0.88 -0.71 0.03 0.09 0.00 0.00 178.44 178.75 1tk8 h ARG 482 N 0.02 0.30 -0.78 1.13 3.08 -0.47 -0.86 114.38 116.80 1tk8 h ARG 482 Ca -0.02 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 1tk8 h ARG 482 Cb 1.50 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.57 1tk8 h ARG 482 CO 0.12 0.89 0.31 0.00 -1.07 0.00 0.00 179.97 180.22 1tk8 h LEU 484 N 1.12 0.38 -0.70 0.00 5.85 -0.92 -1.50 115.31 119.54 1tk8 h LEU 484 Ca 0.26 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1tk8 h LEU 484 Cb 0.21 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1tk8 h LEU 484 CO -0.02 0.35 0.42 0.00 -0.34 0.00 0.00 178.44 178.85 1tk8 h ALA 485 N 1.04 0.92 0.32 1.25 0.00 -0.53 -1.30 119.26 120.97 1tk8 h ALA 485 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tk8 h ALA 485 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1tk8 h ALA 485 CO -0.02 0.17 -0.31 1.25 0.00 0.00 0.00 179.25 180.34 1tk8 h HIS 486 N 0.81 -0.83 0.00 0.00 -0.00 -0.51 -2.24 115.15 112.38 1tk8 h HIS 486 Ca 0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 1tk8 h HIS 486 Cb 0.08 0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.81 1tk8 h HIS 486 CO -0.05 -0.44 -0.16 0.74 -0.00 0.00 0.00 177.93 178.01 1tk8 h PHE 487 N -0.65 0.00 -0.20 5.26 0.04 -0.97 -2.76 116.94 117.65 1tk8 h PHE 487 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1tk8 h PHE 487 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1tk8 h PHE 487 CO -0.18 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 177.69 1tk8 n MET 488 N -3.58 2.28 0.28 1.51 0.00 -0.52 -4.22 117.12 112.87 1tk8 n MET 488 Ca -0.01 -1.90 0.12 0.00 0.00 0.00 0.00 57.70 55.91 1tk8 n MET 488 Cb 0.30 -1.48 0.78 0.00 0.00 0.00 0.00 33.22 32.82 1tk8 n MET 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tk8 h ALA 489 N 4.51 1.65 0.00 3.17 0.00 -1.09 0.25 119.26 127.74 1tk8 h ALA 489 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1tk8 h ALA 489 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tk8 h ALA 489 CO 0.00 0.04 0.00 0.07 0.00 0.00 0.00 179.25 179.36 1tk8 h ARG 490 N 0.00 0.00 0.00 0.00 0.11 -1.78 0.36 114.38 113.07 1tk8 h ARG 490 Ca -0.00 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.71 1tk8 h ARG 490 Cb 0.07 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.08 1tk8 h ARG 490 CO 0.00 0.00 -2.39 1.19 0.10 0.00 0.00 179.97 178.88 1tk8 n PHE 491 N -2.61 0.00 -0.00 4.08 3.72 0.66 -4.63 117.46 118.67 1tk8 n PHE 491 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1tk8 n PHE 491 Cb 0.33 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 1tk8 n PHE 491 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tk8 n ASP 492 N -2.85 1.92 -3.70 4.37 5.75 0.06 -5.00 116.55 117.10 1tk8 n ASP 492 Ca -0.35 -1.92 -0.25 0.00 -0.01 0.00 0.00 54.79 52.26 1tk8 n ASP 492 Cb 1.11 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 41.26 1tk8 n ASP 492 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tk8 n ASN 493 N -0.46 -4.72 -0.23 -1.12 3.02 0.13 -2.28 115.26 109.60 1tk8 n ASN 493 Ca 0.00 -0.66 -0.03 0.00 -0.03 0.00 0.00 54.58 53.86 1tk8 n ASN 493 Cb 0.23 -4.55 -0.01 0.00 -0.61 0.00 0.00 39.78 34.84 1tk8 n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tk8 n GLY 494 N -1.75 0.56 0.18 7.41 0.00 -1.19 -4.91 105.19 105.49 1tk8 n GLY 494 Ca -0.05 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 1tk8 n GLY 494 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tk8 h GLU 495 N 0.38 -0.22 -0.39 1.61 4.81 -1.79 -1.22 114.58 117.75 1tk8 h GLU 495 Ca -0.06 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1tk8 h GLU 495 Cb 0.46 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1tk8 h GLU 495 CO 0.09 -0.15 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.15 1tk8 h TYR 496 N -0.23 0.80 -0.03 0.92 3.20 -1.91 -1.45 116.97 118.28 1tk8 h TYR 496 Ca 0.04 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.76 1tk8 h TYR 496 Cb 0.29 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1tk8 h TYR 496 CO -0.19 0.83 0.03 0.00 -1.64 0.00 0.00 178.16 177.19 1tk8 h ALA 497 N 1.18 1.70 0.10 1.82 0.00 -1.69 0.40 119.26 122.77 1tk8 h ALA 497 Ca 0.10 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.69 1tk8 h ALA 497 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tk8 h ALA 497 CO 0.04 -0.04 -1.73 1.25 0.00 0.00 0.00 179.25 178.78 1tk8 h HIS 498 N 0.00 0.39 -0.90 0.00 -0.00 -0.80 -3.38 115.15 110.46 1tk8 h HIS 498 Ca 0.01 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1tk8 h HIS 498 Cb 0.06 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 1tk8 h HIS 498 CO 0.00 1.68 0.57 1.49 -0.00 0.00 0.00 177.93 181.67 1tk8 h GLU 499 N -0.22 1.21 -0.30 5.26 4.81 -0.83 -3.00 114.58 121.52 1tk8 h GLU 499 Ca -0.38 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1tk8 h GLU 499 Cb 1.84 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 1tk8 h GLU 499 CO 0.03 0.83 0.23 0.97 -0.73 0.00 0.00 179.01 180.34 1tk8 h ILE 500 N 1.23 0.72 -0.58 2.32 2.10 -1.10 -1.77 117.51 120.44 1tk8 h ILE 500 Ca 0.33 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.27 1tk8 h ILE 500 Cb -0.09 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 1tk8 h ILE 500 CO -0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.01 1tk8 n LEU 501 N -4.25 4.76 -4.25 2.19 -0.00 -1.13 -4.13 117.00 110.18 1tk8 n LEU 501 Ca 0.04 -2.40 -0.44 0.00 -0.00 0.00 0.00 56.01 53.21 1tk8 n LEU 501 Cb 0.40 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1tk8 n LEU 501 CO 0.33 0.70 1.21 -3.20 -0.00 0.00 0.00 177.39 176.43 1tk8 n ASN 502 N 0.88 5.54 0.00 1.45 5.15 -0.67 -4.90 115.26 122.71 1tk8 n ASN 502 Ca 0.24 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1tk8 n ASN 502 Cb 0.93 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1tk8 n ASN 502 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tk8 n GLY 503 N 2.86 -1.07 3.70 8.20 0.00 -1.26 -4.84 105.19 112.78 1tk8 n GLY 503 Ca 0.31 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1tk8 n GLY 503 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tk8 s ASP 504 N -3.51 6.48 0.17 1.61 2.15 -1.26 -4.90 116.67 117.41 1tk8 s ASP 504 Ca 0.00 2.70 -0.12 0.00 0.43 0.00 0.00 52.55 55.55 1tk8 s ASP 504 Cb 0.00 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.11 1tk8 s ASP 504 CO 0.00 -0.95 1.73 -0.29 -0.17 0.00 0.00 175.17 175.49 1tk8 h ILE 505 N 4.45 1.22 -0.46 4.11 6.09 -1.89 -0.90 117.51 130.14 1tk8 h ILE 505 Ca -0.44 -0.69 -0.13 0.00 -1.37 0.00 0.00 64.86 62.23 1tk8 h ILE 505 Cb 1.21 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 1tk8 h ILE 505 CO 0.94 0.27 -0.24 0.45 -3.07 0.00 0.00 178.15 176.50 1tk8 h HIS 506 N 0.80 1.12 -0.22 2.19 3.86 -1.94 -0.85 115.15 120.10 1tk8 h HIS 506 Ca 0.19 -0.28 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 1tk8 h HIS 506 Cb 0.19 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1tk8 h HIS 506 CO 0.01 1.10 -0.37 1.15 0.86 0.00 0.00 177.93 180.68 1tk8 h THR 507 N 0.83 1.29 -0.64 2.45 2.02 -1.89 0.38 112.91 117.36 1tk8 h THR 507 Ca 0.10 -1.