#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk5 s ILE 2 N 0.00 1.72 -0.05 1.12 -4.36 -0.47 -1.59 121.20 117.58 1tk5 s ILE 2 Ca 0.00 -1.95 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 1tk5 s ILE 2 Cb 0.00 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.87 1tk5 s ILE 2 CO 0.00 -0.39 -0.24 -0.69 0.24 0.00 0.00 174.94 173.86 1tk5 s VAL 3 N -2.26 1.94 0.27 8.37 1.01 0.09 -0.56 120.40 129.26 1tk5 s VAL 3 Ca 0.16 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1tk5 s VAL 3 Cb -0.04 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1tk5 s VAL 3 CO 0.06 0.54 0.40 -0.55 0.00 0.00 0.00 175.10 175.55 1tk5 s SER 4 N -0.22 0.32 -0.15 3.32 0.15 0.33 -0.55 113.70 116.91 1tk5 s SER 4 Ca -0.01 -1.23 -0.30 0.00 0.70 0.00 0.00 55.95 55.11 1tk5 s SER 4 Cb -0.13 0.57 0.12 0.00 -1.71 0.00 0.00 66.02 64.87 1tk5 s SER 4 CO 0.03 -1.13 0.95 -0.62 1.20 0.00 0.00 173.24 173.67 1tk5 s ASP 5 N -3.13 -0.41 0.18 5.45 2.15 -1.10 -4.42 116.67 115.39 1tk5 s ASP 5 Ca 0.29 0.45 0.06 0.00 0.43 0.00 0.00 52.55 53.78 1tk5 s ASP 5 Cb 0.01 0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 42.93 1tk5 s ASP 5 CO 0.14 -0.38 -0.12 0.27 -0.17 0.00 0.00 175.17 174.91 1tk5 s ILE 6 N -1.11 1.44 -0.09 4.11 -4.36 -1.26 -1.95 121.20 117.98 1tk5 s ILE 6 Ca -0.03 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.26 1tk5 s ILE 6 Cb -0.00 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1tk5 s ILE 6 CO 0.03 -0.65 -0.18 -1.61 0.24 0.00 0.00 174.94 172.76 1tk5 s GLU 7 N -3.70 2.42 0.32 0.37 0.41 0.12 -4.99 118.70 113.64 1tk5 s GLU 7 Ca 0.20 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 54.14 1tk5 s GLU 7 Cb 0.01 -1.90 -0.04 0.00 -1.78 0.00 0.00 34.13 30.43 1tk5 s GLU 7 CO 0.04 0.09 0.15 0.00 -0.49 0.00 0.00 175.26 175.04 1tk5 s ALA 8 N 0.55 2.12 -2.04 5.21 0.00 -1.26 -0.48 121.76 125.85 1tk5 s ALA 8 Ca -0.16 -1.71 0.31 0.00 0.00 0.00 0.00 51.96 50.40 1tk5 s ALA 8 Cb -0.17 1.06 1.77 0.00 0.00 0.00 0.00 23.12 25.78 1tk5 s ALA 8 CO 0.05 -0.47 2.15 0.27 0.00 0.00 0.00 175.76 177.76 1tk5 n ASN 9 N -0.95 0.13 -3.65 0.00 6.94 -0.73 -4.85 115.26 112.14 1tk5 n ASN 9 Ca -0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 1tk5 n ASN 9 Cb 0.65 -0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.08 1tk5 n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tk5 s ALA 10 N -2.00 -2.13 0.84 -2.53 0.00 -1.26 -4.73 121.76 109.94 1tk5 s ALA 10 Ca 0.46 0.09 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1tk5 s ALA 10 Cb 0.21 0.72 0.09 0.00 0.00 0.00 0.00 23.12 24.15 1tk5 s ALA 10 CO 0.35 -1.10 1.09 -0.51 0.00 0.00 0.00 175.76 175.60 1tk5 s LEU 11 N -3.46 2.69 0.25 0.00 1.43 -1.26 -4.47 118.68 113.86 1tk5 s LEU 11 Ca 0.23 1.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 1tk5 s LEU 11 Cb 0.00 -4.27 0.42 0.00 0.03 0.00 0.00 46.19 42.37 1tk5 s LEU 11 CO 0.00 -2.37 1.60 0.25 0.23 0.00 0.00 176.35 176.06 1tk5 h LEU 12 N -1.36 -0.63 -1.29 1.79 5.85 -1.94 -0.64 115.31 117.08 1tk5 h LEU 12 Ca -0.46 0.24 0.25 0.00 0.84 0.00 0.00 57.88 58.75 1tk5 h LEU 12 Cb 1.26 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 42.66 1tk5 h LEU 12 CO 0.52 -0.26 0.65 -0.33 -0.34 0.00 0.00 178.44 178.68 1tk5 h GLU 13 N 0.03 0.44 0.00 1.25 3.07 -2.00 -3.14 114.58 114.23 1tk5 h GLU 13 Ca 0.43 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1tk5 h GLU 13 Cb 0.71 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1tk5 h GLU 13 CO -0.81 0.29 -0.18 -1.13 -1.40 0.00 0.00 179.01 175.77 1tk5 n SER 14 N -4.67 1.13 -4.76 1.42 3.41 -0.64 -5.08 113.62 104.44 1tk5 n SER 14 Ca 0.25 -2.26 -0.41 0.00 -0.26 0.00 0.00 58.87 56.19 1tk5 n SER 14 Cb 0.82 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1tk5 n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tk5 s VAL 15 N -1.18 2.47 0.00 -3.33 0.11 -0.34 -4.82 120.40 113.32 1tk5 s VAL 15 Ca 0.12 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1tk5 s VAL 15 Cb 0.10 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1tk5 s VAL 15 CO 0.01 0.08 0.00 0.35 -3.33 0.00 0.00 175.10 172.21 1tk5 n THR 16 N 1.60 0.00 -3.94 5.04 -2.24 -1.26 -4.89 114.28 108.58 1tk5 n THR 16 Ca 0.04 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1tk5 n THR 16 Cb 0.40 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.21 1tk5 n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tk5 s LYS 17 N -0.41 0.32 -0.19 -0.78 1.02 -1.26 -4.80 119.74 113.64 1tk5 s LYS 17 Ca 0.00 0.06 -0.26 0.00 0.02 0.00 0.00 55.97 55.79 1tk5 s LYS 17 Cb 0.00 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.82 1tk5 s LYS 17 CO 0.00 -0.12 0.86 0.12 -0.92 0.00 0.00 175.35 175.29 1tk5 s PHE 18 N 0.96 3.39 -0.18 3.18 5.36 -1.26 -1.77 117.98 127.66 1tk5 s PHE 18 Ca -0.10 1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 56.97 1tk5 s PHE 18 Cb -0.13 -3.06 -0.13 0.00 -0.34 0.00 0.00 43.02 39.35 1tk5 s PHE 18 CO -0.02 -0.30 0.10 0.45 -1.46 0.00 0.00 175.22 173.99 1tk5 h HIS 19 N 7.42 0.00 -2.79 10.12 3.86 -1.11 -3.43 115.15 129.22 1tk5 h HIS 19 Ca -0.27 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.03 1tk5 h HIS 19 Cb 1.11 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.51 1tk5 h HIS 19 CO 0.73 0.91 0.31 0.00 0.86 0.00 0.00 177.93 180.74 1tk5 s GLY 21 N -2.88 -0.03 -0.00 0.00 0.00 -0.30 -0.70 107.32 103.41 1tk5 s GLY 21 Ca 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1tk5 s GLY 21 CO 0.02 -0.47 -0.04 0.14 0.00 0.00 0.00 173.10 172.75 1tk5 s VAL 22 N -3.10 0.33 -0.05 1.40 1.01 -0.82 -0.22 120.40 118.95 1tk5 s VAL 22 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1tk5 s VAL 22 Cb 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1tk5 s VAL 22 CO -0.07 0.10 -0.09 -0.63 0.00 0.00 0.00 175.10 174.41 1tk5 s ILE 23 N -0.04 0.89 -0.21 2.22 1.01 -0.46 -2.72 121.20 121.89 1tk5 s ILE 23 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 1tk5 s ILE 23 Cb -0.02 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1tk5 s ILE 23 CO -0.00 0.30 -0.04 -0.47 0.00 0.00 0.00 174.94 174.73 1tk5 s TYR 24 N 0.72 2.97 -0.24 3.97 5.04 0.29 -0.92 117.35 129.18 1tk5 s TYR 24 Ca -0.13 -0.77 -0.08 0.00 -2.44 0.00 0.00 57.07 53.65 1tk5 s TYR 24 Cb -0.15 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 1tk5 s TYR 24 CO 0.02 -0.44 0.08 0.34 -1.34 0.00 0.00 175.55 174.22 1tk5 s ASP 25 N 1.27 5.29 0.48 4.32 -1.08 -1.03 -0.73 116.67 125.20 1tk5 s ASP 25 Ca 0.03 -0.14 0.23 0.00 -0.52 0.00 0.00 52.55 52.15 1tk5 s ASP 25 Cb -0.14 -1.95 1.23 0.00 -1.46 0.00 0.00 42.92 40.60 1tk5 s ASP 25 CO -0.01 -0.00 2.01 1.88 0.52 0.00 0.00 175.17 179.57 1tk5 h TYR 26 N 8.00 0.00 0.00 -5.34 0.05 -1.64 0.34 116.97 118.38 1tk5 h TYR 26 Ca -0.37 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.29 1tk5 h TYR 26 Cb 1.18 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1tk5 h TYR 26 CO 0.66 0.17 -0.54 0.66 -1.05 0.00 0.00 178.16 178.06 1tk5 h SER 27 N 0.00 0.00 -0.00 3.88 4.64 -1.93 -3.25 113.55 116.90 1tk5 h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tk5 h SER 27 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1tk5 h SER 27 CO 0.02 0.54 -0.35 0.35 -0.87 0.00 0.00 176.83 176.53 1tk5 n THR 28 N -3.77 0.00 -3.16 2.95 -2.24 -1.08 -5.00 114.28 101.97 1tk5 n THR 28 Ca -0.01 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.22 1tk5 n THR 28 Cb 0.57 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.84 1tk5 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tk5 n ALA 29 N -1.03 -1.01 -2.67 6.98 0.00 0.12 -4.98 120.51 117.92 1tk5 n ALA 29 Ca 0.02 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1tk5 n ALA 29 Cb 0.14 -3.37 -0.12 0.00 0.00 0.00 0.00 19.45 16.09 1tk5 n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1tk5 s GLU 30 N -5.82 0.88 -0.09 0.00 2.02 -1.20 -4.97 118.70 109.52 1tk5 s GLU 30 Ca 0.34 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 1tk5 s GLU 30 Cb -0.16 -0.94 -0.05 0.00 0.10 0.00 0.00 34.13 33.08 1tk5 s GLU 30 CO 0.42 0.21 0.24 0.71 0.02 0.00 0.00 175.26 176.86 1tk5 s TYR 31 N -1.25 3.62 -0.07 1.61 1.51 -1.26 -2.46 117.35 119.05 1tk5 s TYR 31 Ca -0.00 0.68 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1tk5 s TYR 31 Cb -0.10 -2.09 0.02 0.00 -0.11 0.00 0.00 41.96 39.68 1tk5 s TYR 31 CO 0.03 0.65 -0.10 0.08 -1.11 0.00 0.00 175.55 175.10 1tk5 s VAL 32 N -0.87 1.03 -0.13 0.71 1.01 -0.10 -4.97 120.40 117.08 1tk5 s VAL 32 Ca 0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1tk5 s VAL 32 Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1tk5 s VAL 32 CO 0.07 0.34 0.17 -0.44 0.00 0.00 0.00 175.10 175.24 1tk5 s SER 33 N 0.91 6.39 -0.18 3.32 0.01 -1.26 -1.35 113.70 121.53 1tk5 s SER 33 Ca -0.10 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1tk5 s SER 33 Cb -0.15 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.00 1tk5 s SER 33 CO 0.01 0.33 -0.19 -0.31 0.41 0.00 0.00 173.24 173.49 1tk5 s TYR 34 N -0.60 2.77 0.74 2.43 1.51 0.70 -5.00 117.35 119.89 1tk5 s TYR 34 Ca 0.14 -1.67 -0.04 0.00 -1.01 0.00 0.00 57.07 54.50 1tk5 s TYR 34 Cb -0.12 -1.89 0.12 0.00 -0.11 0.00 0.00 41.96 39.96 1tk5 s TYR 34 CO 0.03 -0.80 1.02 1.03 -1.11 0.00 0.00 175.55 175.72 1tk5 s ARG 35 N 1.29 1.67 0.31 -0.62 0.52 -1.26 -1.15 118.95 119.71 1tk5 s ARG 35 Ca 0.04 -0.87 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1tk5 s ARG 35 Cb -0.14 -2.25 0.85 0.00 0.52 0.00 0.00 34.95 33.93 1tk5 s ARG 35 CO -0.12 -1.49 1.66 -1.00 0.02 0.00 0.00 175.30 174.37 1tk5 h PRO 36 N -0.64 0.27 0.00 3.54 0.13 -1.58 0.28 132.00 133.99 1tk5 h PRO 36 Ca -0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1tk5 h PRO 36 Cb 1.27 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1tk5 h PRO 36 CO 0.43 0.18 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1tk5 n SER 37 N -5.14 0.00 -1.53 1.44 3.41 -1.26 -3.04 113.62 107.50 1tk5 n SER 37 Ca 0.25 -0.39 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1tk5 n SER 37 Cb 0.79 -0.18 0.35 0.00 -0.26 0.00 0.00 64.21 64.91 1tk5 n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tk5 n ASP 38 N -1.18 4.51 -0.09 4.04 8.00 0.97 -4.60 116.55 128.20 1tk5 n ASP 38 Ca 0.16 -2.28 -0.06 0.00 0.71 0.00 0.00 54.79 53.32 1tk5 n ASP 38 Cb 0.17 -0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1tk5 n ASP 38 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1tk5 h PHE 39 N 4.25 -0.17 -0.90 1.24 3.57 -1.59 -0.14 116.94 123.20 1tk5 h PHE 39 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1tk5 h PHE 39 Cb 1.29 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 1tk5 h PHE 39 CO 0.68 -0.14 0.55 0.78 -2.23 0.00 0.00 178.31 177.95 1tk5 h GLY 40 N -0.00 1.39 1.75 2.40 0.00 -1.89 -1.05 103.07 105.67 1tk5 h GLY 40 Ca 0.16 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1tk5 h