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1tk8 h THR 507 Cb 0.82 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1tk8 h THR 507 CO 0.07 0.47 0.17 0.50 0.37 0.00 0.00 175.52 177.10 1tk8 h LYS 508 N 0.42 1.00 0.01 6.66 3.64 -0.86 -2.22 116.57 125.21 1tk8 h LYS 508 Ca 0.04 -0.22 -0.27 0.00 -1.27 0.00 0.00 60.65 58.94 1tk8 h LYS 508 Cb 0.84 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1tk8 h LYS 508 CO 0.07 0.88 -1.05 -0.91 -2.27 0.00 0.00 179.45 176.17 1tk8 h ASN 509 N 0.96 0.90 -0.41 4.20 2.35 -0.75 -2.75 115.58 120.07 1tk8 h ASN 509 Ca 0.21 -0.75 0.09 0.00 -0.55 0.00 0.00 56.30 55.29 1tk8 h ASN 509 Cb 0.32 -0.28 -0.09 0.00 0.05 0.00 0.00 38.32 38.33 1tk8 h ASN 509 CO -0.00 1.53 -0.23 -0.61 -1.65 0.00 0.00 177.43 176.47 1tk8 h GLN 510 N 0.36 -0.15 0.36 0.81 4.15 0.01 0.32 115.11 120.97 1tk8 h GLN 510 Ca -0.13 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 1tk8 h GLN 510 Cb 1.70 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.43 1tk8 h GLN 510 CO 0.21 -0.10 -0.17 0.82 -1.93 0.00 0.00 178.83 177.66 1tk8 h ILE 511 N -0.15 0.66 -0.33 2.39 2.04 -1.48 0.32 117.51 120.96 1tk8 h ILE 511 Ca 0.20 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1tk8 h ILE 511 Cb 0.46 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1tk8 h ILE 511 CO -0.50 0.06 0.27 0.00 0.00 0.00 0.00 178.15 177.98 1tk8 h ALA 512 N -0.07 2.19 -0.00 1.87 0.00 -1.12 0.17 119.26 122.30 1tk8 h ALA 512 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tk8 h ALA 512 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tk8 h ALA 512 CO 0.08 -0.44 -0.66 0.00 0.00 0.00 0.00 179.25 178.22 1tk8 n ALA 513 N -2.52 3.96 -3.21 0.00 0.00 0.11 -4.98 120.51 113.89 1tk8 n ALA 513 Ca 0.05 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1tk8 n ALA 513 Cb 0.44 -0.97 0.07 0.00 0.00 0.00 0.00 19.45 18.99 1tk8 n ALA 513 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk8 n GLU 514 N -1.36 -4.59 -4.11 0.00 1.02 0.60 -5.02 120.64 107.17 1tk8 n GLU 514 Ca 0.06 0.77 -0.30 0.00 -0.02 0.00 0.00 57.16 57.66 1tk8 n GLU 514 Cb 0.34 -5.47 -0.07 0.00 -0.02 0.00 0.00 31.44 26.22 1tk8 n GLU 514 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tk8 s LEU 515 N -5.64 3.55 0.05 -4.62 1.43 -0.16 -5.03 118.68 108.26 1tk8 s LEU 515 Ca 0.14 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 1tk8 s LEU 515 Cb -0.02 -2.26 -0.17 0.00 0.03 0.00 0.00 46.19 43.77 1tk8 s LEU 515 CO 0.66 0.16 1.53 1.55 0.23 0.00 0.00 176.35 180.48 1tk8 h PRO 516 N 3.31 -0.29 -6.02 1.29 0.13 -1.95 -3.44 132.00 125.03 1tk8 h PRO 516 Ca -0.47 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 1tk8 h PRO 516 Cb 1.17 0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1tk8 h PRO 516 CO 0.61 -0.09 -0.61 0.95 -0.23 0.00 0.00 178.00 178.63 1tk8 s THR 517 N -5.54 2.64 0.18 1.56 -4.23 -1.26 -5.02 115.64 103.97 1tk8 s THR 517 Ca -0.15 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1tk8 s THR 517 Cb 0.04 -2.81 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 1tk8 s THR 517 CO 0.62 -0.20 1.46 -0.09 -0.54 0.00 0.00 174.62 175.88 1tk8 h ARG 518 N 1.79 0.51 -0.92 3.99 2.43 -1.93 -2.79 114.38 117.46 1tk8 h ARG 518 Ca -0.43 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 1tk8 h ARG 518 Cb 1.25 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 1tk8 h ARG 518 CO 0.67 0.98 0.58 -0.44 -1.51 0.00 0.00 179.97 180.25 1tk8 h ASP 519 N 0.37 1.09 -0.46 -3.80 3.32 -1.96 -1.23 116.42 113.76 1tk8 h ASP 519 Ca -0.01 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1tk8 h ASP 519 Cb 1.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1tk8 h ASP 519 CO 0.12 0.82 0.15 -1.13 -1.72 0.00 0.00 179.24 177.48 1tk8 h ASN 520 N 1.26 0.70 -0.21 6.45 -0.00 -1.93 -1.59 115.58 120.28 1tk8 h ASN 520 Ca 0.33 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.47 1tk8 h ASN 520 Cb -0.09 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.03 1tk8 h ASN 520 CO -0.07 0.67 -0.05 0.00 -0.00 0.00 0.00 177.43 177.99 1tk8 h ALA 521 N 1.42 1.30 -0.07 1.57 0.00 -0.99 -1.56 119.26 120.93 1tk8 h ALA 521 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1tk8 h ALA 521 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tk8 h ALA 521 CO -0.01 0.47 -0.08 0.87 0.00 0.00 0.00 179.25 180.51 1tk8 h LYS 522 N 0.50 0.18 0.00 0.00 1.57 -0.52 -0.85 116.57 117.45 1tk8 h LYS 522 Ca 0.10 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1tk8 h LYS 522 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1tk8 h LYS 522 CO 0.02 0.63 -0.21 0.00 -0.57 0.00 0.00 179.45 179.32 1tk8 h THR 523 N -0.25 0.74 0.18 -0.16 1.03 -1.25 -2.34 112.91 110.85 1tk8 h THR 523 Ca 0.01 -0.87 -0.01 0.00 -0.01 0.00 0.00 66.41 65.54 1tk8 h THR 523 Cb 0.60 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1tk8 h THR 523 CO 0.02 0.21 -0.08 0.15 -0.01 0.00 0.00 175.52 175.80 1tk8 h PHE 524 N 0.00 -0.22 -0.81 0.00 3.57 -1.20 -2.12 116.94 116.16 1tk8 h PHE 524 Ca -0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1tk8 h PHE 524 Cb 0.52 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1tk8 h PHE 524 CO 0.00 0.19 0.53 0.97 -2.23 0.00 0.00 178.31 177.77 1tk8 h ILE 525 N -0.90 1.18 -0.06 1.41 6.09 -1.06 0.18 117.51 124.35 1tk8 h ILE 525 Ca -0.02 -0.37 -0.19 0.00 -1.37 0.00 0.00 64.86 62.91 1tk8 h ILE 525 Cb 0.50 0.02 -0.00 0.00 0.47 0.00 0.00 36.82 37.81 1tk8 h ILE 525 CO 0.04 0.19 -0.77 1.88 -3.07 0.00 0.00 178.15 176.42 1tk8 h TYR 526 N 1.06 0.53 -0.37 2.19 0.05 -1.55 0.48 116.97 119.36 1tk8 h TYR 526 Ca 0.31 -0.25 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 1tk8 h TYR 526 Cb -0.07 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1tk8 h TYR 526 CO -0.02 1.02 -0.26 0.78 -1.05 0.00 0.00 178.16 178.62 1tk8 h GLY 527 N 1.32 0.83 0.63 3.88 0.00 -1.01 -1.05 103.07 107.68 1tk8 h GLY 527 Ca -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1tk8 h GLY 527 CO 0.13 0.67 -0.21 -2.75 0.00 0.00 0.00 176.54 174.39 1tk8 h PHE 528 N 0.66 -0.53 -0.91 5.60 3.57 -0.49 0.56 116.94 125.40 1tk8 h PHE 528 Ca 0.08 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.74 1tk8 h PHE 528 Cb 0.78 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1tk8 h PHE 528 CO 0.04 -0.21 0.59 1.25 -2.23 0.00 0.00 178.31 177.75 1tk8 h LEU 529 N -0.96 0.62 -1.35 0.59 5.85 0.01 -2.34 115.31 117.73 1tk8 h LEU 529 Ca -0.06 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1tk8 h LEU 529 Cb 0.56 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1tk8 h LEU 529 CO 0.10 0.28 0.00 -1.22 -0.34 0.00 0.00 178.44 177.26 1tk8 n TYR 530 N -4.58 0.47 0.00 1.25 4.01 -0.40 -4.91 117.16 112.99 1tk8 n TYR 530 Ca 0.19 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1tk8 n TYR 530 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1tk8 n TYR 530 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tk8 n GLY 531 N 1.10 1.28 3.76 2.72 0.00 -0.88 -4.86 105.19 108.32 1tk8 n GLY 531 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1tk8 n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 s ALA 532 N -2.00 3.19 0.87 4.61 0.00 0.18 -5.00 121.76 123.61 1tk8 s ALA 532 Ca 0.00 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.26 1tk8 s ALA 532 Cb 0.00 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.67 1tk8 s ALA 532 CO 0.00 -1.20 1.22 0.20 0.00 0.00 0.00 175.76 175.98 1tk8 s GLY 533 N -0.58 1.65 0.22 0.00 0.00 -1.26 -4.79 107.32 102.56 1tk8 s GLY 533 Ca 0.62 -0.82 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 1tk8 s GLY 533 CO 0.55 -0.23 1.76 -0.55 0.00 0.00 0.00 173.10 174.63 1tk8 h ASP 534 N -1.31 0.37 -0.36 1.64 3.32 -1.90 -0.83 116.42 117.35 1tk8 h ASP 534 Ca -0.46 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.54 1tk8 h ASP 534 Cb 1.30 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1tk8 h ASP 534 CO 0.56 0.21 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.99 1tk8 h GLU 535 N 0.52 0.79 -0.78 3.56 4.81 -1.89 -1.88 114.58 119.72 1tk8 h GLU 535 Ca 0.33 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1tk8 h GLU 535 Cb 0.37 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 1tk8 h GLU 535 CO -0.28 0.99 0.50 -0.22 -0.73 0.00 0.00 179.01 179.27 1tk8 h LYS 536 N 0.58 0.96 -0.36 1.92 1.63 -1.79 0.13 116.57 119.63 1tk8 h LYS 536 Ca 0.08 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1tk8 h LYS 536 Cb 0.78 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1tk8 h LYS 536 CO 0.06 0.63 0.14 0.82 -3.45 0.00 0.00 179.45 177.66 1tk8 h ILE 537 N 0.98 1.14 0.11 2.00 1.08 -1.00 -1.55 117.51 120.28 1tk8 h ILE 537 Ca 0.30 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1tk8 h ILE 537 Cb -0.02 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1tk8 h ILE 537 CO -0.10 0.17 -0.05 1.23 -0.69 0.00 0.00 178.15 178.71 1tk8 h GLY 538 N 0.67 -0.16 0.27 5.37 0.00 -0.03 -2.52 103.07 106.66 1tk8 h GLY 538 Ca 0.13 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.59 1tk8 h GLY 538 CO -0.01 -0.06 -0.11 -1.61 0.00 0.00 0.00 176.54 174.75 1tk8 h GLN 539 N -0.46 -0.04 -0.92 4.80 4.15 -0.45 0.53 115.11 122.72 1tk8 h GLN 539 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.52 1tk8 h GLN 539 Cb 0.37 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 1tk8 h GLN 539 CO 0.03 -0.03 0.55 0.82 -1.93 0.00 0.00 178.83 178.27 1tk8 h ILE 540 N -0.04 0.90 -0.35 2.39 2.04 -1.28 -0.87 117.51 120.30 1tk8 h ILE 540 Ca 0.17 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1tk8 h ILE 540 Cb 0.29 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1tk8 h ILE 540 CO -0.37 0.16 0.00 1.33 0.00 0.00 0.00 178.15 179.27 1tk8 n VAL 541 N -4.69 0.46 -3.05 1.67 0.24 -0.68 -4.94 118.33 107.34 1tk8 n VAL 541 Ca 0.17 -0.59 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 1tk8 n VAL 541 Cb 0.33 0.59 0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1tk8 n VAL 541 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tk8 n GLY 542 N 1.33 -0.07 0.00 7.63 0.00 0.92 -5.02 105.19 109.98 1tk8 n GLY 542 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1tk8 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk8 n ALA 543 N -3.47 0.00 -2.21 4.61 0.00 0.15 -4.99 120.51 114.60 1tk8 n ALA 543 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1tk8 n ALA 543 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1tk8 n ALA 543 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1tk8 s GLY 544 N -0.32 2.09 0.49 0.00 0.00 -1.26 -3.64 107.32 104.67 1tk8 s GLY 544 Ca 0.00 -1.73 0.25 0.00 0.00 0.00 0.00 44.72 43.24 1tk8 s GLY 544 CO 0.00 -1.76 1.90 0.07 0.00 0.00 0.00 173.10 173.31 1tk8 h LYS 545 N 0.66 0.16 -0.04 2.90 2.10 -1.85 -0.50 116.57 120.01 1tk8 h LYS 545 Ca -0.36 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1tk8 h LYS 545 Cb 1.29 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1tk8 h LYS 545 CO 0.51 0.11 0.02 0.93 -2.00 0.00 0.00 179.45 179.03 1tk8 h GLU 546 N 0.17 0.05 0.00 0.07 3.07 -1.94 -1.39 114.58 114.61 1tk8 h GLU 546 Ca 0.41 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 1tk8 h GLU 546 Cb 1.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1tk8 h GLU 546 CO -0.07 0.07 -0.19 -0.09 -1.40 0.00 0.00 179.01 177.33 1tk8 h ARG 547 N 0.02 0.00 0.12 2.33 9.65 -1.47 -2.83 114.38 122.19 1tk8 h ARG 547 Ca 0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1tk8 h ARG 547 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1tk8 h ARG 547 CO -0.00 0.19 -0.06 0.78 2.80 0.00 0.00 179.97 183.68 1tk8 h GLY 548 N 0.78 -0.17 0.89 2.80 0.00 -0.51 -2.67 103.07 104.19 1tk8 h GLY 548 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.45 1tk8 h GLY 548 CO 0.02 -0.06 0.57 0.50 0.00 0.00 0.00 176.54 177.58 1tk8 h LYS 549 N -0.39 0.97 0.80 4.80 1.57 -1.06 -0.93 116.57 122.33 1tk8 h LYS 549 Ca -0.02 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1tk8 h LYS 549 Cb 0.32 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1tk8 h LYS 549 CO 0.03 0.64 -0.39 0.93 -0.57 0.00 0.00 179.45 180.09 1tk8 h GLU 550 N 1.00 -1.04 -0.79 3.15 5.08 -1.41 -0.23 114.58 120.34 1tk8 h GLU 550 Ca 0.38 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.93 1tk8 h GLU 550 Cb 0.19 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1tk8 h GLU 550 CO -0.14 -0.69 0.52 -0.07 -1.00 0.00 0.00 179.01 177.63 1tk8 h LEU 551 N -1.08 0.55 0.55 1.33 4.07 -1.35 0.11 115.31 119.49 1tk8 h LEU 551 Ca -0.11 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 1tk8 h LEU 551 Cb 0.83 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.49 1tk8 h LEU 551 CO 0.18 0.31 -0.26 0.11 -1.08 0.00 0.00 178.44 177.69 1tk8 h LYS 552 N 0.60 -0.71 0.00 1.13 1.79 -0.94 -1.89 116.57 116.55 1tk8 h LYS 552 Ca 0.38 0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.84 1tk8 h LYS 552 Cb 0.64 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1tk8 h LYS 552 CO -0.15 -0.44 -0.28 1.57 -1.08 0.00 0.00 179.45 179.08 1tk8 h LYS 553 N -0.82 0.00 -0.13 3.15 2.10 -0.44 -1.14 116.57 119.29 1tk8 h LYS 553 Ca -0.08 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.52 1tk8 h LYS 553 Cb 0.60 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1tk8 h LYS 553 CO 0.12 0.28 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.48 1tk8 h LYS 554 N 0.00 0.33 0.01 0.07 3.64 -0.69 -1.27 116.57 118.66 1tk8 h LYS 554 Ca -0.00 -0.18 -0.21 0.00 -1.27 0.00 0.00 60.65 58.99 1tk8 h LYS 554 Cb 0.72 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1tk8 h LYS 554 CO 0.04 0.74 -0.91 0.74 -2.27 0.00 0.00 179.45 177.78 1tk8 h PHE 555 N -0.06 0.31 0.00 1.91 -1.00 -1.28 -1.69 116.94 115.13 1tk8 h PHE 555 Ca 0.02 -0.18 -0.10 0.00 2.81 0.00 0.00 57.97 60.52 1tk8 h PHE 555 Cb 0.68 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1tk8 h PHE 555 CO 0.09 1.01 -0.50 1.25 -1.61 0.00 0.00 178.31 178.55 1tk8 h LEU 556 N 0.11 0.00 0.13 1.54 5.85 -1.26 -2.65 115.31 119.03 1tk8 h LEU 556 Ca -0.05 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 1tk8 h LEU 556 Cb 1.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1tk8 h LEU 556 CO 0.14 0.50 -1.24 -0.33 -0.34 0.00 0.00 178.44 177.17 1tk8 h GLU 557 N 0.00 0.27 -0.40 1.25 3.07 -1.17 -3.07 114.58 114.52 1tk8 h GLU 557 Ca -0.00 -0.46 -0.06 0.00 -0.50 0.00 0.00 59.36 58.34 1tk8 h GLU 557 Cb 0.97 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1tk8 h GLU 557 CO 0.06 1.22 0.01 -0.97 -1.40 0.00 0.00 179.01 177.93 1tk8 h ASN 558 N 0.07 0.59 -2.59 1.42 -1.24 -1.12 -3.35 115.58 109.37 1tk8 h ASN 558 Ca -0.13 -0.12 -0.60 0.00 0.71 0.00 0.00 56.30 56.16 1tk8 h ASN 558 Cb 1.97 -0.16 -0.39 0.00 0.73 0.00 0.00 38.32 40.47 1tk8 h ASN 558 CO 0.20 0.66 -0.88 0.42 -1.29 0.00 0.00 177.43 176.54 1tk8 s THR 559 N -4.99 0.88 -0.99 -3.57 -4.23 -1.01 -4.96 115.64 96.77 1tk8 s THR 559 Ca -0.08 -2.89 0.03 0.00 -1.18 0.00 0.00 61.69 57.57 1tk8 s THR 559 Cb 0.15 -1.60 0.03 0.00 1.34 0.00 0.00 72.50 72.42 1tk8 s THR 559 CO 0.78 -1.16 1.11 -0.81 -0.54 0.00 0.00 174.62 174.01 1tk8 n PRO 560 N 2.80 0.00 0.28 3.99 -0.04 -1.16 -1.75 135.00 139.12 1tk8 n PRO 560 Ca 0.25 0.45 0.15 0.00 -0.04 0.00 0.00 63.50 64.31 1tk8 n PRO 560 Cb 0.44 -1.51 0.81 0.00 -0.04 0.00 0.00 33.50 33.20 1tk8 n PRO 560 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tk8 h ALA 561 N 2.11 1.22 -0.37 0.55 0.00 -1.93 -2.14 119.26 118.70 1tk8 h ALA 561 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1tk8 h ALA 561 Cb 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1tk8 h ALA 561 CO 0.00 0.10 0.19 0.82 0.00 0.00 0.00 179.25 180.36 1tk8 h ILE 562 N 0.00 1.16 -0.46 0.00 2.04 -1.68 0.44 117.51 119.01 1tk8 h ILE 