GLY 40 CO -0.34 0.23 -0.43 0.00 0.00 0.00 0.00 176.54 176.00 1tk5 h ALA 41 N 1.45 1.05 -0.12 3.60 0.00 -1.68 -1.62 119.26 121.94 1tk5 h ALA 41 Ca 0.41 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tk5 h ALA 41 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1tk5 h ALA 41 CO -0.20 0.61 0.05 -0.92 0.00 0.00 0.00 179.25 178.79 1tk5 h TYR 42 N 0.23 0.18 -0.79 0.00 3.20 0.17 -1.85 116.97 118.11 1tk5 h TYR 42 Ca 0.02 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1tk5 h TYR 42 Cb 0.86 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1tk5 h TYR 42 CO 0.02 0.24 0.36 -0.07 -1.64 0.00 0.00 178.16 177.08 1tk5 h LEU 43 N 0.06 1.05 -0.72 2.82 3.38 -1.13 -2.55 115.31 118.22 1tk5 h LEU 43 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1tk5 h LEU 43 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1tk5 h LEU 43 CO -0.00 0.90 0.37 0.44 0.09 0.00 0.00 178.44 180.23 1tk5 h ASP 44 N 1.13 0.92 -0.74 -0.43 3.32 -1.13 -1.34 116.42 118.15 1tk5 h ASP 44 Ca 0.27 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1tk5 h ASP 44 Cb 0.14 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1tk5 h ASP 44 CO -0.03 0.78 0.33 0.00 -1.72 0.00 0.00 179.24 178.60 1tk5 h ALA 45 N 1.18 1.17 -0.43 3.45 0.00 -1.06 0.50 119.26 124.07 1tk5 h ALA 45 Ca 0.25 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1tk5 h ALA 45 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1tk5 h ALA 45 CO -0.04 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.59 1tk5 h LEU 46 N 1.08 0.91 -1.44 0.00 3.38 -1.12 -2.70 115.31 115.41 1tk5 h LEU 46 Ca 0.26 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1tk5 h LEU 46 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tk5 h LEU 46 CO -0.03 1.09 -0.22 -0.33 0.09 0.00 0.00 178.44 179.05 1tk5 h GLU 47 N 0.71 0.00 -0.32 1.13 5.08 -0.79 -2.45 114.58 117.95 1tk5 h GLU 47 Ca 0.10 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1tk5 h GLU 47 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1tk5 h GLU 47 CO 0.06 0.22 -0.45 0.00 -1.00 0.00 0.00 179.01 177.84 1tk5 h ALA 48 N 1.78 0.60 -0.75 3.43 0.00 -0.64 -0.61 119.26 123.07 1tk5 h ALA 48 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1tk5 h ALA 48 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1tk5 h ALA 48 CO 0.03 0.68 0.32 1.49 0.00 0.00 0.00 179.25 181.76 1tk5 h GLU 49 N 0.66 1.10 -0.45 0.00 4.57 -1.15 -1.95 114.58 117.37 1tk5 h GLU 49 Ca 0.04 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 57.97 1tk5 h GLU 49 Cb 1.03 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1tk5 h GLU 49 CO 0.10 0.89 0.01 0.28 -1.18 0.00 0.00 179.01 179.11 1tk5 h VAL 50 N 1.07 1.23 0.00 0.32 2.07 -1.17 0.42 116.25 120.19 1tk5 h VAL 50 Ca 0.25 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1tk5 h VAL 50 Cb 0.18 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1tk5 h VAL 50 CO -0.02 0.33 -0.25 0.00 0.02 0.00 0.00 177.57 177.65 1tk5 h ALA 51 N 1.32 1.28 -0.00 1.67 0.00 -0.52 -1.49 119.26 121.52 1tk5 h ALA 51 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tk5 h ALA 51 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1tk5 h ALA 51 CO 0.02 0.31 -0.09 0.54 0.00 0.00 0.00 179.25 180.03 1tk5 n ARG 52 N -3.78 0.62 -2.23 0.00 1.74 -0.79 -4.87 116.66 107.34 1tk5 n ARG 52 Ca -0.01 -0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 56.85 1tk5 n ARG 52 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1tk5 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tk5 n GLY 53 N 1.28 0.26 0.00 -0.13 0.00 -0.56 -4.99 105.19 101.05 1tk5 n GLY 53 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1tk5 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk5 n GLY 54 N -0.97 0.65 3.10 -0.02 0.00 0.09 -2.00 105.19 106.04 1tk5 n GLY 54 Ca -0.05 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 1tk5 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk5 s LEU 55 N 0.00 2.10 -0.15 0.99 1.43 -1.26 -4.31 118.68 117.49 1tk5 s LEU 55 Ca 0.00 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1tk5 s LEU 55 Cb 0.00 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1tk5 s LEU 55 CO 0.00 0.08 -0.20 -0.63 0.23 0.00 0.00 176.35 175.82 1tk5 s ILE 56 N -0.60 2.18 -0.19 -0.59 1.01 0.14 -1.36 121.20 121.80 1tk5 s ILE 56 Ca 0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 1tk5 s ILE 56 Cb -0.06 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1tk5 s ILE 56 CO 0.00 0.54 0.04 -0.69 0.00 0.00 0.00 174.94 174.83 1tk5 s VAL 57 N 0.86 4.47 0.20 2.92 1.01 0.28 -0.50 120.40 129.63 1tk5 s VAL 57 Ca -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1tk5 s VAL 57 Cb -0.15 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1tk5 s VAL 57 CO -0.02 0.45 -0.09 -0.36 0.00 0.00 0.00 175.10 175.07 1tk5 s PHE 58 N 0.60 1.53 -0.30 5.22 0.08 -0.32 -0.51 117.98 124.27 1tk5 s PHE 58 Ca 0.02 -0.74 -0.06 0.00 0.12 0.00 0.00 56.93 56.27 1tk5 s PHE 58 Cb -0.13 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 1tk5 s PHE 58 CO 0.02 0.15 0.07 -1.58 -0.10 0.00 0.00 175.22 173.78 1tk5 s HIS 59 N -3.22 3.16 -1.09 0.36 5.65 -1.26 -0.88 115.29 118.01 1tk5 s HIS 59 Ca 0.22 -1.15 0.00 0.00 0.25 0.00 0.00 55.06 54.39 1tk5 s HIS 59 Cb 0.02 -2.24 0.00 0.00 -1.18 0.00 0.00 32.58 29.19 1tk5 s HIS 59 CO 0.05 -0.63 0.00 -1.71 -0.65 0.00 0.00 174.74 171.81 1tk5 n ASN 60 N 4.83 -3.99 0.15 9.88 5.15 -1.26 -4.90 115.26 125.12 1tk5 n ASN 60 Ca -0.14 0.06 -0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1tk5 n ASN 60 Cb 0.47 -3.06 0.20 0.00 -0.53 0.00 0.00 39.78 36.87 1tk5 n ASN 60 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk5 h GLY 61 N 0.00 0.00 1.01 8.20 0.00 -1.90 -2.11 103.07 108.27 1tk5 h GLY 61 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1tk5 h GLY 61 CO 0.34 0.00 0.61 0.45 0.00 0.00 0.00 176.54 177.95 1tk5 h HIS 62 N 0.00 1.16 0.01 5.60 3.86 -1.91 -0.75 115.15 123.12 1tk5 h HIS 62 Ca -0.01 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.93 1tk5 h HIS 62 Cb 1.04 -0.39 -0.05 0.00 1.06 0.00 0.00 27.41 29.07 1tk5 h HIS 62 CO 0.00 0.73 -1.77 1.63 0.86 0.00 0.00 177.93 179.38 1tk5 n LYS 63 N -4.44 0.64 0.00 2.45 5.02 -1.21 -4.61 118.16 116.02 1tk5 n LYS 63 Ca 0.10 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1tk5 n LYS 63 Cb 0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1tk5 n LYS 63 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1tk5 n TYR 64 N -3.05 0.00 -0.25 2.13 9.36 -0.80 -4.74 117.16 119.81 1tk5 n TYR 64 Ca -0.19 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.00 1tk5 n TYR 64 Cb 1.06 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.80 1tk5 n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1tk5 h ASP 65 N 0.00 -1.14 0.19 2.98 5.19 -1.66 0.74 116.42 122.72 1tk5 h ASP 65 Ca 0.00 0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 1tk5 h ASP 65 Cb 0.00 0.60 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1tk5 h ASP 65 CO 0.00 -0.29 -0.09 0.58 -3.12 0.00 0.00 179.24 176.32 1tk5 h VAL 66 N -0.10 0.83 -0.56 -1.35 2.07 -1.43 -1.11 116.25 114.60 1tk5 h VAL 66 Ca 0.28 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.64 1tk5 h VAL 66 Cb 0.56 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1tk5 h VAL 66 CO -0.76 0.02 0.02 -0.65 0.02 0.00 0.00 177.57 176.21 1tk5 h PRO 67 N -0.29 0.95 -0.81 1.57 0.11 -1.70 -2.74 132.00 129.09 1tk5 h PRO 67 Ca -0.03 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1tk5 h PRO 67 Cb 0.22 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 1tk5 h PRO 67 CO 0.04 0.93 0.37 0.00 -0.21 0.00 0.00 178.00 179.13 1tk5 h ALA 68 N 1.13 1.12 -0.41 -0.75 0.00 -0.76 -2.00 119.26 117.59 1tk5 h ALA 68 Ca 0.17 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1tk5 h ALA 68 Cb 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1tk5 h ALA 68 CO 0.02 0.65 -0.11 -0.07 0.00 0.00 0.00 179.25 179.74 1tk5 h LEU 69 N 1.16 0.71 -0.13 0.00 3.38 -0.97 0.17 115.31 119.62 1tk5 h LEU 69 Ca 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1tk5 h LEU 69 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1tk5 h LEU 69 CO -0.03 0.85 0.05 0.74 0.09 0.00 0.00 178.44 180.14 1tk5 h THR 70 N 0.65 1.15 0.07 0.22 2.02 -1.21 0.39 112.91 116.20 1tk5 h THR 70 Ca 0.11 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1tk5 h THR 70 Cb 0.57 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1tk5 h THR 70 CO 0.04 0.14 -0.03 0.50 0.37 0.00 0.00 175.52 176.53 1tk5 h LYS 71 N 0.06 -0.09 -0.47 6.66 3.64 -1.09 -2.77 116.57 122.52 1tk5 h LYS 71 Ca 0.04 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1tk5 h LYS 71 Cb 0.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1tk5 h LYS 71 CO -0.00 0.06 0.01 -0.07 -2.27 0.00 0.00 179.45 177.18 1tk5 h LEU 72 N -0.21 0.72 -0.70 5.20 3.38 -0.65 -1.43 115.31 121.63 1tk5 h LEU 72 Ca -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1tk5 h LEU 72 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1tk5 h LEU 72 CO 0.01 0.78 0.35 0.00 0.09 0.00 0.00 178.44 179.68 1tk5 h ALA 73 N 1.30 0.90 -0.08 1.53 0.00 -0.86 0.42 119.26 122.47 1tk5 h ALA 73 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1tk5 h ALA 73 Cb 0.42 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tk5 h ALA 73 CO 0.02 0.44 -0.08 -0.22 0.00 0.00 0.00 179.25 179.41 1tk5 h LYS 74 N 0.97 0.19 -0.05 0.00 1.63 -1.21 -0.80 116.57 117.30 1tk5 h LYS 74 Ca 0.24 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1tk5 h LYS 74 Cb 0.09 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1tk5 h LYS 74 CO -0.03 0.63 0.01 -0.07 -3.45 0.00 0.00 179.45 176.54 1tk5 h LEU 75 N -0.24 0.07 0.11 5.20 3.38 -1.16 -1.10 115.31 121.57 1tk5 h LEU 75 Ca 0.01 -0.21 -0.30 0.00 0.09 0.00 0.00 57.88 57.47 1tk5 h LEU 75 Cb 0.60 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1tk5 h LEU 75 CO 0.02 0.26 -1.51 1.56 0.09 0.00 0.00 178.44 178.86 1tk5 h GLN 76 N -0.12 0.23 -0.01 1.13 4.20 -1.02 -3.40 115.11 116.12 1tk5 h GLN 76 Ca 0.02 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1tk5 h GLN 76 Cb 0.22 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1tk5 h GLN 76 CO -0.00 1.09 0.00 1.28 -0.67 0.00 0.00 178.83 180.53 1tk5 n LEU 77 N -3.44 1.26 -3.90 1.46 4.77 -0.40 -4.98 117.00 111.77 1tk5 n LEU 77 Ca -0.16 -1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 54.47 1tk5 n LEU 77 Cb 1.04 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.15 1tk5 n LEU 77 CO 0.50 0.29 0.04 -3.20 -1.33 0.00 0.00 177.39 173.70 1tk5 n ASN 78 N 0.10 -3.69 -4.38 -1.43 5.15 -0.42 -4.94 115.26 105.66 1tk5 n ASN 78 Ca 0.01 -0.82 -0.30 0.00 -0.60 0.00 0.00 54.58 52.87 1tk5 n ASN 78 Cb 0.07 -3.79 -0.14 0.00 -0.53 0.00 0.00 39.78 35.39 1tk5 n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1tk5 s ARG 79 N -6.51 1.90 -0.30 1.20 3.52 -0.62 -4.93 118.95 113.22 1tk5 s ARG 79 Ca 0.49 -1.06 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 1tk5 s ARG 79 Cb -0.25 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1tk5 s ARG 79 CO 0.84 0.52 0.57 -1.21 -0.81 0.00 0.00 175.30 175.21 1tk5 s GLU 80 N -1.28 3.91 -0.09 5.12 0.41 -1.26 -2.56 118.70 122.95 1tk5 s GLU 80 Ca 0.13 0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 1tk5 s GLU 80 Cb -0.10 -3.72 0.02 0.00 -1.78 0.00 0.00 34.13 28.56 1tk5 s GLU 80 CO 0.03 -0.51 -0.07 0.12 -0.49 0.00 0.00 175.26 174.34 1tk5 s PHE 81 N 2.47 1.31 -0.34 1.61 5.36 -1.26 -5.07 117.98 122.07 1tk5 s PHE 81 Ca 0.23 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1tk5 s PHE 81 Cb -0.15 -1.10 0.14 0.00 -0.34 0.00 0.00 43.02 41.56 1tk5 s PHE 81 CO 0.11 -0.42 0.28 -1.01 -1.46 0.00 0.00 175.22 172.72 1tk5 s HIS 82 N 1.51 -0.00 0.18 10.12 3.76 -1.26 -4.31 115.29 125.29 1tk5 s HIS 82 Ca 0.00 -0.88 -0.31 0.00 -0.15 0.00 0.00 55.06 53.73 1tk5 s HIS 82 Cb -0.13 -0.61 -0.09 0.00 1.11 0.00 0.00 32.58 32.85 1tk5 s HIS 82 CO -0.05 -0.91 1.46 -0.51 -0.85 0.00 0.00 174.74 173.89 1tk5 s LEU 83 N 1.65 4.38 0.45 0.89 1.43 -1.26 -4.97 118.68 121.25 1tk5 s LEU 83 Ca 0.14 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 55.56 1tk5 s LEU 83 Cb -0.17 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 1tk5 s LEU 83 CO -0.14 -0.72 1.10 -2.84 0.23 0.00 0.00 176.35 173.98 1tk5 s PRO 84 N 0.58 3.88 0.22 1.29 0.02 -1.26 -4.94 135.00 134.79 1tk5 s PRO 84 Ca 0.64 1.59 -0.08 0.00 0.02 0.00 0.00 61.00 63.18 1tk5 s PRO 84 Cb -0.41 -2.37 0.29 0.00 0.02 0.00 0.00 34.50 32.03 1tk5 s PRO 84 CO 0.35 -0.41 1.80 -0.09 -0.33 0.00 0.00 177.00 178.33 1tk5 h ARG 85 N 2.06 0.67 0.00 5.54 2.43 -1.95 -2.38 114.38 120.74 1tk5 h ARG 85 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1tk5 h ARG 85 Cb 1.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1tk5 h ARG 85 CO 0.60 0.44 0.00 1.05 -1.51 0.00 0.00 179.97 180.56 1tk5 h GLU 86 N 0.69 0.00 -0.02 0.20 9.09 -2.00 -2.32 114.58 120.22 1tk5 h GLU 86 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1tk5 h GLU 86 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1tk5 h GLU 86 CO -0.21 0.00 -0.15 0.09 0.05 0.00 0.00 179.01 178.79 1tk5 n ASN 87 N -3.06 1.88 -4.56 3.06 4.13 -0.90 -4.87 115.26 110.94 1tk5 n ASN 87 Ca -0.02 -1.49 -0.34 0.00 1.68 0.00 0.00 54.58 54.41 1tk5 n ASN 87 Cb 0.11 0.12 -0.12 0.00 -1.54 0.00 0.00 39.78 38.36 1tk5 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1tk5 s ILE 89 N -0.64 1.93 -0.18 0.00 1.01 0.34 -4.93 121.20 118.74 1tk5 s ILE 89 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1tk5 s ILE 89 Cb -0.11 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1tk5 s ILE 89 CO 0.02 0.41 -0.10 -0.62 0.00 0.00 0.00 174.94 174.65 1tk5 s ASP 90 N -0.93 3.09 0.54 3.58 -1.08 -1.26 -1.18 116.67 119.44 1tk5 s ASP 90 Ca 0.10 -0.74 0.32 0.00 -0.52 0.00 0.00 52.55 51.71 1tk5 s ASP 90 Cb -0.09 -1.14 1.41 0.00 -1.46 0.00 0.00 42.92 41.64 1tk5 s ASP 90 CO 0.01 -0.14 2.01 0.71 0.52 0.00 0.00 175.17 178.28 1tk5 h THR 91 N 6.32 0.20 -0.09 1.71 1.35 -1.38 -1.24 112.91 119.78 1tk5 h THR 91 Ca -0.29 -0.58 -0.24 0.00 -0.55 0.00 0.00 66.41 64.75 1tk5 h THR 91 Cb 1.11 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1tk5 h THR 91 CO 0.47 0.06 -0.87 0.25 -0.25 0.00 0.00 175.52 175.18 1tk5 h LEU 92 N 0.00 0.92 -0.67 3.87 5.85 -1.91 -0.81 115.31 122.56 1tk5 h LEU 92 Ca -0.00 -0.68 -0.07 0.00 0.84 0.00 0.00 57.88 57.98 1tk5 h LEU 92 Cb 0.48 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1tk5 h LEU 92 CO 0.01 1.46 0.16 0.58 -0.34 0.00 0.00 178.44 180.30 1tk5 h VAL 93 N 0.45 1.26 -0.51 1.05 2.07 -1.83 -1.88 116.25 116.86 1tk5 h VAL 93 Ca -0.08 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1tk5 h VAL 93 Cb 1.51 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1tk5 h VAL 93 CO 0.18 0.37 0.10 -0.07 0.02 0.00 0.00 177.57 178.17 1tk5 h LEU 94 N 1.01 0.79 -0.97 2.57 3.38 -1.17 -2.62 115.31 118.30 1tk5 h LEU 94 Ca 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1tk5 h LEU 94 Cb 0.37 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1tk5 h LEU 94 CO 0.00 0.83 0.36 0.28 0.09 0.00 0.00 178.44 180.00 1tk5 h SER 95 N 0.71 0.99 0.93 -0.43 0.02 -0.99 -0.41 113.55 114.36 1tk5 h SER 95 Ca 0.16 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1tk5 h SER 95 Cb 0.36 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1tk5 h SER 95 CO 0.01 0.84 -0.10 0.03 -1.14 0.00 0.00 176.83 176.47 1tk5 h ARG 96 N 1.09 0.00 0.00 3.45 3.08 -1.19 0.25 114.38 121.06 1tk5 h ARG 96 Ca 0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.18 1tk5 h ARG 96 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1tk5 h ARG 96 CO -0.03 0.10 -0.76 1.25 -1.07 0.00 0.00 179.97 179.46 1tk5 h LEU 97 N 0.00 0.00 -0.35 3.04 5.85 -1.05 -3.25 115.31 119.55 1tk5 h LEU 97 Ca -0.00 -0.62 -0.19 0.00 0.84 0.00 0.00 57.88 57.91 1tk5 h LEU 97 Cb 0.60 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1tk5 h LEU 97 CO 0.01 1.25 -0.61 0.40 -0.34 0.00 0.00 178.44 179.16 1tk5 h ILE 98 N -1.00 1.30 -1.47 4.05 2.04 -1.06 -3.25 117.51 118.12 1tk5 h ILE 98 Ca -0.20 -1.84 -0.66 0.00 1.00 0.00 0.00 64.86 63.16 1tk5 h ILE 98 Cb 1.11 1.78 -0.35 0.00 -0.74 0.00 0.00 36.82 38.63 1tk5 h ILE 98 CO -0.12 0.58 0.18 1.41 0.00 0.00 0.00 178.15 180.20 1tk5 n HIS 99 N -3.96 3.13 0.23 1.37 8.25 0.87 -4.78 115.22 120.33 1tk5 n HIS 99 Ca -0.05 -2.68 0.08 0.00 -0.26 0.00 0.00 57.72 54.81 1tk5 n HIS 99 Cb 0.65 -0.76 0.37 0.00 1.12 0.00 0.00 29.99 31.37 1tk5 n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1tk5 n SER 100 N -0.62 0.35 -0.03 0.41 3.41 -1.23 -1.37 113.62 114.55 1tk5 n SER 100 Ca 0.49 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.87 1tk5 n SER 100 Cb 0.56 -0.69 0.56 0.00 -0.26 0.00 0.00 64.21 64.38 1tk5 n SER 100 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1tk5 n ASN 101 N -1.93 0.21 -4.71 4.04 6.94 -1.26 -4.16 115.26 114.39 1tk5 n ASN 101 Ca 0.01 0.03 -0.25 0.00 -0.02 0.00 0.00 54.58 54.35 1tk5 n ASN 101 Cb 0.09 -0.22 -0.07 0.00 -2.36 0.00 0.00 39.78 37.23 1tk5 n ASN 101 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1tk5 s LEU 102 N -2.83 3.46 0.63 -4.53 1.43 -0.47 -5.03 118.68 111.33 1tk5 s LEU 102 Ca 0.18 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1tk5 s LEU 102 Cb 0.19 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1tk5 s LEU 102 CO 0.55 0.04 0.87 -0.54 0.23 0.00 0.00 176.35 177.50 1tk5 s LYS 103 N -3.31 2.20 0.15 1.70 -0.14 -1.26 -5.04 119.74 114.04 1tk5 s LYS 103 Ca 0.30 -0.87 -0.15 0.00 -1.36 0.00 0.00 55.97 53.89 1tk5 s LYS 103 Cb -0.08 -2.41 0.02 0.00 -1.68 0.00 0.00 37.83 33.68 1tk5 s LYS 103 CO 0.21 -1.03 0.41 0.16 -0.76 0.00 0.00 175.35 174.34 1tk5 s ASP 104 N -4.55 -0.17 0.00 2.83 1.47 -1.26 -4.68 116.67 110.31 1tk5 s ASP 104 Ca 0.61 -0.50 0.26 0.00 1.18 0.00 0.00 52.55 54.10 1tk5 s ASP 104 Cb -0.08 0.49 1.44 0.00 -0.34 0.00 0.00 42.92 44.43 1tk5 s ASP 104 CO 0.41 -0.92 1.89 0.35 0.68 0.00 0.00 175.17 177.58 1tk5 n THR 105 N -0.25 0.09 -3.46 2.11 -2.24 -1.26 -4.88 114.28 104.39 1tk5 n THR 105 Ca -0.12 0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 1tk5 n THR 105 Cb 0.63 -0.61 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1tk5 n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk5 n ASP 106 N -1.12 -2.35 -3.56 3.42 2.03 -1.26 -1.30 116.55 112.40 1tk5 n ASP 106 Ca 0.16 -0.62 -0.22 0.00 0.52 0.00 0.00 54.79 54.63 1tk5 n ASP 106 Cb 0.14 -5.06 0.08 0.00 -0.72 0.00 0.00 41.12 35.55 1tk5 n ASP 106 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tk5 n MET 107 N -4.21 -7.61 -0.46 -0.67 2.81 -1.26 -2.85 117.12 102.88 1tk5 n MET 107 Ca -0.27 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 1tk5 n MET 107 Cb 0.66 -5.88 0.00 0.00 -0.71 0.00 0.00 33.22 27.30 1tk5 n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tk5 n GLY 108 N -1.79 1.36 0.25 3.03 0.00 -1.08 -4.89 105.19 102.07 1tk5 n GLY 108 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1tk5 n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tk5 h LEU 109 N 0.00 0.00 -8.99 0.99 3.38 -1.26 -3.43 115.31 106.00 1tk5 h LEU 109 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1tk5 h LEU 109 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 1tk5 h LEU 109 CO 0.00 0.11 -0.81 -0.76 0.09 0.00 0.00 178.44 177.07 1tk5 s LEU 110 N -6.56 2.62 -0.04 1.67 1.43 -0.42 -5.05 118.68 112.32 1tk5 s LEU 110 Ca 0.00 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1tk5 s LEU 110 Cb 0.10 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1tk5 s LEU 110 CO 0.58 0.23 1.28 -0.13 0.23 0.00 0.00 176.35 178.54 1tk5 s ARG 111 N -1.66 4.32 0.16 1.70 3.00 -1.26 -4.77 118.95 120.44 1tk5 s ARG 111 Ca 0.15 1.78 -0.18 0.00 0.00 0.00 0.00 55.73 57.48 1tk5 s ARG 111 Cb -0.10 -3.58 0.07 0.00 0.00 0.00 0.00 34.95 31.34 1tk5 s ARG 111 CO 0.07 -0.51 1.67 0.77 0.00 0.00 0.00 175.30 177.29 1tk5 h SER 112 N 7.64 -0.42 -0.17 0.23 0.02 -1.95 -2.44 113.55 116.47 1tk5 h SER 112 Ca -0.35 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1tk5 h SER 112 Cb 1.16 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.95 1tk5 h SER 112 CO 0.89 -0.15 0.24 1.23 -1.14 0.00 0.00 176.83 177.90 1tk5 h GLY 113 N -0.05 0.00 1.53 -3.77 0.00 -2.02 -1.73 103.07 97.03 1tk5 h GLY 113 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1tk5 h GLY 113 CO -0.38 0.00 -0.37 1.70 0.00 0.00 0.00 176.54 177.49 1tk5 h LYS 114 N 0.00 0.00 -6.80 4.80 3.64 -1.84 -3.46 116.57 112.91 1tk5 h LYS 114 Ca 0.08 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.98 1tk5 h LYS 114 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1tk5 h LYS 114 CO -0.00 0.00 0.35 -0.51 -2.27 0.00 0.00 179.45 177.02 1tk5 s LEU 115 N -4.63 4.53 0.48 5.20 1.43 -0.65 -5.06 118.68 119.98 1tk5 s LEU 115 Ca 0.07 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 1tk5 s LEU 115 Cb 0.12 -3.77 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1tk5 s LEU 115 CO 0.68 0.07 0.85 -2.16 0.23 0.00 0.00 176.35 176.01 1tk5 s PRO 116 N -1.53 3.70 1.05 1.29 0.04 -1.26 -4.95 135.00 133.34 1tk5 s PRO 116 Ca 0.45 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1tk5 s PRO 116 Cb -0.23 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1tk5 s PRO 116 CO 0.29 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1tk5 n GLY 117 N -1.87 -1.87 3.96 0.56 0.00 -1.26 -4.65 105.19 100.07 1tk5 n GLY 117 Ca 0.03 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 1tk5 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 s ALA 124 N -1.27 3.78 -0.02 4.61 0.00 -1.26 -5.03 121.76 122.57 1tk5 s ALA 124 Ca 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.78 