562 Ca -0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1tk8 h ILE 562 Cb 0.28 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1tk8 h ILE 562 CO 0.01 0.17 0.22 0.00 0.00 0.00 0.00 178.15 178.55 1tk8 h ALA 563 N 1.04 0.59 -0.71 1.87 0.00 -1.61 -1.27 119.26 119.18 1tk8 h ALA 563 Ca 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1tk8 h ALA 563 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1tk8 h ALA 563 CO -0.02 0.15 0.46 0.00 0.00 0.00 0.00 179.25 179.84 1tk8 h ALA 564 N 1.07 0.91 -0.28 0.00 0.00 -1.24 -0.52 119.26 119.20 1tk8 h ALA 564 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1tk8 h ALA 564 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1tk8 h ALA 564 CO -0.02 0.29 0.05 1.25 0.00 0.00 0.00 179.25 180.82 1tk8 h LEU 565 N 0.93 0.44 -0.85 0.00 5.85 -0.73 -1.47 115.31 119.48 1tk8 h LEU 565 Ca 0.27 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1tk8 h LEU 565 Cb -0.07 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1tk8 h LEU 565 CO -0.07 0.57 0.53 0.03 -0.34 0.00 0.00 178.44 179.16 1tk8 h ARG 566 N 0.28 0.97 -0.31 1.25 3.08 -0.84 -2.03 114.38 116.78 1tk8 h ARG 566 Ca 0.09 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1tk8 h ARG 566 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1tk8 h ARG 566 CO 0.00 0.64 -0.24 0.93 -1.07 0.00 0.00 179.97 180.23 1tk8 h GLU 567 N 1.00 0.71 -0.81 0.04 5.08 -0.95 -2.47 114.58 117.19 1tk8 h GLU 567 Ca 0.36 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1tk8 h GLU 567 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1tk8 h GLU 567 CO -0.15 0.96 0.43 0.66 -1.00 0.00 0.00 179.01 179.91 1tk8 h SER 568 N 0.47 1.02 -0.34 1.42 4.64 -0.96 0.18 113.55 119.98 1tk8 h SER 568 Ca 0.06 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1tk8 h SER 568 Cb 0.80 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1tk8 h SER 568 CO 0.06 0.83 0.21 0.40 -0.87 0.00 0.00 176.83 177.46 1tk8 h ILE 569 N 1.14 1.11 -0.21 0.95 2.04 -1.30 -1.61 117.51 119.62 1tk8 h ILE 569 Ca 0.28 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.93 1tk8 h ILE 569 Cb 0.05 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1tk8 h ILE 569 CO -0.04 0.11 0.05 1.56 0.00 0.00 0.00 178.15 179.82 1tk8 h GLN 570 N 0.44 0.13 -0.50 2.37 1.08 -0.90 -0.64 115.11 117.09 1tk8 h GLN 570 Ca 0.12 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.43 1tk8 h GLN 570 Cb -0.01 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1tk8 h GLN 570 CO -0.02 0.08 0.35 0.37 -0.95 0.00 0.00 178.83 178.66 1tk8 h GLN 571 N 0.13 0.15 0.12 1.46 -0.00 -0.62 0.39 115.11 116.75 1tk8 h GLN 571 Ca 0.09 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.65 58.44 1tk8 h GLN 571 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 1tk8 h GLN 571 CO -0.12 0.10 -1.46 1.15 0.00 0.00 0.00 178.83 178.51 1tk8 h THR 572 N 0.16 1.24 0.03 2.39 2.02 -0.48 -3.41 112.91 114.87 1tk8 h THR 572 Ca 0.24 -2.86 -0.34 0.00 0.77 0.00 0.00 66.41 64.21 1tk8 h THR 572 Cb 0.72 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.90 1tk8 h THR 572 CO -0.03 0.83 -1.91 0.18 0.37 0.00 0.00 175.52 174.96 1tk8 n LEU 573 N -3.47 2.25 -4.71 2.58 4.77 -0.33 -4.23 117.00 113.86 1tk8 n LEU 573 Ca -0.14 0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 1tk8 n LEU 573 Cb 1.04 -0.97 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1tk8 n LEU 573 CO 0.51 0.59 -0.20 -0.69 -1.33 0.00 0.00 177.39 176.27 1tk8 s VAL 574 N -2.47 5.24 -0.03 4.08 1.01 0.13 -0.20 120.40 128.17 1tk8 s VAL 574 Ca -0.30 0.13 0.18 0.00 0.00 0.00 0.00 61.98 61.98 1tk8 s VAL 574 Cb 0.08 -3.38 -0.27 0.00 0.00 0.00 0.00 36.38 32.81 1tk8 s VAL 574 CO 0.62 0.45 0.38 -1.84 0.00 0.00 0.00 175.10 174.71 1tk8 n GLU 575 N 3.47 0.55 -3.60 2.72 0.28 -0.96 -4.56 120.64 118.54 1tk8 n GLU 575 Ca -0.16 -0.16 -0.08 0.00 -0.16 0.00 0.00 57.16 56.60 1tk8 n GLU 575 Cb 0.52 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 31.92 1tk8 n GLU 575 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1tk8 s SER 576 N -4.07 -0.27 0.34 -1.84 0.15 -1.07 -5.03 113.70 101.92 1tk8 s SER 576 Ca -0.07 0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 1tk8 s SER 576 Cb 0.11 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1tk8 s SER 576 CO 0.74 -0.25 0.60 -0.94 1.20 0.00 0.00 173.24 174.59 1tk8 s SER 577 N -1.09 0.34 0.00 5.45 1.04 -1.26 0.59 113.70 118.77 1tk8 s SER 577 Ca 0.02 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1tk8 s SER 577 Cb -0.01 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1tk8 s SER 577 CO -0.01 -1.41 0.00 0.00 0.98 0.00 0.00 173.24 172.80 1tk8 n GLN 584 N -0.51 0.00 -3.02 4.02 10.64 -1.26 -5.00 117.38 122.25 1tk8 n GLN 584 Ca -0.03 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.73 1tk8 n GLN 584 Cb 0.61 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.94 1tk8 n GLN 584 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1tk8 s GLN 585 N -4.83 4.17 0.00 2.61 -1.52 -1.26 -5.04 119.66 113.79 1tk8 s GLN 585 Ca 0.00 0.74 0.04 0.00 -1.95 0.00 0.00 55.36 54.19 1tk8 s GLN 585 Cb 0.00 -3.63 -0.03 0.00 -0.22 0.00 0.00 33.01 29.13 1tk8 s GLN 585 CO 0.00 -0.41 -0.11 0.08 -0.25 0.00 0.00 175.29 174.60 1tk8 s VAL 586 N 2.48 3.30 -0.36 1.09 1.01 -1.26 -5.10 120.40 121.56 1tk8 s VAL 586 Ca 0.31 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1tk8 s VAL 586 Cb -0.16 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1tk8 s VAL 586 CO 0.09 0.42 0.19 -0.54 0.00 0.00 0.00 175.10 175.26 1tk8 s LYS 587 N -1.29 2.92 0.14 2.72 1.02 0.20 -4.97 119.74 120.48 1tk8 s LYS 587 Ca 0.15 -1.01 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1tk8 s LYS 587 Cb -0.11 -3.69 -0.07 0.00 -0.52 0.00 0.00 37.83 33.44 1tk8 s LYS 587 CO 0.05 -0.64 0.62 -1.58 -0.92 0.00 0.00 175.35 172.88 1tk8 s TRP 588 N 1.56 3.71 -0.15 3.18 0.52 -1.26 -2.27 118.94 124.22 1tk8 s TRP 588 Ca 0.02 1.26 -0.22 0.00 0.02 0.00 0.00 56.10 57.18 1tk8 s TRP 588 Cb -0.19 -2.51 -0.24 0.00 -1.15 0.00 0.00 33.47 29.39 1tk8 s TRP 588 CO 0.06 0.46 0.50 -0.22 0.02 0.00 0.00 176.95 177.78 1tk8 h LYS 589 N 3.90 0.08 -2.74 4.98 3.64 -0.87 -3.45 116.57 122.11 1tk8 h LYS 589 Ca -0.49 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 58.63 1tk8 h LYS 589 Cb 1.20 0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.83 1tk8 h LYS 589 CO 0.65 1.07 -0.25 0.50 -2.27 0.00 0.00 179.45 179.15 1tk8 s ARG 590 N -2.36 0.46 -0.30 1.90 3.52 -1.13 -5.06 118.95 115.99 1tk8 s ARG 590 Ca -0.23 0.60 0.11 0.00 -0.13 0.00 0.00 55.73 56.08 1tk8 s ARG 590 Cb 0.03 0.19 0.67 0.00 -1.56 0.00 0.00 34.95 34.27 1tk8 s ARG 590 CO 0.68 -0.07 1.69 -2.13 -0.81 0.00 0.00 175.30 174.65 1tk8 n ARG 591 N 3.08 3.21 -3.86 5.12 0.63 -1.26 -4.57 116.66 119.01 1tk8 n ARG 591 Ca -0.15 -3.06 -0.11 0.00 -0.92 0.00 0.00 57.85 53.61 1tk8 n ARG 591 Cb 0.57 -2.08 -0.09 0.00 0.45 0.00 0.00 32.46 31.31 1tk8 n ARG 591 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1tk8 s TRP 592 N -3.02 0.04 -0.01 -0.14 1.48 -1.26 -1.77 118.94 114.26 1tk8 s TRP 592 Ca 0.51 -0.20 -0.02 0.00 -1.06 0.00 0.00 56.10 55.33 1tk8 s TRP 592 Cb 0.42 -0.04 -0.04 0.00 -1.16 0.00 0.00 33.47 32.65 1tk8 s TRP 592 CO 0.10 -0.36 0.16 0.42 -4.06 0.00 0.00 176.95 173.21 1tk8 s ILE 593 N -2.01 5.28 -0.46 0.66 -1.09 0.21 -4.83 121.20 118.96 1tk8 s ILE 593 Ca -0.10 -0.21 -0.23 0.00 -2.23 0.00 0.00 60.65 57.88 1tk8 s ILE 593 Cb -0.04 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1tk8 s ILE 593 CO -0.01 0.34 0.80 -0.75 -1.23 0.00 0.00 174.94 174.09 1tk8 s LYS 594 N -1.88 3.40 0.95 2.79 2.20 -1.26 -0.13 119.74 125.81 1tk8 s LYS 594 Ca 0.26 -0.12 -0.12 0.00 -0.36 0.00 0.00 55.97 55.64 1tk8 s LYS 594 Cb -0.12 -3.95 0.16 0.00 -1.51 0.00 0.00 37.83 32.40 1tk8 s LYS 594 CO 0.17 -1.16 1.09 0.20 -0.36 0.00 0.00 175.35 175.30 1tk8 s GLY 595 N 2.21 1.61 0.55 5.54 0.00 0.31 -4.86 107.32 112.68 1tk8 s GLY 595 Ca 0.30 -0.03 0.27 0.00 0.00 0.00 0.00 44.72 45.26 1tk8 s GLY 595 CO 0.23 0.50 1.98 1.41 0.00 0.00 0.00 173.10 177.21 1tk8 h LEU 596 N -1.77 0.00 -3.37 0.66 3.38 -1.90 0.13 115.31 112.43 1tk8 h LEU 596 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1tk8 h LEU 596 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1tk8 h LEU 596 CO 0.53 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.16 1tk8 n ASP 597 N -4.21 4.89 0.00 -0.43 5.68 -1.26 -4.95 116.55 116.26 1tk8 n ASP 597 Ca 0.10 -2.83 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 1tk8 n ASP 597 Cb 0.63 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1tk8 n ASP 597 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk8 n GLY 598 N 0.36 3.26 3.68 6.12 0.00 0.03 -2.49 105.19 116.15 1tk8 n GLY 598 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1tk8 n GLY 598 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tk8 s ARG 599 N -0.56 1.30 0.07 1.61 1.70 -1.26 -4.53 118.95 117.29 1tk8 s ARG 599 Ca 0.00 1.64 -0.24 0.00 -0.47 0.00 0.00 55.73 56.66 1tk8 s ARG 599 Cb 0.00 -1.75 -0.06 0.00 -0.57 0.00 0.00 34.95 32.57 1tk8 s ARG 599 CO 0.00 -2.45 0.73 0.15 -1.08 0.00 0.00 175.30 172.66 1tk8 s LYS 600 N -4.42 4.47 -0.26 3.89 1.02 -1.26 -0.53 119.74 122.65 1tk8 s LYS 600 Ca 0.70 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.74 1tk8 s LYS 600 Cb -0.25 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1tk8 s LYS 600 CO 0.55 0.40 -0.08 0.08 -0.92 0.00 0.00 175.35 175.37 1tk8 s VAL 601 N -0.43 2.02 0.27 3.17 1.01 0.81 -4.88 120.40 122.36 1tk8 s VAL 601 Ca 0.36 -1.61 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 1tk8 s VAL 601 Cb -0.21 -2.20 -0.12 0.00 0.00 0.00 0.00 36.38 33.85 1tk8 s VAL 601 CO 0.23 -0.11 1.51 1.57 0.00 0.00 0.00 175.10 178.30 1tk8 n HIS 602 N 4.47 2.52 -3.75 5.22 -0.00 -1.26 -0.62 115.22 121.80 1tk8 n HIS 602 Ca -0.12 0.33 -0.37 0.00 0.46 0.00 0.00 57.72 58.02 1tk8 n HIS 602 Cb 0.42 -2.53 -0.12 0.00 -0.12 0.00 0.00 29.99 27.64 1tk8 n HIS 602 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1tk8 s VAL 603 N -0.01 4.08 0.20 3.57 1.01 -0.73 -4.86 120.40 123.67 1tk8 s VAL 603 Ca 0.66 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1tk8 s VAL 603 Cb -0.57 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1tk8 s VAL 603 CO 0.49 0.11 1.48 0.03 0.00 0.00 0.00 175.10 177.21 1tk8 h ARG 604 N 8.25 0.21 -2.88 2.72 3.08 -1.94 -3.47 114.38 120.35 1tk8 h ARG 604 Ca -0.32 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.42 1tk8 h ARG 604 Cb 1.14 0.04 -0.23 0.00 0.08 0.00 0.00 29.97 31.00 1tk8 h ARG 604 CO 0.60 0.85 -0.27 0.45 -1.07 0.00 0.00 179.97 180.53 1tk8 s SER 605 N -6.91 -0.33 0.25 7.04 0.15 -1.26 -5.03 113.70 107.60 1tk8 s SER 605 Ca -0.03 0.54 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 1tk8 s SER 605 Cb 0.11 0.61 0.36 0.00 -1.71 0.00 0.00 66.02 65.40 1tk8 s SER 605 CO 0.81 -0.24 1.85 -0.65 1.20 0.00 0.00 173.24 176.22 1tk8 h PRO 606 N 4.99 0.96 -0.07 5.44 0.11 -2.00 -1.24 132.00 140.19 1tk8 h PRO 606 Ca -0.27 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1tk8 h PRO 606 Cb 1.18 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1tk8 h PRO 606 CO 0.32 0.64 -0.19 1.25 -0.21 0.00 0.00 178.00 179.80 1tk8 h HIS 607 N 0.99 0.12 -0.01 0.65 -0.00 -1.99 -2.59 115.15 112.32 1tk8 h HIS 607 Ca 0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 1tk8 h HIS 607 Cb 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1tk8 h HIS 607 CO -0.03 0.31 -0.21 0.00 -0.00 0.00 0.00 177.93 178.00 1tk8 n ALA 608 N -2.49 2.99 -0.23 5.26 0.00 -0.54 -4.45 120.51 121.06 1tk8 n ALA 608 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.03 1tk8 n ALA 608 Cb 0.29 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.67 1tk8 n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk8 h ALA 609 N 3.77 0.49 -0.99 0.00 0.00 -0.94 0.40 119.26 121.98 1tk8 h ALA 609 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1tk8 h ALA 609 Cb 0.50 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1tk8 h ALA 609 CO 0.00 -0.42 0.63 1.25 0.00 0.00 0.00 179.25 180.71 1tk8 h LEU 610 N 0.02 0.96 -0.90 0.00 5.85 -1.81 0.88 115.31 120.31 1tk8 h LEU 610 Ca 0.33 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 1tk8 h LEU 610 Cb 0.52 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1tk8 h LEU 610 CO -0.67 0.57 -0.39 -1.13 -0.34 0.00 0.00 178.44 176.48 1tk8 h ASN 611 N 1.06 0.34 -0.11 1.25 -0.73 -1.28 -1.12 115.58 115.00 1tk8 h ASN 611 Ca 0.46 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.47 1tk8 h ASN 611 Cb 0.33 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.82 1tk8 h ASN 611 CO -0.21 0.70 -0.01 0.74 -0.37 0.00 0.00 177.43 178.29 1tk8 h THR 612 N 0.28 1.26 -0.35 -3.57 2.02 0.21 -0.13 112.91 112.63 1tk8 h THR 612 Ca 0.03 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.38 1tk8 h THR 612 Cb 0.81 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1tk8 h THR 612 CO 0.06 0.24 0.21 0.25 0.37 0.00 0.00 175.52 176.66 1tk8 h LEU 613 N -0.09 0.35 0.26 2.58 5.85 -0.72 -1.89 115.31 121.65 1tk8 h LEU 613 Ca 0.03 -0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.41 1tk8 h LEU 613 Cb 0.38 -0.08 0.04 0.00 0.37 0.00 0.00 40.66 41.37 1tk8 h LEU 613 CO 0.01 0.25 -1.48 -0.07 -0.34 0.00 0.00 178.44 176.81 1tk8 h LEU 614 N 0.43 0.85 -0.83 2.25 3.38 -1.21 -2.55 115.31 117.63 1tk8 h LEU 614 Ca 0.13 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 57.12 1tk8 h LEU 614 Cb -0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1tk8 h LEU 614 CO -0.05 1.72 0.17 -0.61 0.09 0.00 0.00 178.44 179.75 1tk8 h GLN 615 N 0.14 1.04 -0.13 1.13 4.15 -1.06 -0.63 115.11 119.75 1tk8 h GLN 615 Ca -0.26 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 58.91 1tk8 h GLN 615 Cb 2.17 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 29.71 1tk8 h GLN 615 CO 0.28 0.92 0.02 1.03 -1.93 0.00 0.00 178.83 179.14 1tk8 h SER 616 N 0.99 0.21 -0.32 -0.69 0.87 -1.42 0.63 113.55 113.82 1tk8 h SER 616 Ca 0.21 -0.27 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1tk8 h SER 616 Cb 0.34 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 1tk8 h SER 616 CO -0.00 0.43 -0.02 0.00 -0.53 0.00 0.00 176.83 176.72 1tk8 h ALA 617 N 0.79 0.28 -0.59 6.23 0.00 -1.15 0.14 119.26 124.95 1tk8 h ALA 617 Ca 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1tk8 h ALA 617 Cb 0.31 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1tk8 h ALA 617 CO 0.00 -0.42 0.24 0.78 0.00 0.00 0.00 179.25 179.85 1tk8 h GLY 618 N 0.07 0.92 0.79 0.00 0.00 -0.95 -1.13 103.07 102.77 1tk8 h GLY 618 Ca 0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1tk8 h GLY 618 CO -0.28 0.44 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 1tk8 h ALA 619 N 1.41 0.22 -0.40 3.60 0.00 0.28 -1.13 119.26 123.25 1tk8 h ALA 619 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1tk8 h ALA 619 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tk8 h ALA 619 CO -0.02 -0.06 -0.21 -0.07 0.00 0.00 0.00 179.25 178.89 1tk8 h LEU 620 N 0.03 0.79 0.12 0.00 3.38 -0.91 0.57 115.31 119.29 1tk8 h LEU 620 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1tk8 h LEU 620 Cb 