1tk5 s ALA 124 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 1tk5 s ALA 124 CO 0.00 -0.77 -0.16 -0.51 0.00 0.00 0.00 175.76 174.33 1tk5 s LEU 125 N -4.80 1.99 0.09 0.00 1.43 -1.26 -4.36 118.68 111.78 1tk5 s LEU 125 Ca 0.56 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 1tk5 s LEU 125 Cb -0.10 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 1tk5 s LEU 125 CO 0.39 0.18 1.71 -0.70 0.23 0.00 0.00 176.35 178.16 1tk5 s GLU 126 N -0.26 4.18 0.13 1.70 -6.30 -1.26 -4.90 118.70 111.98 1tk5 s GLU 126 Ca 0.04 2.43 -0.21 0.00 -2.50 0.00 0.00 54.97 54.73 1tk5 s GLU 126 Cb -0.07 -3.57 -0.02 0.00 0.00 0.00 0.00 34.13 30.47 1tk5 s GLU 126 CO -0.00 -0.77 1.68 0.00 0.02 0.00 0.00 175.26 176.20 1tk5 h ALA 127 N 8.33 0.04 -0.48 6.30 0.00 -1.98 0.26 119.26 131.72 1tk5 h ALA 127 Ca -0.44 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1tk5 h ALA 127 Cb 1.21 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1tk5 h ALA 127 CO 0.94 -0.54 0.15 -1.49 0.00 0.00 0.00 179.25 178.31 1tk5 h TRP 128 N -0.09 0.77 -0.48 0.00 -0.00 -1.95 -1.49 115.95 112.71 1tk5 h TRP 128 Ca 0.10 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.89 58.87 1tk5 h TRP 128 Cb 0.24 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.16 1tk5 h TRP 128 CO -0.25 0.68 0.11 0.78 -0.00 0.00 0.00 178.44 179.76 1tk5 h GLY 129 N 0.64 0.78 0.94 1.49 0.00 -1.92 -1.82 103.07 103.19 1tk5 h GLY 129 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1tk5 h GLY 129 CO -0.00 0.41 0.01 -1.82 0.00 0.00 0.00 176.54 175.14 1tk5 h TYR 130 N 0.70 0.02 -0.48 5.60 3.20 -0.50 -1.76 116.97 123.76 1tk5 h TYR 130 Ca 0.16 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1tk5 h TYR 130 Cb 0.28 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1tk5 h TYR 130 CO 0.01 0.07 0.25 0.00 -1.64 0.00 0.00 178.16 176.86 1tk5 h ARG 131 N -0.04 0.48 -0.82 1.82 2.47 -0.82 -1.61 114.38 115.86 1tk5 h ARG 131 Ca 0.01 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1tk5 h ARG 131 Cb 0.06 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 1tk5 h ARG 131 CO -0.00 0.32 0.54 -0.07 0.56 0.00 0.00 179.97 181.32 1tk5 h LEU 132 N 0.50 0.93 -1.31 3.04 3.38 -1.23 -1.55 115.31 119.06 1tk5 h LEU 132 Ca 0.21 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1tk5 h LEU 132 Cb 0.10 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1tk5 h LEU 132 CO -0.13 0.67 -0.09 1.23 0.09 0.00 0.00 178.44 180.21 1tk5 h GLY 133 N 1.10 0.00 -0.56 0.83 0.00 -0.84 -3.05 103.07 100.55 1tk5 h GLY 133 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1tk5 h GLY 133 CO -0.07 0.00 -0.55 1.18 0.00 0.00 0.00 176.54 177.10 1tk5 n GLU 134 N -3.22 0.88 -0.22 4.80 -0.58 -0.65 -2.98 120.64 118.68 1tk5 n GLU 134 Ca 0.00 -0.70 0.02 0.00 -0.42 0.00 0.00 57.16 56.07 1tk5 n GLU 134 Cb 0.35 -1.49 0.13 0.00 -0.57 0.00 0.00 31.44 29.87 1tk5 n GLU 134 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1tk5 h MET 135 N 1.71 0.29 -0.62 3.49 2.86 -1.19 -1.35 114.93 120.12 1tk5 h MET 135 Ca 0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1tk5 h MET 135 Cb 0.66 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1tk5 h MET 135 CO 0.00 0.19 0.41 0.87 1.06 0.00 0.00 176.91 179.44 1tk5 h LYS 136 N 0.29 0.81 -0.38 1.72 1.57 -1.81 -0.09 116.57 118.68 1tk5 h LYS 136 Ca 0.35 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1tk5 h LYS 136 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1tk5 h LYS 136 CO -0.42 0.54 -0.08 0.78 -0.57 0.00 0.00 179.45 179.70 1tk5 h GLY 137 N 0.84 0.70 0.89 3.86 0.00 -1.69 -1.28 103.07 106.39 1tk5 h GLY 137 Ca 0.23 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1tk5 h GLY 137 CO -0.05 0.45 -0.29 0.83 0.00 0.00 0.00 176.54 177.48 1tk5 h GLU 138 N 0.60 0.57 -0.61 4.80 5.08 -0.82 -2.26 114.58 121.95 1tk5 h GLU 138 Ca 0.11 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1tk5 h GLU 138 Cb 0.49 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1tk5 h GLU 138 CO 0.03 0.93 0.40 -0.92 -1.00 0.00 0.00 179.01 178.45 1tk5 h TYR 139 N 0.26 0.75 -0.22 4.33 3.20 -0.87 -0.39 116.97 124.02 1tk5 h TYR 139 Ca 0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1tk5 h TYR 139 Cb 0.86 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1tk5 h TYR 139 CO 0.08 0.47 -0.01 -0.22 -1.64 0.00 0.00 178.16 176.84 1tk5 h LYS 140 N 0.81 0.33 -0.14 1.82 3.64 -1.19 -0.06 116.57 121.78 1tk5 h LYS 140 Ca 0.23 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.32 1tk5 h LYS 140 Cb -0.07 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1tk5 h LYS 140 CO -0.06 0.36 -0.81 -0.44 -2.27 0.00 0.00 179.45 176.24 1tk5 h ASP 141 N 0.32 0.94 -0.51 4.20 3.32 -0.67 -1.28 116.42 122.74 1tk5 h ASP 141 Ca 0.07 -0.63 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 1tk5 h ASP 141 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1tk5 h ASP 141 CO 0.01 1.43 -0.00 0.44 -1.72 0.00 0.00 179.24 179.40 1tk5 h ASP 142 N 0.53 0.89 0.04 6.45 5.19 -0.77 -2.22 116.42 126.52 1tk5 h ASP 142 Ca -0.06 -0.31 -0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1tk5 h ASP 142 Cb 1.44 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1tk5 h ASP 142 CO 0.17 0.98 -0.02 0.15 -3.12 0.00 0.00 179.24 177.40 1tk5 h PHE 143 N 0.78 -0.05 -0.34 4.55 3.57 -1.00 -2.17 116.94 122.27 1tk5 h PHE 143 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1tk5 h PHE 143 Cb 0.53 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1tk5 h PHE 143 CO 0.04 0.04 0.13 0.87 -2.23 0.00 0.00 178.31 177.16 1tk5 h LYS 144 N -0.13 0.28 0.00 1.11 1.57 -1.15 -1.96 116.57 116.29 1tk5 h LYS 144 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1tk5 h LYS 144 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1tk5 h LYS 144 CO 0.01 0.18 -0.44 0.07 -0.57 0.00 0.00 179.45 178.71 1tk5 h ARG 145 N 0.29 0.00 -0.05 3.15 0.11 -1.38 -1.62 114.38 114.88 1tk5 h ARG 145 Ca 0.15 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.14 1tk5 h ARG 145 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1tk5 h ARG 145 CO -0.14 0.44 -0.40 0.52 0.10 0.00 0.00 179.97 180.49 1tk5 h MET 146 N 0.00 0.10 0.13 0.08 2.86 -0.93 -2.01 114.93 115.17 1tk5 h MET 146 Ca -0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1tk5 h MET 146 Cb 0.79 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1tk5 h MET 146 CO 0.06 0.49 -0.06 -0.07 1.06 0.00 0.00 176.91 178.38 1tk5 h LEU 147 N 0.09 -0.15 -2.27 1.22 3.38 -0.87 -3.21 115.31 113.49 1tk5 h LEU 147 Ca 0.01 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.65 1tk5 h LEU 147 Cb 0.74 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1tk5 h LEU 147 CO 0.06 0.45 0.15 -0.33 0.09 0.00 0.00 178.44 178.86 1tk5 h GLU 148 N -0.92 0.00 0.00 1.13 5.08 -1.33 0.45 114.58 118.99 1tk5 h GLU 148 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1tk5 h GLU 148 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1tk5 h GLU 148 CO 0.03 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.97 1tk5 h GLU 149 N 0.00 0.00 -0.60 2.33 5.08 -1.41 -2.64 114.58 117.33 1tk5 h GLU 149 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1tk5 h GLU 149 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tk5 h GLU 149 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1tk5 n GLN 150 N -3.02 3.13 -1.27 2.33 1.13 0.15 -4.94 117.38 114.89 1tk5 n GLN 150 Ca 0.02 -2.63 -0.09 0.00 -1.94 0.00 0.00 57.00 52.36 1tk5 n GLN 150 Cb 0.39 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 1tk5 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tk5 n GLY 151 N 1.12 1.05 3.84 1.08 0.00 -0.98 -5.00 105.19 106.30 1tk5 n GLY 151 Ca 0.22 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1tk5 n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk5 s GLU 152 N -2.58 3.64 0.38 1.61 2.02 -0.85 -4.99 118.70 117.93 1tk5 s GLU 152 Ca 0.00 -0.11 -0.24 0.00 0.02 0.00 0.00 54.97 54.64 1tk5 s GLU 152 Cb 0.00 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.89 1tk5 s GLU 152 CO 0.00 0.66 1.01 -1.21 0.02 0.00 0.00 175.26 175.75 1tk5 s GLU 153 N -0.71 4.30 0.20 1.61 2.02 -1.26 -3.57 118.70 121.29 1tk5 s GLU 153 Ca 0.14 1.43 -0.09 0.00 0.02 0.00 0.00 54.97 56.48 1tk5 s GLU 153 Cb -0.12 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.44 1tk5 s GLU 153 CO 0.03 -0.00 0.50 -0.47 0.02 0.00 0.00 175.26 175.34 1tk5 s TYR 154 N -1.68 3.45 -0.05 1.61 5.04 -1.26 -5.00 117.35 119.46 1tk5 s TYR 154 Ca 0.56 0.81 0.05 0.00 -2.44 0.00 0.00 57.07 56.04 1tk5 s TYR 154 Cb -0.20 -2.20 -0.00 0.00 0.35 0.00 0.00 41.96 39.90 1tk5 s TYR 154 CO 0.26 0.33 -0.19 0.08 -1.34 0.00 0.00 175.55 174.68 1tk5 s VAL 155 N -1.74 1.63 0.00 3.14 1.01 -1.26 -5.04 120.40 118.13 1tk5 s VAL 155 Ca 0.45 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1tk5 s VAL 155 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1tk5 s VAL 155 CO 0.22 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.25 1tk5 n ASP 156 N 3.15 0.00 -2.72 3.32 9.92 -1.26 -1.22 116.55 127.75 1tk5 n ASP 156 Ca -0.18 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.02 1tk5 n ASP 156 Cb 0.53 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.05 1tk5 n ASP 156 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tk5 n GLY 157 N 0.00 1.60 0.17 0.44 0.00 -1.26 -4.93 105.19 101.21 1tk5 n GLY 157 Ca 0.00 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 45.07 1tk5 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 h MET 158 N 2.72 0.00 0.00 1.61 -0.00 -1.59 -3.01 114.93 114.66 1tk5 h MET 158 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.56 1tk5 h MET 158 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 1tk5 h MET 158 CO 0.33 0.00 0.00 1.05 -0.00 0.00 0.00 176.91 178.29 1tk5 h GLU 159 N 0.00 0.00 -0.02 -0.10 9.09 -1.91 -2.30 114.58 119.33 1tk5 h GLU 159 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tk5 h GLU 159 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1tk5 h GLU 159 CO 0.00 0.00 -0.09 0.91 0.05 0.00 0.00 179.01 179.88 1tk5 n TRP 160 N -2.97 0.00 0.01 2.06 7.02 -1.14 -4.55 117.44 117.87 1tk5 n TRP 160 Ca -0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.36 1tk5 n TRP 160 Cb 0.07 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.02 1tk5 n TRP 160 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1tk5 h TRP 161 N 3.40 0.66 -3.73 -5.99 6.55 -1.60 -3.38 115.95 111.86 1tk5 h TRP 161 Ca 0.00 -0.23 -0.31 0.00 0.95 0.00 0.00 58.89 59.29 1tk5 h TRP 161 Cb 0.77 -0.12 -0.17 0.00 -0.86 0.00 0.00 29.16 28.77 1tk5 h TRP 161 CO 0.00 0.96 -0.73 -0.80 -1.05 0.00 0.00 178.44 176.82 1tk5 s ASN 162 N -6.92 1.43 0.34 -3.49 0.01 -1.26 -4.98 114.94 100.06 1tk5 s ASN 162 Ca -0.07 -0.83 -0.26 0.00 -0.71 0.00 0.00 52.86 50.99 1tk5 s ASN 162 Cb 0.11 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.69 1tk5 s ASN 162 CO 0.84 -0.28 1.03 0.12 -1.51 0.00 0.00 177.10 177.29 1tk5 s PHE 163 N -2.55 3.51 0.17 2.20 5.36 -1.26 -5.02 117.98 120.39 1tk5 s PHE 163 Ca 0.06 1.71 -0.13 0.00 -0.96 0.00 0.00 56.93 57.62 1tk5 s PHE 163 Cb -0.02 -3.10 0.01 0.00 -0.34 0.00 0.00 43.02 39.57 1tk5 s PHE 163 CO -0.00 -0.31 0.38 0.54 -1.46 0.00 0.00 175.22 174.36 1tk5 s ASN 164 N -1.38 -0.09 0.48 6.13 2.20 -1.26 -5.06 114.94 115.95 1tk5 s ASN 164 Ca 0.51 -0.66 0.23 0.00 -0.94 0.00 0.00 52.86 52.01 1tk5 s ASN 164 Cb -0.24 0.48 1.20 0.00 -2.00 0.00 0.00 41.25 40.70 1tk5 s ASN 164 CO 0.30 -0.94 1.98 -0.33 -2.94 0.00 0.00 177.10 175.18 1tk5 h GLU 165 N 2.42 0.00 0.00 3.55 4.39 -1.99 -2.31 114.58 120.63 1tk5 h GLU 165 Ca -0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1tk5 h GLU 165 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1tk5 h GLU 165 CO 0.45 0.19 -0.22 1.05 -1.16 0.00 0.00 179.01 179.32 1tk5 h GLU 166 N 0.00 0.00 -0.20 2.33 4.11 -1.99 -1.42 114.58 117.41 1tk5 h GLU 166 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1tk5 h GLU 166 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1tk5 h GLU 166 CO 0.02 0.22 -0.62 1.98 0.07 0.00 0.00 179.01 180.68 1tk5 h MET 167 N 0.00 0.77 -0.58 1.06 4.05 -1.84 -2.23 114.93 116.16 1tk5 h MET 167 Ca -0.00 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 1tk5 h MET 167 Cb 1.00 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 1tk5 h MET 167 CO 0.03 1.18 0.37 1.98 0.23 0.00 0.00 176.91 180.70 1tk5 h MET 168 N 0.50 0.77 -0.81 0.39 1.85 -1.21 -0.75 114.93 115.67 1tk5 h MET 168 Ca -0.02 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 58.99 1tk5 h MET 168 Cb 1.24 -0.17 -0.04 0.00 0.43 0.00 0.00 31.60 33.06 1tk5 h MET 168 CO 0.13 0.53 0.41 -0.44 -0.40 0.00 0.00 176.91 177.14 1tk5 h ASP 169 N 0.78 1.04 0.11 1.39 3.32 -1.16 -0.66 116.42 121.24 1tk5 h ASP 169 Ca 0.21 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1tk5 h ASP 169 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1tk5 h ASP 169 CO -0.04 0.86 -0.33 1.88 -1.72 0.00 0.00 179.24 179.89 1tk5 h TYR 170 N 1.15 0.37 -0.36 4.55 0.05 -0.96 -1.15 116.97 120.62 1tk5 h TYR 170 Ca 0.28 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.94 1tk5 h TYR 170 Cb 0.08 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1tk5 h TYR 170 CO 0.01 0.63 0.08 -0.97 -1.05 0.00 0.00 178.16 176.85 1tk5 h ASN 171 N 0.28 0.56 -0.11 3.88 -0.00 -0.22 0.14 115.58 120.10 1tk5 h ASN 171 Ca 0.04 -0.24 -0.00 0.00 -0.00 0.00 0.00 56.30 56.09 1tk5 h ASN 171 Cb 0.73 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.89 1tk5 h ASN 171 CO 0.06 0.65 0.05 0.58 -0.00 0.00 0.00 177.43 178.77 1tk5 h VAL 172 N 0.43 1.12 -1.00 2.57 2.07 -0.92 -2.81 116.25 117.71 1tk5 h VAL 172 Ca 0.11 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1tk5 h VAL 172 Cb 0.32 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1tk5 h VAL 172 CO 0.00 0.11 0.64 1.56 0.02 0.00 0.00 177.57 179.90 1tk5 h GLN 173 N 0.05 1.07 -0.77 1.57 1.08 -1.03 -1.47 115.11 115.61 1tk5 h GLN 173 Ca 0.04 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1tk5 h GLN 173 Cb 0.13 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 1tk5 h GLN 173 CO -0.00 0.71 0.51 -0.44 -0.95 0.00 0.00 178.83 178.65 1tk5 h ASP 174 N 1.10 0.88 -0.13 1.46 3.32 -0.72 -0.77 116.42 121.56 1tk5 h ASP 174 Ca 0.45 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.34 1tk5 h ASP 174 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1tk5 h ASP 174 CO -0.20 0.64 -0.38 0.58 -1.72 0.00 0.00 179.24 178.16 1tk5 h VAL 175 N 1.04 1.29 -0.46 -1.35 2.07 -1.18 0.56 116.25 118.21 1tk5 h VAL 175 Ca 0.28 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1tk5 h VAL 175 Cb -0.12 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1tk5 h VAL 175 CO -0.06 0.50 0.25 0.58 0.02 0.00 0.00 177.57 178.86 1tk5 h VAL 176 N 0.54 1.16 -0.15 2.57 2.07 -0.75 -0.80 116.25 120.89 1tk5 h VAL 176 Ca 0.05 -0.42 -0.18 0.00 0.82 0.00 0.00 66.70 66.97 1tk5 h VAL 176 Cb 0.90 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1tk5 h VAL 176 CO 0.08 0.17 -0.65 0.58 0.02 0.00 0.00 177.57 177.77 1tk5 h VAL 177 N 0.61 1.33 -0.56 2.57 2.07 -1.02 -2.59 116.25 118.65 1tk5 h VAL 177 Ca 0.16 -1.93 -0.07 0.00 0.82 0.00 0.00 66.70 65.68 1tk5 h VAL 177 Cb 0.05 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1tk5 h VAL 177 CO -0.03 0.60 0.08 0.74 0.02 0.00 0.00 177.57 178.98 1tk5 h THR 178 N 0.42 1.24 -0.63 2.57 2.02 -0.68 0.82 112.91 118.68 1tk5 h THR 178 Ca -0.01 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 1tk5 h THR 178 Cb 1.22 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1tk5 h THR 178 CO 0.12 0.35 0.06 0.50 0.37 0.00 0.00 175.52 176.92 1tk5 h LYS 179 N 0.86 1.07 -0.54 6.66 3.64 -1.11 0.40 116.57 127.56 1tk5 h LYS 179 Ca 0.18 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1tk5 h LYS 179 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1tk5 h LYS 179 CO 0.01 1.01 0.11 0.00 -2.27 0.00 0.00 179.45 178.31 1tk5 h ALA 180 N 1.01 0.71 0.02 5.00 0.00 -1.00 -2.11 119.26 122.89 1tk5 h ALA 180 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tk5 h ALA 180 Cb 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1tk5 h ALA 180 CO 0.02 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 180.94 1tk5 h LEU 181 N 0.77 -0.02 -0.37 0.00 6.46 -0.62 -2.08 115.31 119.45 1tk5 h LEU 181 Ca 0.17 -0.14 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 1tk5 h LEU 181 Cb 0.37 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 1tk5 h LEU 181 CO 0.01 0.13 -0.38 0.25 -0.62 0.00 0.00 178.44 177.82 1tk5 h LEU 182 N -0.17 -1.26 -1.74 2.25 5.85 -0.76 0.10 115.31 119.59 1tk5 h LEU 182 Ca -0.00 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1tk5 h LEU 182 Cb 0.16 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1tk5 h LEU 182 CO 0.00 -0.35 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.27 1tk5 h GLU 183 N -0.31 0.00 -0.28 1.25 5.08 -1.33 0.14 114.58 119.13 1tk5 h GLU 183 Ca 0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1tk5 h GLU 183 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1tk5 h GLU 183 CO -0.54 0.14 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.21 1tk5 h LYS 184 N 0.00 0.62 -0.37 2.33 3.64 -0.38 -2.49 116.57 119.91 1tk5 h LYS 184 Ca -0.00 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.03 1tk5 h LYS 184 Cb 0.26 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1tk5 h LYS 184 CO 0.02 0.88 -0.01 -0.07 -2.27 0.00 0.00 179.45 178.00 1tk5 h LEU 185 N 0.35 0.65 -1.08 5.20 3.38 0.00 -2.75 115.31 121.07 1tk5 h LEU 185 Ca 0.06 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1tk5 h LEU 185 Cb 0.72 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1tk5 h LEU 185 CO 0.05 0.81 0.00 0.18 0.09 0.00 0.00 178.44 179.57 1tk5 n LEU 186 N -4.47 0.65 -0.08 1.67 4.77 0.40 -2.05 117.00 117.89 1tk5 n LEU 186 Ca -0.01 0.72 0.15 0.00 -0.03 0.00 0.00 56.01 56.83 1tk5 n LEU 186 Cb 0.29 -0.70 0.68 0.00 -2.33 0.00 0.00 43.42 41.36 1tk5 n LEU 186 CO 0.40 -0.76 0.94 -1.54 -1.33 0.00 0.00 177.39 175.10 1tk5 n SER 187 N -2.28 0.33 -4.55 -1.43 3.41 -0.94 -4.67 113.62 103.49 1tk5 n SER 187 Ca 0.00 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 1tk5 n SER 187 Cb 0.14 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1tk5 n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tk5 s ASP 188 N -2.43 6.28 0.22 4.04 -1.08 -0.87 -4.88 116.67 117.96 1tk5 s ASP 188 Ca 0.31 -0.27 0.19 0.00 -0.52 0.00 0.00 52.55 52.26 1tk5 s ASP 188 Cb 0.20 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 40.02 1tk5 s ASP 188 CO 0.45 -1.62 1.58 2.29 0.52 0.00 0.00 175.17 178.39 1tk5 n LYS 189 N 8.73 0.13 0.11 4.34 -0.00 -1.26 -1.34 118.16 128.87 1tk5 n LYS 189 Ca 0.04 0.49 -0.02 0.00 -0.00 0.00 0.00 58.31 58.83 1tk5 n LYS 189 Cb 0.49 -1.82 0.21 0.00 -0.00 0.00 0.00 35.03 33.91 1tk5 n LYS 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1tk5 h HIS 190 N 0.00 0.21 0.00 5.58 2.76 -1.97 -3.28 115.15 118.45 1tk5 h HIS 190 Ca 0.00 -0.07 -0.25 0.00 -2.20 0.00 0.00 60.37 57.86 1tk5 h HIS 190 Cb 0.17 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 1tk5 h HIS 190 CO 0.00 0.63 -2.17 0.66 -1.30 0.00 0.00 177.93 175.75 1tk5 n TYR 191 N -3.97 0.00 -3.80 5.26 4.02 -0.86 -4.77 117.16 113.04 1tk5 n TYR 191 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.58 1tk5 n TYR 191 Cb 0.52 -0.79 -0.16 0.00 -0.02 0.00 0.00 39.34 38.90 1tk5 n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1tk5 s PHE 192 N -2.70 1.71 0.01 -0.72 0.08 -0.45 -1.52 117.98 114.39 1tk5 s PHE 192 Ca -0.09 -1.47 -0.37 0.00 0.12 0.00 0.00 56.93 55.13 1tk5 s PHE 192 Cb 0.07 -1.47 -0.16 0.00 -0.57 0.00 0.00 43.02 40.90 1tk5 s PHE 192 CO 0.78 -0.76 1.51 -2.30 -0.10 0.00 0.00 175.22 174.35 1tk5 n PRO 193 N 4.86 1.42 0.10 0.24 -0.02 -1.26 -4.01 135.00 136.33 1tk5 n PRO 193 Ca -0.07 0.51 0.17 0.00 -2.02 0.00 0.00 63.50 62.09 1tk5 n PRO 193 Cb 0.44 -2.20 0.71 0.00 -0.02 0.00 0.00 33.50 32.43 1tk5 n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1tk5 h PRO 194 N 5.74 0.00 0.00 0.52 0.11 -1.94 -2.12 132.00 134.30 1tk5 h PRO 194 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1tk5 h PRO 194 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1tk5 h PRO 194 CO 0.85 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 1tk5 n GLU 195 N -4.26 0.13 -5.01 1.05 4.71 -1.26 -4.64 120.64 111.37 1tk5 n GLU 195 Ca 0.05 0.53 -0.32 0.00 -0.01 0.00 0.00 57.16 57.41 1tk5 n GLU 195 Cb 0.44 -1.85 -0.15 0.00 -1.01 0.00 0.00 31.44 28.87 1tk5 n GLU 195 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1tk5 s ILE 196 N -3.38 2.67 -0.63 -3.67 1.01 -0.80 -5.06 121.20 111.34 1tk5 s ILE 196 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1tk5 s ILE 196 Cb 0.07 -2.04 0.10 0.00 0.01 0.00 0.00 42.46 40.59 1tk5 s ILE 196 CO 0.23 0.56 0.80 -0.62 0.00 0.00 0.00 174.94 175.92 1tk5 s ASP 197 N -0.21 6.21 0.00 3.58 -1.08 -1.26 -4.88 116.67 119.02 1tk5 s ASP 197 Ca -0.01 -1.35 0.15 0.00 -0.52 0.00 0.00 52.55 50.83 1tk5 s ASP 197 Cb -0.13 -2.34 0.82 0.00 -1.46 0.00 0.00 42.92 39.81 1tk5 s ASP 197 CO 0.03 -1.20 1.40 0.49 0.52 0.00 0.00 175.17 176.40 1tk5 n PHE 198 N 6.71 0.00 1.16 -5.34 3.01 -1.26 -1.63 117.46 120.12 1tk5 n PHE 198 Ca -0.06 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.52 1tk5 n PHE 198 Cb 0.44 -0.19 0.31 0.00 -0.01 0.00 0.00 39.48 40.03 1tk5 n PHE 198 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1tk5 n THR 199 N -1.19 0.07 -2.42 4.37 -2.24 -1.26 -4.21 114.28 107.41 1tk5 n THR 199 Ca 0.09 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1tk5 n THR 199 Cb 0.10 