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1tk8 h LEU 620 CO 0.01 0.99 -0.06 0.40 0.09 0.00 0.00 178.44 179.87 1tk8 h ILE 621 N 0.68 0.92 -0.68 1.22 2.04 -1.14 -0.77 117.51 119.79 1tk8 h ILE 621 Ca 0.10 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1tk8 h ILE 621 Cb 0.72 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1tk8 h ILE 621 CO 0.06 0.04 0.35 0.00 0.00 0.00 0.00 178.15 178.59 1tk8 h LYS 623 N 0.95 0.51 0.00 0.00 3.64 -0.61 -0.89 116.57 120.17 1tk8 h LYS 623 Ca 0.24 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1tk8 h LYS 623 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1tk8 h LYS 623 CO -0.03 0.59 -0.36 1.25 -2.27 0.00 0.00 179.45 178.63 1tk8 h LEU 624 N 0.34 0.00 0.26 5.20 6.46 -0.84 -2.78 115.31 123.96 1tk8 h LEU 624 Ca 0.10 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1tk8 h LEU 624 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1tk8 h LEU 624 CO 0.00 0.36 -0.13 -0.25 -0.62 0.00 0.00 178.44 177.80 1tk8 h TRP 625 N 0.00 -0.33 -0.22 1.25 7.01 -0.16 0.32 115.95 123.83 1tk8 h TRP 625 Ca -0.00 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 1tk8 h TRP 625 Cb 0.65 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1tk8 h TRP 625 CO 0.00 -0.06 -0.10 -0.84 -2.79 0.00 0.00 178.44 174.65 1tk8 h ILE 626 N -0.57 1.19 0.23 2.65 3.07 -1.14 0.21 117.51 123.17 1tk8 h ILE 626 Ca -0.04 -0.83 -0.01 0.00 1.55 0.00 0.00 64.86 65.53 1tk8 h ILE 626 Cb 0.41 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1tk8 h ILE 626 CO 0.06 0.27 -0.11 0.40 -1.05 0.00 0.00 178.15 177.71 1tk8 h ILE 627 N 0.33 0.83 -0.45 0.16 2.04 -1.41 -2.26 117.51 116.75 1tk8 h ILE 627 Ca 0.07 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1tk8 h ILE 627 Cb 0.39 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1tk8 h ILE 627 CO 0.02 0.11 0.09 0.50 0.00 0.00 0.00 178.15 178.87 1tk8 h LYS 628 N -0.57 0.68 0.21 2.37 1.63 -0.61 -2.09 116.57 118.19 1tk8 h LYS 628 Ca -0.03 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1tk8 h LYS 628 Cb 0.42 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1tk8 h LYS 628 CO 0.05 0.64 -0.10 1.15 -3.45 0.00 0.00 179.45 177.74 1tk8 h THR 629 N 0.66 0.83 -0.83 1.00 2.02 -0.52 -0.71 112.91 115.36 1tk8 h THR 629 Ca 0.15 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1tk8 h THR 629 Cb 0.28 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1tk8 h THR 629 CO 0.00 0.04 0.52 -0.08 0.37 0.00 0.00 175.52 176.37 1tk8 h GLU 630 N -0.36 1.12 -0.39 6.66 4.81 -1.26 -1.29 114.58 123.86 1tk8 h GLU 630 Ca -0.03 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1tk8 h GLU 630 Cb 0.28 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1tk8 h GLU 630 CO 0.05 0.77 0.10 1.49 -0.73 0.00 0.00 179.01 180.69 1tk8 h GLU 631 N 1.14 0.63 -0.63 1.92 4.81 -1.15 -0.93 114.58 120.37 1tk8 h GLU 631 Ca 0.30 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1tk8 h GLU 631 Cb -0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1tk8 h GLU 631 CO -0.06 0.64 0.24 0.52 -0.73 0.00 0.00 179.01 179.62 1tk8 h MET 632 N 0.49 0.93 -0.26 1.92 2.86 -0.74 -0.59 114.93 119.54 1tk8 h MET 632 Ca 0.12 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1tk8 h MET 632 Cb 0.29 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1tk8 h MET 632 CO -0.00 0.77 0.09 -0.07 1.06 0.00 0.00 176.91 178.75 1tk8 h LEU 633 N 0.91 0.38 -0.90 1.22 3.38 -0.89 -2.24 115.31 117.17 1tk8 h LEU 633 Ca 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1tk8 h LEU 633 Cb 0.19 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1tk8 h LEU 633 CO -0.02 0.47 0.52 0.58 0.09 0.00 0.00 178.44 180.09 1tk8 h VAL 634 N 0.26 1.25 0.00 1.22 2.07 -0.79 -1.01 116.25 119.26 1tk8 h VAL 634 Ca 0.08 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1tk8 h VAL 634 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1tk8 h VAL 634 CO -0.00 0.27 0.00 -1.84 0.02 0.00 0.00 177.57 176.02 1tk8 n GLU 635 N -4.36 0.13 -0.14 1.57 0.28 -0.26 -1.27 120.64 116.58 1tk8 n GLU 635 Ca 0.10 0.36 0.10 0.00 -0.16 0.00 0.00 57.16 57.55 1tk8 n GLU 635 Cb 0.07 -1.75 0.29 0.00 1.43 0.00 0.00 31.44 31.49 1tk8 n GLU 635 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1tk8 n LYS 636 N -1.99 1.99 -0.13 3.44 5.02 -0.42 -4.92 118.16 121.15 1tk8 n LYS 636 Ca 0.03 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1tk8 n LYS 636 Cb 0.22 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1tk8 n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tk8 n GLY 637 N 1.24 0.86 3.77 0.72 0.00 -0.40 -5.06 105.19 106.33 1tk8 n GLY 637 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1tk8 n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk8 s LEU 638 N 0.00 4.41 -0.12 0.99 2.01 -0.94 -4.99 118.68 120.03 1tk8 s LEU 638 Ca 0.00 2.14 -0.04 0.00 0.01 0.00 0.00 54.13 56.24 1tk8 s LEU 638 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 46.19 42.33 1tk8 s LEU 638 CO 0.00 -0.23 0.02 -0.75 1.01 0.00 0.00 176.35 176.40 1tk8 s LYS 639 N -1.81 3.37 -0.43 1.70 2.20 -1.26 -4.03 119.74 119.48 1tk8 s LYS 639 Ca 0.49 -0.38 -0.24 0.00 -0.36 0.00 0.00 55.97 55.47 1tk8 s LYS 639 Cb -0.27 -2.95 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 1tk8 s LYS 639 CO 0.35 0.54 0.86 -1.58 -0.36 0.00 0.00 175.35 175.15 1tk8 s HIS 640 N -0.42 2.99 0.00 4.03 5.65 -1.26 -0.89 115.29 125.39 1tk8 s HIS 640 Ca 0.08 0.38 0.00 0.00 0.25 0.00 0.00 55.06 55.77 1tk8 s HIS 640 Cb -0.12 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.54 1tk8 s HIS 640 CO 0.02 -0.97 0.00 0.41 -0.65 0.00 0.00 174.74 173.55 1tk8 n GLY 641 N 4.82 3.66 0.20 1.59 0.00 0.17 -4.87 105.19 110.77 1tk8 n GLY 641 Ca 0.04 -1.10 0.14 0.00 0.00 0.00 0.00 46.02 45.11 1tk8 n GLY 641 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1tk8 h TRP 642 N 0.00 0.00 -0.61 1.61 -0.00 -1.92 0.11 115.95 115.15 1tk8 h TRP 642 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 1tk8 h TRP 642 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 1tk8 h TRP 642 CO 0.00 0.00 0.05 -0.40 -0.00 0.00 0.00 178.44 178.09 1tk8 n ASP 643 N -2.57 5.60 0.00 -3.49 5.75 -1.26 -4.63 116.55 115.95 1tk8 n ASP 643 Ca 0.00 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 1tk8 n ASP 643 Cb 0.20 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1tk8 n ASP 643 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tk8 n GLY 644 N 0.47 4.45 0.06 6.12 0.00 0.40 -5.07 105.19 111.62 1tk8 n GLY 644 Ca 0.30 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1tk8 n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tk8 n ASP 645 N 0.00 2.50 -4.03 1.61 8.00 -0.07 -4.78 116.55 119.77 1tk8 n ASP 645 Ca 0.00 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 1tk8 n ASP 645 Cb 0.00 0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 1tk8 n ASP 645 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1tk8 s PHE 646 N -2.28 0.54 -0.19 1.24 -0.71 -0.98 -1.06 117.98 114.54 1tk8 s PHE 646 Ca -0.12 -0.96 -0.07 0.00 -1.04 0.00 0.00 56.93 54.74 1tk8 s PHE 646 Cb 0.04 -0.27 0.09 0.00 -1.21 0.00 0.00 43.02 41.67 1tk8 s PHE 646 CO 0.41 -0.56 0.40 0.00 -1.34 0.00 0.00 175.22 174.13 1tk8 s ALA 647 N -3.97 -1.09 0.10 1.99 0.00 0.16 0.45 121.76 119.41 1tk8 s ALA 647 Ca 0.16 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 1tk8 s ALA 647 Cb 0.06 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 1tk8 s ALA 647 CO -0.03 -0.70 1.59 0.71 0.00 0.00 0.00 175.76 177.33 1tk8 s TYR 648 N 2.48 2.72 -0.13 0.00 1.51 -1.26 -0.72 117.35 121.94 1tk8 s TYR 648 Ca -0.02 0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1tk8 s TYR 648 Cb -0.12 -3.91 -0.12 0.00 -0.11 0.00 0.00 41.96 37.70 1tk8 s TYR 648 CO -0.12 -3.51 -0.04 -1.33 -1.11 0.00 0.00 175.55 169.43 1tk8 n MET 649 N 4.93 1.30 -3.54 -0.62 2.81 -0.54 -4.61 117.12 116.86 1tk8 n MET 649 Ca 0.15 0.04 -0.16 0.00 -1.81 0.00 0.00 57.70 55.91 1tk8 n MET 649 Cb 0.40 -1.30 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 1tk8 n MET 649 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tk8 s ALA 650 N -2.29 -1.80 -0.23 3.04 0.00 -1.07 -4.47 121.76 114.94 1tk8 s ALA 650 Ca -0.12 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1tk8 s ALA 650 Cb 0.04 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1tk8 s ALA 650 CO 0.42 -0.36 0.01 -0.46 0.00 0.00 0.00 175.76 175.37 1tk8 s TRP 651 N -0.97 1.71 -0.82 0.00 -0.00 -1.26 -1.49 118.94 116.10 1tk8 s TRP 651 Ca -0.08 -1.37 0.01 0.00 -0.00 0.00 0.00 56.10 54.66 1tk8 s TRP 651 Cb -0.01 -1.38 0.20 0.00 -0.00 0.00 0.00 33.47 32.29 1tk8 s TRP 651 CO 0.08 -0.72 0.68 0.28 -0.00 0.00 0.00 176.95 177.26 1tk8 n VAL 652 N 4.86 2.47 0.00 5.86 0.31 0.70 -4.96 118.33 127.57 1tk8 n VAL 652 Ca -0.09 -5.03 0.00 0.00 -0.01 0.00 0.00 64.34 59.21 1tk8 n VAL 652 Cb 0.45 -2.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.09 1tk8 n VAL 652 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1tk8 n HIS 653 N 2.09 0.00 -1.45 3.52 8.25 -1.26 -2.77 115.22 123.60 1tk8 n HIS 653 Ca 0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1tk8 n HIS 653 Cb 0.36 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.66 1tk8 n HIS 653 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tk8 n ASP 654 N 4.11 2.89 -3.82 0.41 5.75 -1.26 -4.83 116.55 119.80 1tk8 n ASP 654 Ca 0.00 -3.77 -0.12 0.00 -0.01 0.00 0.00 54.79 50.88 1tk8 n ASP 654 Cb 0.00 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.29 1tk8 n ASP 654 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1tk8 s GLU 655 N -3.30 0.14 0.05 0.11 2.12 -1.11 0.02 118.70 116.72 1tk8 s GLU 655 Ca 0.47 0.19 0.06 0.00 0.36 0.00 0.00 54.97 56.06 1tk8 s GLU 655 Cb 0.42 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 1tk8 s GLU 655 CO 0.01 -0.04 -0.17 0.96 -0.54 0.00 0.00 175.26 175.49 1tk8 s ILE 656 N 0.20 1.36 -0.16 -3.70 -4.36 0.01 -0.21 121.20 114.33 1tk8 s ILE 656 Ca -0.01 -1.12 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 1tk8 s ILE 656 Cb -0.02 -1.21 0.03 0.00 1.25 0.00 0.00 42.46 42.50 1tk8 s ILE 656 CO -0.01 0.07 -0.15 -1.10 0.24 0.00 0.00 174.94 174.00 1tk8 s GLN 657 N -1.22 2.39 -0.09 0.37 -1.52 -0.56 -1.22 119.66 117.82 1tk8 s GLN 657 Ca 0.04 -0.67 0.04 0.00 -1.95 0.00 0.00 55.36 52.82 1tk8 s GLN 657 Cb -0.08 -2.26 0.00 0.00 -0.22 0.00 0.00 33.01 30.45 1tk8 s GLN 657 CO 0.02 -0.27 -0.23 0.08 -0.25 0.00 0.00 175.29 174.64 1tk8 s VAL 658 N 1.43 1.95 0.16 1.09 1.01 0.10 -1.46 120.40 124.68 1tk8 s VAL 658 Ca 0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 1tk8 s VAL 658 Cb -0.13 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 1tk8 s VAL 658 CO -0.11 0.54 0.83 -0.83 0.00 0.00 0.00 175.10 175.53 1tk8 s GLY 659 N 0.31 2.96 -0.01 4.51 0.00 0.10 -0.34 107.32 114.84 1tk8 s GLY 659 Ca -0.16 0.43 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1tk8 s GLY 659 CO 0.08 1.02 -0.12 0.00 0.00 0.00 0.00 173.10 174.08 1tk8 h ARG 661 N 5.83 0.00 -4.04 0.00 2.43 -1.37 0.32 114.38 117.54 1tk8 h ARG 661 Ca -0.33 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.73 1tk8 h ARG 661 Cb 1.17 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1tk8 h ARG 661 CO 0.49 0.17 -0.47 0.95 -1.51 0.00 0.00 179.97 179.60 1tk8 s THR 662 N -4.45 0.13 0.18 0.20 -4.23 -1.26 -4.63 115.64 101.57 1tk8 s THR 662 Ca -0.03 -1.51 -0.13 0.00 -1.18 0.00 0.00 61.69 58.84 1tk8 s THR 662 Cb 0.15 -1.67 0.09 0.00 1.34 0.00 0.00 72.50 72.40 1tk8 s THR 662 CO 0.65 -0.57 1.81 -0.33 -0.54 0.00 0.00 174.62 175.65 1tk8 h GLU 663 N 2.79 0.82 -0.57 3.99 5.08 -1.97 -1.32 114.58 123.40 1tk8 h GLU 663 Ca -0.34 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.05 1tk8 h GLU 663 Cb 1.20 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.20 1tk8 h GLU 663 CO 0.56 0.59 0.14 1.49 -1.00 0.00 0.00 179.01 180.79 1tk8 h GLU 664 N 0.81 0.27 -0.61 2.33 4.81 -1.99 0.17 114.58 120.37 1tk8 h GLU 664 Ca 0.21 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1tk8 h GLU 664 Cb -0.01 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1tk8 h GLU 664 CO -0.04 0.18 0.16 0.82 -0.73 0.00 0.00 179.01 179.40 1tk8 h ILE 665 N 0.28 1.25 -0.80 2.32 2.04 -1.85 -1.59 117.51 119.16 1tk8 h ILE 665 Ca 0.29 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1tk8 h ILE 665 Cb 0.41 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1tk8 h ILE 665 CO -0.36 0.34 0.52 0.00 0.00 0.00 0.00 178.15 178.65 1tk8 h ALA 666 N 1.05 1.03 -0.87 1.87 0.00 -0.06 0.21 119.26 122.48 1tk8 h ALA 666 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1tk8 h ALA 666 Cb 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1tk8 h ALA 666 CO 0.00 0.38 0.45 0.37 0.00 0.00 0.00 179.25 180.44 1tk8 h GLN 667 N 1.04 1.24 -0.07 0.00 4.15 -0.23 -1.73 115.11 119.50 1tk8 h GLN 667 Ca 0.30 -0.16 -0.15 0.00 0.77 0.00 0.00 58.65 59.41 1tk8 h GLN 667 Cb -0.06 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 1tk8 h GLN 667 CO -0.09 0.93 -0.60 0.28 -1.93 0.00 0.00 178.83 177.42 1tk8 h VAL 668 N 1.23 1.38 -0.62 2.39 2.07 -0.29 -2.42 116.25 119.99 1tk8 h VAL 668 Ca 0.30 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 1tk8 h VAL 668 Cb 0.08 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1tk8 h VAL 668 CO -0.04 0.58 0.01 0.58 0.02 0.00 0.00 177.57 178.72 1tk8 h VAL 669 N 0.18 1.27 -0.35 2.57 2.07 -0.18 0.21 116.25 122.01 1tk8 h VAL 669 Ca -0.01 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1tk8 h VAL 669 Cb 1.10 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1tk8 h VAL 669 CO 0.09 0.42 0.07 0.40 0.02 0.00 0.00 177.57 178.57 1tk8 h ILE 670 N 0.98 1.23 -0.19 4.57 2.04 -1.25 -1.13 117.51 123.76 1tk8 h ILE 670 Ca 0.18 -0.80 -0.14 0.00 1.00 0.00 0.00 64.86 65.09 1tk8 h ILE 670 Cb 0.55 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1tk8 h ILE 670 CO 0.03 0.27 -0.48 -0.33 0.00 0.00 0.00 178.15 177.64 1tk8 h GLU 671 N 0.42 0.49 -0.19 2.37 5.08 -1.34 -2.95 114.58 118.45 1tk8 h GLU 671 Ca 0.11 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1tk8 h GLU 671 Cb 0.