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 1tk5 n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1tk5 n ASP 200 N 0.77 3.20 -4.13 3.42 2.03 -0.64 -4.31 116.55 116.89 1tk5 n ASP 200 Ca 0.17 -2.89 -0.11 0.00 0.52 0.00 0.00 54.79 52.48 1tk5 n ASP 200 Cb 0.47 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 40.36 1tk5 n ASP 200 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tk5 s VAL 201 N -4.13 0.57 0.95 5.18 -7.23 -1.25 -4.98 120.40 109.51 1tk5 s VAL 201 Ca 0.39 -1.68 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1tk5 s VAL 201 Cb 0.37 -1.36 0.16 0.00 0.56 0.00 0.00 36.38 36.10 1tk5 s VAL 201 CO -0.00 -0.76 1.12 -0.83 -0.31 0.00 0.00 175.10 174.31 1tk5 s GLY 202 N -2.63 1.57 0.21 2.32 0.00 -1.26 -4.75 107.32 102.78 1tk5 s GLY 202 Ca 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1tk5 s GLY 202 CO -0.04 0.10 1.81 0.10 0.00 0.00 0.00 173.10 175.07 1tk5 h TYR 203 N -1.66 1.17 -0.93 1.90 -0.00 -1.59 -2.36 116.97 113.50 1tk5 h TYR 203 Ca -0.52 -0.06 0.01 0.00 0.00 0.00 0.00 58.73 58.16 1tk5 h TYR 203 Cb 1.33 -0.36 -0.05 0.00 0.00 0.00 0.00 36.73 37.66 1tk5 h TYR 203 CO 0.29 0.85 0.62 1.15 -0.00 0.00 0.00 178.16 181.06 1tk5 h THR 204 N 1.15 1.24 -0.34 -0.90 2.02 -1.90 -2.44 112.91 111.74 1tk5 h THR 204 Ca 0.28 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1tk5 h THR 204 Cb 0.12 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1tk5 h THR 204 CO -0.04 0.23 -0.08 0.74 0.37 0.00 0.00 175.52 176.75 1tk5 h THR 205 N 1.26 1.28 -0.39 3.16 2.02 -1.89 -2.37 112.91 115.99 1tk5 h THR 205 Ca 0.34 -1.13 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1tk5 h THR 205 Cb -0.15 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1tk5 h THR 205 CO -0.07 0.37 -0.01 0.15 0.37 0.00 0.00 175.52 176.32 1tk5 h PHE 206 N 0.45 -0.05 -0.23 3.16 3.04 -1.05 0.11 116.94 122.37 1tk5 h PHE 206 Ca 0.09 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.90 1tk5 h PHE 206 Cb 0.57 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1tk5 h PHE 206 CO 0.05 -0.09 -0.53 -1.49 -2.02 0.00 0.00 178.31 174.23 1tk5 h TRP 207 N 0.09 0.97 0.00 0.41 -0.00 -1.46 -2.87 115.95 113.10 1tk5 h TRP 207 Ca 0.19 -0.37 -0.12 0.00 -0.00 0.00 0.00 58.89 58.59 1tk5 h TRP 207 Cb 0.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.24 1tk5 h TRP 207 CO -0.28 1.17 -0.59 0.66 -0.00 0.00 0.00 178.44 179.41 1tk5 h SER 208 N 0.50 0.00 0.67 -3.49 4.64 -1.19 -3.29 113.55 111.38 1tk5 h SER 208 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tk5 h SER 208 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1tk5 h SER 208 CO 0.12 0.59 -0.99 -0.62 -0.87 0.00 0.00 176.83 175.05 1tk5 n GLU 209 N -3.52 0.41 -2.83 4.77 -0.58 0.35 -4.92 120.64 114.31 1tk5 n GLU 209 Ca -0.00 0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.53 1tk5 n GLU 209 Cb 0.66 -1.68 0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1tk5 n GLU 209 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1tk5 s SER 210 N -4.45 6.03 0.47 1.62 1.04 -1.08 -4.57 113.70 112.75 1tk5 s SER 210 Ca 0.02 0.63 -0.23 0.00 0.48 0.00 0.00 55.95 56.85 1tk5 s SER 210 Cb 0.13 -1.92 -0.09 0.00 0.10 0.00 0.00 66.02 64.24 1tk5 s SER 210 CO 0.79 -0.64 1.08 -0.11 0.98 0.00 0.00 173.24 175.33 1tk5 n LEU 211 N -2.18 3.31 -0.34 2.42 7.94 -0.58 -4.85 117.00 122.72 1tk5 n LEU 211 Ca 0.00 1.00 0.17 0.00 -1.11 0.00 0.00 56.01 56.07 1tk5 n LEU 211 Cb 0.56 -1.41 0.37 0.00 0.53 0.00 0.00 43.42 43.48 1tk5 n LEU 211 CO 0.51 -1.33 1.15 -0.08 -1.11 0.00 0.00 177.39 176.54 1tk5 h GLU 212 N 1.44 0.56 -0.56 1.96 4.81 -1.89 -1.74 114.58 119.16 1tk5 h GLU 212 Ca -0.46 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1tk5 h GLU 212 Cb 1.33 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1tk5 h GLU 212 CO 0.56 0.37 0.39 0.00 -0.73 0.00 0.00 179.01 179.61 1tk5 h ALA 213 N 1.72 2.35 -0.58 2.92 0.00 -1.86 -1.56 119.26 122.25 1tk5 h ALA 213 Ca 0.63 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1tk5 h ALA 213 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1tk5 h ALA 213 CO -0.47 -0.50 0.17 0.28 0.00 0.00 0.00 179.25 178.73 1tk5 h VAL 214 N 0.13 1.24 -0.25 0.00 2.07 -1.65 -0.79 116.25 117.00 1tk5 h VAL 214 Ca 0.27 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 1tk5 h VAL 214 Cb 0.88 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1tk5 h VAL 214 CO -0.03 0.31 -0.30 -0.78 0.02 0.00 0.00 177.57 176.79 1tk5 h ASP 215 N 0.82 0.69 -0.75 0.57 3.58 -1.43 -2.84 116.42 117.06 1tk5 h ASP 215 Ca 0.19 -0.49 -0.05 0.00 0.42 0.00 0.00 57.03 57.10 1tk5 h ASP 215 Cb 0.30 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1tk5 h ASP 215 CO -0.00 1.04 0.28 0.40 -2.88 0.00 0.00 179.24 178.08 1tk5 h ILE 216 N 0.35 1.26 -0.29 2.25 2.04 -1.29 -1.62 117.51 120.21 1tk5 h ILE 216 Ca 0.03 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1tk5 h ILE 216 Cb 0.87 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1tk5 h ILE 216 CO 0.07 0.33 -0.24 -0.33 0.00 0.00 0.00 178.15 177.98 1tk5 h GLU 217 N 1.08 0.56 -0.10 2.37 4.39 -1.16 -0.68 114.58 121.04 1tk5 h GLU 217 Ca 0.25 -0.21 -0.20 0.00 0.34 0.00 0.00 59.36 59.54 1tk5 h GLU 217 Cb 0.24 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1tk5 h GLU 217 CO -0.02 0.76 -0.75 0.45 -1.16 0.00 0.00 179.01 178.29 1tk5 h HIS 218 N 0.49 0.70 -0.58 4.33 3.86 -1.30 -1.81 115.15 120.84 1tk5 h HIS 218 Ca 0.07 -0.31 -0.10 0.00 -1.16 0.00 0.00 60.37 58.87 1tk5 h HIS 218 Cb 0.69 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1tk5 h HIS 218 CO 0.03 1.09 -0.04 0.00 0.86 0.00 0.00 177.93 179.87 1tk5 h ARG 219 N 0.35 1.04 -0.43 2.45 3.08 -1.15 -1.63 114.38 118.08 1tk5 h ARG 219 Ca -0.04 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.62 1tk5 h ARG 219 Cb 1.35 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1tk5 h ARG 219 CO 0.14 1.04 0.08 0.00 -1.07 0.00 0.00 179.97 180.16 1tk5 h ALA 220 N 1.00 0.57 -0.31 0.04 0.00 -1.05 -1.99 119.26 117.53 1tk5 h ALA 220 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1tk5 h ALA 220 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1tk5 h ALA 220 CO 0.04 0.28 -0.20 0.00 0.00 0.00 0.00 179.25 179.36 1tk5 h ALA 221 N 0.95 1.08 -0.08 0.00 0.00 -1.21 0.27 119.26 120.26 1tk5 h ALA 221 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1tk5 h ALA 221 Cb 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tk5 h ALA 221 CO 0.01 0.56 -0.00 2.35 0.00 0.00 0.00 179.25 182.16 1tk5 h TRP 222 N 0.51 0.17 -0.31 0.00 2.91 -1.17 -1.47 115.95 116.59 1tk5 h TRP 222 Ca 0.08 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 1tk5 h TRP 222 Cb 0.63 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 1tk5 h TRP 222 CO 0.02 0.43 0.10 1.25 -1.03 0.00 0.00 178.44 179.21 1tk5 h LEU 223 N -0.14 0.45 -1.38 0.65 5.85 -1.23 -2.67 115.31 116.83 1tk5 h LEU 223 Ca 0.02 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1tk5 h LEU 223 Cb 0.36 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1tk5 h LEU 223 CO 0.01 0.53 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.28 1tk5 h LEU 224 N 0.34 0.00 -0.54 2.25 3.38 -0.94 -0.65 115.31 119.14 1tk5 h LEU 224 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1tk5 h LEU 224 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1tk5 h LEU 224 CO -0.00 0.29 -0.07 0.00 0.09 0.00 0.00 178.44 178.74 1tk5 h ALA 225 N 1.71 0.73 -0.71 1.53 0.00 -1.11 -0.69 119.26 120.73 1tk5 h ALA 225 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1tk5 h ALA 225 Cb 0.61 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1tk5 h ALA 225 CO 0.04 0.62 0.41 -0.22 0.00 0.00 0.00 179.25 180.09 1tk5 h LYS 226 N 0.87 0.97 -0.78 0.00 1.63 -0.98 -1.64 116.57 116.65 1tk5 h LYS 226 Ca 0.14 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1tk5 h LYS 226 Cb 0.63 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 1tk5 h LYS 226 CO 0.04 0.71 0.45 0.37 -3.45 0.00 0.00 179.45 177.57 1tk5 h GLN 227 N 0.97 1.08 -0.51 1.90 4.15 -0.65 0.38 115.11 122.43 1tk5 h GLN 227 Ca 0.25 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1tk5 h GLN 227 Cb 0.00 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1tk5 h GLN 227 CO -0.04 0.78 0.28 0.93 -1.93 0.00 0.00 178.83 178.85 1tk5 h GLU 228 N 1.08 0.71 -0.95 1.69 5.08 -0.72 -1.14 114.58 120.33 1tk5 h GLU 228 Ca 0.28 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1tk5 h GLU 228 Cb 0.00 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1tk5 h GLU 228 CO -0.05 0.56 0.63 0.00 -1.00 0.00 0.00 179.01 179.14 1tk5 h ARG 229 N 0.68 1.25 0.21 2.33 3.08 -0.77 -2.70 114.38 118.47 1tk5 h ARG 229 Ca 0.18 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1tk5 h ARG 229 Cb 0.05 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1tk5 h ARG 229 CO -0.03 0.83 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.69 1tk5 h ASN 230 N 1.29 -0.24 -4.08 7.04 2.35 -0.45 -3.50 115.58 118.00 1tk5 h ASN 230 Ca 0.35 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1tk5 h ASN 230 Cb -0.15 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1tk5 h ASN 230 CO -0.07 -0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.20 1tk5 n GLY 231 N -1.03 -1.77 3.32 2.83 0.00 -0.48 -4.87 105.19 103.19 1tk5 n GLY 231 Ca -0.09 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 1tk5 n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tk5 s PHE 232 N -2.14 3.16 0.17 1.61 2.19 0.01 -4.66 117.98 118.32 1tk5 s PHE 232 Ca 0.00 -1.10 -0.34 0.00 0.33 0.00 0.00 56.93 55.82 1tk5 s PHE 232 Cb 0.00 -2.24 -0.15 0.00 -1.31 0.00 0.00 43.02 39.32 1tk5 s PHE 232 CO 0.00 -0.61 1.44 -2.30 1.83 0.00 0.00 175.22 175.57 1tk5 n PRO 233 N 4.84 1.80 -4.69 10.12 -0.02 -1.26 -1.54 135.00 144.25 1tk5 n PRO 233 Ca -0.14 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 1tk5 n PRO 233 Cb 0.47 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.47 1tk5 n PRO 233 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1tk5 s PHE 234 N 0.44 1.40 -1.16 6.00 5.36 -0.50 -1.73 117.98 127.78 1tk5 s PHE 234 Ca 0.76 -0.33 -0.15 0.00 -0.96 0.00 0.00 56.93 56.26 1tk5 s PHE 234 Cb -0.75 -0.93 0.16 0.00 -0.34 0.00 0.00 43.02 41.17 1tk5 s PHE 234 CO 0.44 -0.08 1.38 0.34 -1.46 0.00 0.00 175.22 175.84 1tk5 s ASP 235 N -0.13 7.00 0.21 6.13 -1.08 0.11 -4.76 116.67 124.14 1tk5 s ASP 235 Ca 0.01 -2.84 -0.10 0.00 -0.52 0.00 0.00 52.55 49.10 1tk5 s ASP 235 Cb -0.08 -2.40 0.27 0.00 -1.46 0.00 0.00 42.92 39.25 1tk5 s ASP 235 CO 0.00 -0.80 1.71 0.74 0.52 0.00 0.00 175.17 177.35 1tk5 h THR 236 N 4.85 0.66 -0.37 1.71 2.02 -1.92 -2.32 112.91 117.55 1tk5 h THR 236 Ca 0.29 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.41 1tk5 h THR 236 Cb 0.90 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1tk5 h THR 236 CO 1.22 0.05 0.16 0.50 0.37 0.00 0.00 175.52 177.82 1tk5 h LYS 237 N 0.26 0.33 -0.58 6.66 3.11 -2.00 -1.04 116.57 123.31 1tk5 h LYS 237 Ca 0.30 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 58.13 1tk5 h LYS 237 Cb 0.44 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 1tk5 h LYS 237 CO -0.39 0.22 0.39 0.00 -2.81 0.00 0.00 179.45 176.86 1tk5 h ALA 238 N 1.21 1.61 0.00 5.00 0.00 -1.85 -1.64 119.26 123.59 1tk5 h ALA 238 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1tk5 h ALA 238 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1tk5 h ALA 238 CO -0.13 0.35 -0.87 0.82 0.00 0.00 0.00 179.25 179.42 1tk5 h ILE 239 N 0.76 1.59 -0.46 0.00 1.08 -0.99 -1.60 117.51 117.89 1tk5 h ILE 239 Ca 0.22 -3.01 -0.10 0.00 -0.39 0.00 0.00 64.86 61.58 1tk5 h ILE 239 Cb -0.05 2.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.32 1tk5 h ILE 239 CO -0.05 0.85 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.83 1tk5 h GLU 240 N 0.00 0.82 -0.13 2.37 5.08 -0.69 0.63 114.58 122.66 1tk5 h GLU 240 Ca -0.01 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1tk5 h GLU 240 Cb 1.57 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1tk5 h GLU 240 CO 0.11 0.89 -0.51 0.93 -1.00 0.00 0.00 179.01 179.43 1tk5 h GLU 241 N 0.74 0.37 -0.29 2.33 5.08 -1.22 -2.01 114.58 119.58 1tk5 h GLU 241 Ca 0.12 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 1tk5 h GLU 241 Cb 0.60 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1tk5 h GLU 241 CO 0.04 0.79 -0.41 1.25 -1.00 0.00 0.00 179.01 179.68 1tk5 h LEU 242 N 0.29 0.75 -0.72 1.33 5.85 -0.88 -2.37 115.31 119.56 1tk5 h LEU 242 Ca 0.01 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1tk5 h LEU 242 Cb 1.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1tk5 h LEU 242 CO 0.09 1.07 0.36 0.22 -0.34 0.00 0.00 178.44 179.83 1tk5 h TYR 243 N 0.57 1.03 -0.30 1.25 3.20 -0.58 0.98 116.97 123.12 1tk5 h TYR 243 Ca 0.04 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1tk5 h TYR 243 Cb 0.95 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1tk5 h TYR 243 CO 0.05 0.75 0.15 0.28 -1.64 0.00 0.00 178.16 177.75 1tk5 h VAL 244 N 1.01 1.15 -0.48 1.81 2.07 -1.25 0.94 116.25 121.49 1tk5 h VAL 244 Ca 0.25 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1tk5 h VAL 244 Cb 0.10 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1tk5 h VAL 244 CO -0.03 0.15 0.32 -0.08 0.02 0.00 0.00 177.57 177.94 1tk5 h GLU 245 N 0.35 0.64 -0.39 1.57 4.81 -1.02 -1.40 114.58 119.13 1tk5 h GLU 245 Ca 0.10 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1tk5 h GLU 245 Cb 0.11 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1tk5 h GLU 245 CO -0.01 0.43 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.28 1tk5 h LEU 246 N 0.65 0.95 -0.95 1.64 3.38 -0.61 -2.51 115.31 117.86 1tk5 h LEU 246 Ca 0.18 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1tk5 h LEU 246 Cb -0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1tk5 h LEU 246 CO -0.04 1.20 0.28 0.00 0.09 0.00 0.00 178.44 179.97 1tk5 h ALA 247 N 0.85 1.16 -0.51 1.53 0.00 -0.63 0.09 119.26 121.76 1tk5 h ALA 247 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1tk5 h ALA 247 Cb 0.93 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1tk5 h ALA 247 CO 0.09 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.82 1tk5 h ALA 248 N 1.28 0.70 -0.23 0.00 0.00 -1.16 -1.62 119.26 118.23 1tk5 h ALA 248 Ca 0.24 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1tk5 h ALA 248 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1tk5 h ALA 248 CO -0.02 0.61 -0.47 -0.09 0.00 0.00 0.00 179.25 179.28 1tk5 h ARG 249 N 0.83 0.59 -0.12 0.00 9.65 -1.12 -2.44 114.38 121.78 1tk5 h ARG 249 Ca 0.13 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 1tk5 h ARG 249 Cb 0.68 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1tk5 h ARG 249 CO 0.05 0.93 0.08 -0.09 2.80 0.00 0.00 179.97 183.74 1tk5 h ARG 250 N 0.47 0.16 -0.79 0.20 2.43 -0.77 -0.95 114.38 115.13 1tk5 h ARG 250 Ca 0.03 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1tk5 h ARG 250 Cb 1.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.47 1tk5 h ARG 250 CO 0.09 0.11 0.51 0.77 -1.51 0.00 0.00 179.97 179.94 1tk5 h SER 251 N 0.16 0.86 -0.43 -3.80 0.02 -1.23 -0.21 113.55 108.92 1tk5 h SER 251 Ca 0.04 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 1tk5 h SER 251 Cb -0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1tk5 h SER 251 CO -0.01 0.61 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.13 1tk5 h GLU 252 N 1.02 0.88 -0.43 3.45 4.57 -1.18 0.46 114.58 123.35 1tk5 h GLU 252 Ca 0.30 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1tk5 h GLU 252 Cb -0.05 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1tk5 h GLU 252 CO -0.09 0.93 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.39 1tk5 h LEU 253 N 0.80 0.86 -0.42 1.64 3.38 -0.70 -1.76 115.31 119.11 1tk5 h LEU 253 Ca 0.14 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1tk5 h LEU 253 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1tk5 h LEU 253 CO 0.04 1.04 0.06 0.25 0.09 0.00 0.00 178.44 179.92 1tk5 h LEU 254 N 0.74 0.68 -0.04 1.67 5.85 -0.69 0.75 115.31 124.27 1tk5 h LEU 254 Ca 0.10 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1tk5 h LEU 254 Cb 0.73 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1tk5 h LEU 254 CO 0.06 0.77 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.69 1tk5 h ARG 255 N 0.56 -0.22 0.13 1.25 2.43 -0.70 0.18 114.38 118.01 1tk5 h ARG 255 Ca 0.13 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1tk5 h ARG 255 Cb 0.39 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1tk5 h ARG 255 CO 0.01 -0.15 -0.06 0.87 -1.51 0.00 0.00 179.97 179.13 1tk5 h LYS 256 N -0.23 -0.16 -0.81 0.20 1.57 -1.16 -2.42 116.57 113.57 1tk5 h LYS 256 Ca 0.06 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1tk5 h LYS 256 Cb 0.31 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1tk5 h LYS 256 CO -0.18 -0.07 0.40 -0.07 -0.57 0.00 0.00 179.45 178.96 1tk5 h LEU 257 N -0.22 1.04 -0.46 2.94 3.38 -0.64 -0.90 115.31 120.46 1tk5 h LEU 257 Ca -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1tk5 h LEU 257 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1tk5 h LEU 257 CO 0.03 0.87 0.00 0.35 0.09 0.00 0.00 178.44 179.78 1tk5 n THR 258 N -4.32 0.75 0.08 0.22 -2.24 0.62 -0.07 114.28 109.32 1tk5 n THR 258 Ca 0.08 0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 1tk5 n THR 258 Cb 0.13 -0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 67.23 1tk5 n THR 258 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1tk5 h GLU 259 N 0.00 0.40 -0.11 -0.78 4.81 -0.79 -3.37 114.58 114.75 1tk5 h GLU 259 Ca 0.00 -0.69 -0.22 0.00 -0.13 0.00 0.00 59.36 58.32 1tk5 h GLU 259 Cb 0.46 0.26 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1tk5 h GLU 259 CO 0.00 1.33 -0.81 1.15 -0.73 0.00 0.00 179.01 179.95 1tk5 h THR 260 N 0.03 1.29 -3.59 0.32 2.02 -0.80 -3.41 112.91 108.78 1tk5 h THR 260 Ca -0.31 -2.02 -0.69 0.00 0.77 0.00 0.00 66.41 64.16 1tk5 h THR 260 Cb 2.05 2.11 -0.35 0.00 -1.74 0.00 0.00 68.15 70.22 1tk5 h THR 260 CO 0.18 0.63 -0.61 -0.36 0.37 0.00 0.00 175.52 175.73 1tk5 s PHE 261 N -3.63 3.52 0.82 3.16 0.08 0.89 -5.03 117.98 117.79 1tk5 s PHE 261 Ca -0.11 -2.33 -0.11 0.00 0.12 0.00 0.00 56.93 54.51 1tk5 s PHE 261 Cb 0.08 -2.87 0.08 0.00 -0.57 0.00 0.00 43.02 39.74 1tk5 s PHE 261 CO 0.90 -0.92 1.09 0.20 -0.10 0.00 0.00 175.22 176.39 1tk5 s GLY 262 N 1.55 1.63 0.88 4.36 0.00 -1.26 -4.43 107.32 110.05 1tk5 s GLY 262 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 1tk5 s GLY 262 CO -0.04 0.36 1.10 -1.35 0.00 0.00 0.00 173.10 173.17 1tk5 s SER 263 N -3.66 3.64 0.32 1.64 1.04 -1.26 -4.63 113.70 110.79 1tk5 s SER 263 Ca 0.61 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 1tk5 s SER 263 Cb -0.16 -2.05 0.01 0.00 0.10 0.00 0.00 66.02 63.92 1tk5 s SER 263 CO 0.55 -2.52 0.56 -1.66 0.98 0.00 0.00 173.24 171.16 1tk5 s TRP 264 N -3.02 0.54 0.00 5.02 -2.14 -0.44 -4.98 118.94 113.91 1tk5 s TRP 264 Ca 0.63 -0.93 0.01 0.00 2.66 0.00 0.00 56.10 58.47 1tk5 s TRP 264 Cb -0.17 0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 30.43 1tk5 s TRP 264 CO 0.56 -1.19 0.03 0.71 -2.66 0.00 0.00 176.95 174.40 1tk5 s TYR 265 N -3.28 3.15 0.00 1.66 1.51 -1.26 -0.14 117.35 118.99 1tk5 s TYR 265 Ca 0.23 0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1tk5 s TYR 265 Cb -0.02 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1tk5 s TYR 265 CO 0.14 0.50 -0.08 -0.65 -1.11 0.00 0.00 175.55 174.34 1tk5 s GLN 266 N -1.65 0.59 0.40 -0.62 -0.21 -0.43 -4.95 119.66 112.79 1tk5 s GLN 266 Ca 0.21 -0.35 -0.27 0.00 0.02 0.00 0.00 55.36 54.97 1tk5 s GLN 266 Cb -0.12 -0.55 -0.10 0.00 1.00 0.00 0.00 33.01 33.25 1tk5 s GLN 266 CO 0.12 0.15 1.40 -1.25 -2.12 0.00 0.00 175.29 173.58 1tk5 s PRO 267 N -0.42 3.99 -0.29 2.91 0.04 -1.26 -0.35 135.00 139.63 1tk5 s PRO 267 Ca 0.01 2.38 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 1tk5 s PRO 267 Cb -0.04 -2.84 0.13 0.00 0.04 0.00 0.00 34.50 31.78 1tk5 s PRO 267 CO -0.00 -0.55 0.87 0.21 0.04 0.00 0.00 177.00 177.57 1tk5 s LYS 268 N -2.19 0.48 0.00 4.56 2.47 0.28 -4.77 119.74 120.58 1tk5 s LYS 268 Ca 0.55 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 55.85 1tk5 s LYS 268 Cb -0.43 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.13 1tk5 s LYS 268 CO 0.56 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.37 1tk5 n GLY 269 N 4.13 0.42 3.71 5.54 0.00 -1.26 -3.93 105.19 113.79 1tk5 n GLY 269 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1tk5 n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tk5 s GLY 270 N -1.22 1.66 -0.00 -0.02 0.00 -1.26 -4.89 107.32 101.59 1tk5 s GLY 270 Ca 0.00 1.24 0.06 0.00 0.00 0.00 0.00 44.72 46.02 1tk5 s GLY 270 CO 0.00 2.64 0.23 -1.30 0.00 0.00 0.00 173.10 174.67 1tk5 n THR 271 N 4.24 0.00 -4.49 0.90 -2.24 -1.04 -4.76 114.28 106.89 1tk5 n THR 271 Ca 0.14 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1tk5 n THR 271 Cb 0.40 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 1tk5 n THR 271 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1tk5 s GLU 272 N -1.82 2.42 0.23 -0.78 2.12 0.11 -4.95 118.70 116.03 1tk5 s GLU 272 Ca 0.01 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1tk5 s GLU 272 Cb 0.05 -2.42 -0.09 0.00 0.26 0.00 0.00 34.13 31.93 1tk5 s GLU 272 CO 0.26 0.58 1.09 1.41 -0.54 0.00 0.00 175.26 178.06 1tk5 s MET 273 N -1.48 4.64 -0.20 4.30 -2.45 -1.26 -0.06 119.30 122.79 1tk5 s MET 273 Ca 0.17 1.74 -0.22 0.00 -1.25 0.00 0.00 55.69 56.13 1tk5 s MET 273 Cb -0.11 -3.23 -0.02 0.00 1.25 0.00 0.00 34.83 32.72 1tk5 s MET 273 CO 0.08 0.18 0.69 0.12 1.05 0.00 0.00 175.02 177.13 1tk5 s PHE 274 N -0.78 