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tk8 h GLU 671 CO 0.00 0.87 -0.43 1.15 -1.00 0.00 0.00 179.01 179.61 1tk8 h THR 672 N 0.39 1.31 -0.26 1.13 2.02 -0.84 -2.12 112.91 114.54 1tk8 h THR 672 Ca 0.02 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.54 1tk8 h THR 672 Cb 0.99 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1tk8 h THR 672 CO 0.09 0.49 -0.13 0.00 0.37 0.00 0.00 175.52 176.35 1tk8 h ALA 673 N 1.16 1.31 -0.25 6.16 0.00 -1.10 -0.55 119.26 125.99 1tk8 h ALA 673 Ca 0.03 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1tk8 h ALA 673 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1tk8 h ALA 673 CO 0.08 0.46 -0.54 0.37 0.00 0.00 0.00 179.25 179.62 1tk8 h GLN 674 N 0.40 0.80 -0.72 0.00 5.75 -1.33 -1.63 115.11 118.38 1tk8 h GLN 674 Ca 0.08 -0.53 -0.04 0.00 -0.15 0.00 0.00 58.65 58.00 1tk8 h GLN 674 Cb 0.47 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1tk8 h GLN 674 CO 0.03 1.16 0.30 0.93 -2.65 0.00 0.00 178.83 178.60 1tk8 h GLU 675 N 0.55 1.07 -0.62 1.69 5.08 -1.04 -2.44 114.58 118.87 1tk8 h GLU 675 Ca 0.00 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1tk8 h GLU 675 Cb 1.16 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1tk8 h GLU 675 CO 0.12 0.87 0.15 0.00 -1.00 0.00 0.00 179.01 179.15 1tk8 h ALA 676 N 1.15 0.81 -0.40 3.43 0.00 -1.02 -1.05 119.26 122.18 1tk8 h ALA 676 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1tk8 h ALA 676 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1tk8 h ALA 676 CO -0.02 0.52 0.18 1.98 0.00 0.00 0.00 179.25 181.91 1tk8 h MET 677 N 0.90 0.58 -0.08 0.00 1.85 -1.07 -0.06 114.93 117.06 1tk8 h MET 677 Ca 0.19 -0.09 -0.07 0.00 -0.61 0.00 0.00 59.70 59.13 1tk8 h MET 677 Cb 0.35 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 1tk8 h MET 677 CO 0.00 0.53 -0.26 0.00 -0.40 0.00 0.00 176.91 176.78 1tk8 h ARG 678 N 0.51 0.14 -0.26 0.39 2.47 -1.31 -0.76 114.38 115.55 1tk8 h ARG 678 Ca 0.14 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1tk8 h ARG 678 Cb 0.14 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1tk8 h ARG 678 CO -0.02 0.39 0.01 2.35 0.56 0.00 0.00 179.97 183.26 1tk8 h TRP 679 N 0.12 0.48 -0.90 3.04 7.01 -0.51 -1.36 115.95 123.83 1tk8 h TRP 679 Ca 0.02 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 60.97 1tk8 h TRP 679 Cb 0.52 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 1tk8 h TRP 679 CO 0.00 0.60 0.59 0.28 -2.79 0.00 0.00 178.44 177.12 1tk8 h VAL 680 N 0.23 1.17 -0.61 2.65 2.07 -0.38 0.32 116.25 121.69 1tk8 h VAL 680 Ca 0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1tk8 h VAL 680 Cb 0.40 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1tk8 h VAL 680 CO 0.01 0.21 0.24 1.23 0.02 0.00 0.00 177.57 179.28 1tk8 h GLY 681 N 1.15 0.99 1.37 2.17 0.00 -0.91 -2.47 103.07 105.38 1tk8 h GLY 681 Ca 0.35 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1tk8 h GLY 681 CO -0.11 0.51 -0.45 -1.80 0.00 0.00 0.00 176.54 174.70 1tk8 h ASP 682 N 0.86 0.74 -0.94 0.19 3.58 -0.65 -0.68 116.42 119.52 1tk8 h ASP 682 Ca 0.20 -0.35 0.08 0.00 0.42 0.00 0.00 57.03 57.38 1tk8 h ASP 682 Cb 0.21 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 40.99 1tk8 h ASP 682 CO -0.02 1.08 0.61 -0.74 -2.88 0.00 0.00 179.24 177.29 1tk8 h HIS 683 N 0.55 1.08 -0.44 0.28 2.76 -0.04 -2.42 115.15 116.93 1tk8 h HIS 683 Ca 0.04 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1tk8 h HIS 683 Cb 0.99 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 1tk8 h HIS 683 CO 0.05 0.53 0.07 0.91 -1.30 0.00 0.00 177.93 178.19 1tk8 n TRP 684 N -4.52 1.49 -3.97 5.26 8.01 -0.96 -4.97 117.44 117.78 1tk8 n TRP 684 Ca 0.15 -1.11 -0.26 0.00 -1.31 0.00 0.00 57.50 54.97 1tk8 n TRP 684 Cb 0.24 -0.47 -0.03 0.00 -2.01 0.00 0.00 31.31 29.04 1tk8 n TRP 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1tk8 n ASN 685 N -0.47 -0.22 -4.75 -0.99 3.02 -0.91 -4.88 115.26 106.05 1tk8 n ASN 685 Ca 0.30 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 1tk8 n ASN 685 Cb 1.09 -2.97 -0.03 0.00 -0.61 0.00 0.00 39.78 37.26 1tk8 n ASN 685 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1tk8 s PHE 686 N -3.99 3.32 -2.04 3.10 5.36 -0.28 -4.91 117.98 118.55 1tk8 s PHE 686 Ca 0.00 1.47 0.10 0.00 -0.96 0.00 0.00 56.93 57.54 1tk8 s PHE 686 Cb -0.00 -3.50 0.35 0.00 -0.34 0.00 0.00 43.02 39.53 1tk8 s PHE 686 CO 0.89 -1.33 1.26 0.54 -1.46 0.00 0.00 175.22 175.12 1tk8 n ARG 687 N 1.58 1.50 -4.17 10.12 5.12 -1.26 -4.73 116.66 124.83 1tk8 n ARG 687 Ca 0.02 -0.77 -0.17 0.00 -1.93 0.00 0.00 57.85 54.99 1tk8 n ARG 687 Cb 0.43 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.37 1tk8 n ARG 687 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tk8 s LEU 689 N 0.22 4.41 -0.01 0.00 2.96 -1.26 -5.00 118.68 120.01 1tk8 s LEU 689 Ca -0.02 2.63 -0.01 0.00 -0.22 0.00 0.00 54.13 56.51 1tk8 s LEU 689 Cb -0.06 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1tk8 s LEU 689 CO -0.00 -0.59 0.09 -0.76 -1.32 0.00 0.00 176.35 173.77 1tk8 s LEU 690 N -1.03 3.97 0.18 -0.68 1.43 -1.26 -5.04 118.68 116.24 1tk8 s LEU 690 Ca 0.54 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1tk8 s LEU 690 Cb -0.40 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1tk8 s LEU 690 CO 0.47 0.28 0.14 -1.81 0.23 0.00 0.00 176.35 175.66 1tk8 s ASP 691 N -1.74 0.18 0.05 2.29 1.01 -1.26 -4.55 116.67 112.65 1tk8 s ASP 691 Ca 0.23 -1.26 -0.00 0.00 0.71 0.00 0.00 52.55 52.23 1tk8 s ASP 691 Cb -0.12 0.37 -0.04 0.00 1.01 0.00 0.00 42.92 44.14 1tk8 s ASP 691 CO 0.14 -0.82 -0.04 0.42 0.21 0.00 0.00 175.17 175.08 1tk8 s THR 692 N -4.10 0.26 -0.08 -1.27 -4.23 -1.26 -1.09 115.64 103.87 1tk8 s THR 692 Ca 0.31 -1.68 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1tk8 s THR 692 Cb 0.06 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.57 1tk8 s THR 692 CO 0.07 -0.90 -0.14 -0.70 -0.54 0.00 0.00 174.62 172.41 1tk8 s GLU 693 N -3.52 1.96 0.18 3.99 2.12 -0.13 -4.83 118.70 118.47 1tk8 s GLU 693 Ca 0.04 -0.49 0.11 0.00 0.36 0.00 0.00 54.97 54.99 1tk8 s GLU 693 Cb 0.05 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.77 1tk8 s GLU 693 CO -0.08 0.01 -0.20 0.20 -0.54 0.00 0.00 175.26 174.65 1tk8 s GLY 694 N 0.76 1.71 -0.04 -1.50 0.00 -1.26 -1.42 107.32 105.58 1tk8 s GLY 694 Ca -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 42.99 1tk8 s GLY 694 CO 0.02 -1.59 0.10 0.54 0.00 0.00 0.00 173.10 172.17 1tk8 s LYS 695 N -2.67 0.11 -0.11 2.90 1.02 0.46 -4.99 119.74 116.46 1tk8 s LYS 695 Ca 0.22 0.15 -0.03 0.00 0.02 0.00 0.00 55.97 56.33 1tk8 s LYS 695 Cb -0.08 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 1tk8 s LYS 695 CO 0.11 -0.03 0.01 1.41 -0.92 0.00 0.00 175.35 175.94 1tk8 s MET 696 N 0.15 3.24 0.02 1.68 -2.45 -1.26 -0.78 119.30 119.90 1tk8 s MET 696 Ca -0.01 -0.40 -0.27 0.00 -1.25 0.00 0.00 55.69 53.76 1tk8 s MET 696 Cb -0.02 -2.89 0.09 0.00 1.25 0.00 0.00 34.83 33.27 1tk8 s MET 696 CO -0.00 0.58 1.24 0.20 1.05 0.00 0.00 175.02 178.09 1tk8 s GLY 697 N -0.54 -0.10 0.11 2.11 0.00 -0.40 -4.87 107.32 103.63 1tk8 s GLY 697 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.78 1tk8 s GLY 697 CO 0.02 4.74 1.26 -0.56 0.00 0.00 0.00 173.10 178.56 1tk8 h PRO 698 N 2.00 0.36 0.00 2.90 0.13 -1.92 0.10 132.00 135.57 1tk8 h PRO 698 Ca -0.24 -0.44 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 1tk8 h PRO 698 Cb 1.19 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1tk8 h PRO 698 CO 0.32 1.13 -0.04 0.27 -0.23 0.00 0.00 178.00 179.45 1tk8 n ASN 699 N -3.68 -0.08 0.21 1.44 0.23 -1.26 -1.65 115.26 110.48 1tk8 n ASN 699 Ca -0.07 -1.21 0.10 0.00 -0.53 0.00 0.00 54.58 52.86 1tk8 n ASN 699 Cb 0.89 0.17 0.38 0.00 -2.08 0.00 0.00 39.78 39.15 1tk8 n ASN 699 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1tk8 h TRP 700 N 1.10 0.00 -0.36 -2.53 2.91 -0.99 -1.50 115.95 114.59 1tk8 h TRP 700 Ca -0.02 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1tk8 h TRP 700 Cb 0.12 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1tk8 h TRP 700 CO 0.00 0.23 -0.16 0.00 -1.03 0.00 0.00 178.44 177.47 1tk8 h ALA 701 N 1.77 1.05 0.00 2.65 0.00 -1.80 -3.08 119.26 119.85 1tk8 h ALA 701 Ca -0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 1tk8 h ALA 701 Cb 0.85 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1tk8 h ALA 701 CO 0.03 0.58 -1.76 -0.89 0.00 0.00 0.00 179.25 177.20 1tk8 n ILE 702 N -4.15 1.52 0.68 0.00 5.41 -1.17 -4.32 119.36 117.33 1tk8 n ILE 702 Ca 0.01 -0.79 0.04 0.00 1.00 0.00 0.00 62.75 63.01 1tk8 n ILE 702 Cb 0.38 -0.92 0.15 0.00 -0.71 0.00 0.00 39.64 38.53 1tk8 n ILE 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55