3.38 0.08 4.11 5.36 -1.26 -4.79 117.98 124.07 1tk5 s PHE 274 Ca 0.46 1.01 0.07 0.00 -0.96 0.00 0.00 56.93 57.50 1tk5 s PHE 274 Cb -0.30 -2.86 -0.04 0.00 -0.34 0.00 0.00 43.02 39.48 1tk5 s PHE 274 CO 0.38 -0.21 -0.11 0.00 -1.46 0.00 0.00 175.22 173.82 1tk5 s HIS 276 N -1.15 1.98 0.36 0.00 2.46 -0.98 -4.85 115.29 113.11 1tk5 s HIS 276 Ca 0.20 0.06 0.08 0.00 0.47 0.00 0.00 55.06 55.86 1tk5 s HIS 276 Cb -0.11 -4.04 0.78 0.00 -0.13 0.00 0.00 32.58 29.08 1tk5 s HIS 276 CO 0.12 -4.37 1.90 -1.35 -2.47 0.00 0.00 174.74 168.57 1tk5 h PRO 277 N 9.28 0.71 0.10 2.88 0.11 -1.95 0.41 132.00 143.53 1tk5 h PRO 277 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1tk5 h PRO 277 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1tk5 h PRO 277 CO 0.94 0.47 -0.05 -0.09 -0.21 0.00 0.00 178.00 179.06 1tk5 h ARG 278 N 0.73 -0.13 0.12 1.05 2.43 -2.00 -3.42 114.38 113.15 1tk5 h ARG 278 Ca 0.39 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1tk5 h ARG 278 Cb 0.53 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1tk5 h ARG 278 CO -0.16 -0.09 -0.06 1.15 -1.51 0.00 0.00 179.97 179.31 1tk5 h THR 279 N -0.34 0.00 0.00 0.20 2.02 -1.96 -3.48 112.91 109.35 1tk5 h THR 279 Ca -0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1tk5 h THR 279 Cb 0.10 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1tk5 h THR 279 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 1tk5 n GLY 280 N 1.11 1.00 3.73 2.16 0.00 0.14 -4.97 105.19 108.36 1tk5 n GLY 280 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1tk5 n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tk5 s LYS 281 N -0.12 4.28 0.58 1.61 -2.85 -1.26 -4.45 119.74 117.54 1tk5 s LYS 281 Ca 0.00 2.23 -0.20 0.00 -1.00 0.00 0.00 55.97 57.00 1tk5 s LYS 281 Cb 0.00 -3.17 -0.04 0.00 -2.06 0.00 0.00 37.83 32.56 1tk5 s LYS 281 CO 0.00 -0.46 1.15 -2.30 0.10 0.00 0.00 175.35 173.85 1tk5 n PRO 282 N 3.24 1.20 -3.52 1.78 -0.02 -1.26 -2.31 135.00 134.12 1tk5 n PRO 282 Ca 0.10 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.77 1tk5 n PRO 282 Cb 0.41 -2.35 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1tk5 n PRO 282 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1tk5 n LEU 283 N -0.98 2.39 -0.27 2.45 4.77 0.46 -4.88 117.00 120.94 1tk5 n LEU 283 Ca 0.13 -5.11 0.20 0.00 -0.03 0.00 0.00 56.01 51.20 1tk5 n LEU 283 Cb 0.46 -0.31 0.51 0.00 -2.33 0.00 0.00 43.42 41.75 1tk5 n LEU 283 CO 0.51 1.95 1.23 -0.65 -1.33 0.00 0.00 177.39 179.09 1tk5 h PRO 284 N 4.68 0.39 -0.62 3.23 0.11 -1.94 -1.93 132.00 135.92 1tk5 h PRO 284 Ca 0.17 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1tk5 h PRO 284 Cb 0.76 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1tk5 h PRO 284 CO 0.68 0.26 0.10 0.87 -0.21 0.00 0.00 178.00 179.70 1tk5 h LYS 285 N 0.40 1.02 -7.13 1.05 1.79 -1.95 -3.44 116.57 108.31 1tk5 h LYS 285 Ca 0.51 -0.26 -0.53 0.00 -2.18 0.00 0.00 60.65 58.19 1tk5 h LYS 285 Cb 1.30 -0.13 0.13 0.00 -1.58 0.00 0.00 32.23 31.95 1tk5 h LYS 285 CO -0.21 0.93 0.45 0.71 -1.08 0.00 0.00 179.45 180.25 1tk5 s TYR 286 N -5.18 2.26 0.54 -1.35 2.02 -0.72 -4.95 117.35 109.97 1tk5 s TYR 286 Ca -0.11 1.54 -0.22 0.00 -0.37 0.00 0.00 57.07 57.91 1tk5 s TYR 286 Cb 0.15 -3.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.17 1tk5 s TYR 286 CO 0.84 -2.39 1.32 -2.14 -1.57 0.00 0.00 175.55 171.60 1tk5 s PRO 287 N -3.56 3.21 0.57 -1.71 0.02 -1.26 -4.82 135.00 127.45 1tk5 s PRO 287 Ca 0.76 2.14 -0.21 0.00 0.02 0.00 0.00 61.00 63.71 1tk5 s PRO 287 Cb -0.30 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 1tk5 s PRO 287 CO 0.38 -1.10 1.31 1.03 -0.33 0.00 0.00 177.00 178.30 1tk5 s ARG 288 N -2.91 3.04 0.51 5.54 1.81 -1.26 -4.61 118.95 121.07 1tk5 s ARG 288 Ca 0.71 2.12 0.01 0.00 -1.72 0.00 0.00 55.73 56.85 1tk5 s ARG 288 Cb -0.38 -2.14 0.01 0.00 -0.45 0.00 0.00 34.95 31.99 1tk5 s ARG 288 CO 0.45 -1.24 0.10 0.44 -0.68 0.00 0.00 175.30 174.37 1tk5 n ILE 289 N -1.25 0.00 -4.10 1.52 -5.35 0.91 -4.40 119.36 106.69 1tk5 n ILE 289 Ca 0.12 -2.32 -0.17 0.00 -0.27 0.00 0.00 62.75 60.10 1tk5 n ILE 289 Cb 0.46 0.35 -0.15 0.00 -1.74 0.00 0.00 39.64 38.56 1tk5 n ILE 289 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1tk5 s LYS 290 N -3.91 0.52 -0.39 6.28 2.36 -0.58 -0.71 119.74 123.30 1tk5 s LYS 290 Ca 0.07 -0.09 0.01 0.00 -2.55 0.00 0.00 55.97 53.41 1tk5 s LYS 290 Cb -0.01 -0.56 0.11 0.00 -1.05 0.00 0.00 37.83 36.32 1tk5 s LYS 290 CO 0.05 -0.01 0.14 0.99 1.55 0.00 0.00 175.35 178.06 1tk5 s THR 291 N 0.51 2.74 0.19 3.43 2.01 -1.26 -1.93 115.64 121.34 1tk5 s THR 291 Ca -0.06 -2.36 -0.33 0.00 0.31 0.00 0.00 61.69 59.26 1tk5 s THR 291 Cb -0.09 -2.94 -0.14 0.00 0.01 0.00 0.00 72.50 69.34 1tk5 s THR 291 CO -0.00 -0.66 1.47 -0.81 -0.69 0.00 0.00 174.62 173.92 1tk5 n PRO 292 N 4.24 2.00 0.02 4.92 -0.04 -1.26 -4.78 135.00 140.10 1tk5 n PRO 292 Ca 0.02 0.72 -0.05 0.00 -0.04 0.00 0.00 63.50 64.15 1tk5 n PRO 292 Cb 0.41 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 1tk5 n PRO 292 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1tk5 h LYS 293 N 4.96 0.00 -6.56 0.54 1.57 -1.95 -0.34 116.57 114.79 1tk5 h LYS 293 Ca -0.45 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.68 1tk5 h LYS 293 Cb 1.27 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 1tk5 h LYS 293 CO 0.81 0.51 -0.82 0.08 -0.57 0.00 0.00 179.45 179.47 1tk5 s VAL 294 N -2.73 2.36 0.00 0.50 1.01 -1.26 -4.70 120.40 115.58 1tk5 s VAL 294 Ca -0.03 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.88 1tk5 s VAL 294 Cb 0.08 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1tk5 s VAL 294 CO 0.81 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1tk5 n GLY 295 N 0.16 3.69 0.00 4.51 0.00 -1.26 -3.78 105.19 108.51 1tk5 n GLY 295 Ca -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1tk5 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk5 n GLY 296 N -1.12 2.01 0.13 -0.02 0.00 -1.20 -1.18 105.19 103.82 1tk5 n GLY 296 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1tk5 n GLY 296 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tk5 h ILE 297 N 0.80 0.80 -2.02 -0.61 2.04 -1.89 -3.42 117.51 113.20 1tk5 h ILE 297 Ca 0.00 -2.37 -0.58 0.00 1.00 0.00 0.00 64.86 62.91 1tk5 h ILE 297 Cb 0.00 2.58 -0.11 0.00 -0.74 0.00 0.00 36.82 38.55 1tk5 h ILE 297 CO 0.00 0.80 -0.63 -0.36 0.00 0.00 0.00 178.15 177.96 1tk5 s PHE 298 N -2.53 2.57 0.33 1.37 0.40 -1.26 -0.31 117.98 118.55 1tk5 s PHE 298 Ca -0.21 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 1tk5 s PHE 298 Cb 0.06 -1.37 -0.08 0.00 0.51 0.00 0.00 43.02 42.14 1tk5 s PHE 298 CO 0.77 0.53 0.70 0.15 0.70 0.00 0.00 175.22 178.07 1tk5 s LYS 299 N -3.69 3.88 -0.38 0.44 1.02 0.42 -4.51 119.74 116.91 1tk5 s LYS 299 Ca 0.34 0.50 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 1tk5 s LYS 299 Cb -0.02 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.83 1tk5 s LYS 299 CO 0.19 0.13 1.38 -1.59 -0.92 0.00 0.00 175.35 174.54 1tk5 s LYS 300 N -3.26 3.67 0.00 1.68 0.00 -1.26 -4.72 119.74 115.85 1tk5 s LYS 300 Ca 0.52 1.03 0.00 0.00 0.00 0.00 0.00 55.97 57.51 1tk5 s LYS 300 Cb -0.10 -3.98 0.00 0.00 0.00 0.00 0.00 37.83 33.74 1tk5 s LYS 300 CO 0.23 -1.44 0.00 -0.35 0.00 0.00 0.00 175.35 173.79 1tk5 n PRO 301 N 7.86 1.65 0.00 1.78 -0.04 -1.26 -5.13 135.00 139.86 1tk5 n PRO 301 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1tk5 n PRO 301 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1tk5 n PRO 301 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1tk5 n LYS 304 N 0.00 0.00 0.00 0.54 2.85 -1.26 -5.21 118.16 115.08 1tk5 n LYS 304 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1tk5 n LYS 304 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1tk5 n LYS 304 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1tk5 n ALA 305 N 0.00 0.00 0.13 0.58 0.00 -1.26 -4.99 120.51 114.97 1tk5 n ALA 305 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1tk5 n ALA 305 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1tk5 n ALA 305 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tk5 h GLN 306 N 0.00 0.00 -0.65 0.00 7.50 -2.01 0.89 115.11 120.84 1tk5 h GLN 306 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1tk5 h GLN 306 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1tk5 h GLN 306 CO 0.00 0.64 0.24 0.07 -1.50 0.00 0.00 178.83 178.28 1tk5 h ARG 307 N 0.00 0.98 0.02 1.46 0.11 -1.95 -3.14 114.38 111.85 1tk5 h ARG 307 Ca -0.01 -0.19 -0.28 0.00 0.10 0.00 0.00 59.98 59.60 1tk5 h ARG 307 Cb 1.22 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.10 1tk5 h ARG 307 CO 0.08 0.83 -1.60 1.49 0.10 0.00 0.00 179.97 180.87 1tk5 h GLU 308 N 0.91 0.04 0.00 0.08 4.57 -1.93 -3.29 114.58 114.96 1tk5 h GLU 308 Ca 0.21 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1tk5 h GLU 308 Cb 0.23 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1tk5 h GLU 308 CO -0.01 0.67 0.05 0.41 -1.18 0.00 0.00 179.01 178.95 1tk5 n GLY 309 N 1.56 -0.23 0.00 1.92 0.00 0.30 -5.01 105.19 103.73 1tk5 n GLY 309 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1tk5 n GLY 309 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk5 n ARG 310 N -1.19 0.00 0.00 1.61 3.00 -1.22 -5.05 116.66 113.81 1tk5 n ARG 310 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.76 1tk5 n ARG 310 Cb 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1tk5 n ARG 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tk5 s GLU 314 N -1.34 3.85 0.32 0.00 2.12 -1.26 -4.88 118.70 117.51 1tk5 s GLU 314 Ca 0.00 2.42 -0.24 0.00 0.36 0.00 0.00 54.97 57.50 1tk5 s GLU 314 Cb 0.00 -2.76 -0.10 0.00 0.26 0.00 0.00 34.13 31.53 1tk5 s GLU 314 CO 0.00 -0.68 0.90 -0.51 -0.54 0.00 0.00 175.26 174.43 1tk5 s LEU 315 N -2.50 4.30 -0.75 2.70 1.43 -1.26 -0.44 118.68 122.15 1tk5 s LEU 315 Ca 0.58 1.74 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 1tk5 s LEU 315 Cb -0.44 -3.99 0.13 0.00 0.03 0.00 0.00 46.19 41.93 1tk5 s LEU 315 CO 0.57 -0.08 0.87 -0.62 0.23 0.00 0.00 176.35 177.32 1tk5 s ASP 316 N -1.69 6.45 0.23 2.29 3.68 0.58 -4.53 116.67 123.68 1tk5 s ASP 316 Ca 0.50 -1.86 0.16 0.00 2.13 0.00 0.00 52.55 53.48 1tk5 s ASP 316 Cb -0.17 -2.32 0.85 0.00 -1.45 0.00 0.00 42.92 39.83 1tk5 s ASP 316 CO 0.22 -1.01 1.49 0.41 0.13 0.00 0.00 175.17 176.41 1tk5 n THR 317 N 5.22 1.28 -1.77 1.71 -1.04 -1.26 -4.73 114.28 113.70 1tk5 n THR 317 Ca 0.06 0.65 -0.36 0.00 -2.04 0.00 0.00 64.05 62.36 1tk5 n THR 317 Cb 0.46 -1.65 0.06 0.00 -1.82 0.00 0.00 70.33 67.38 1tk5 n THR 317 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1tk5 s ARG 318 N -3.39 2.60 0.00 -2.82 0.52 -1.26 -4.93 118.95 109.67 1tk5 s ARG 318 Ca -0.01 1.97 0.27 0.00 -0.52 0.00 0.00 55.73 57.43 1tk5 s ARG 318 Cb 0.05 -1.86 0.96 0.00 0.52 0.00 0.00 34.95 34.61 1tk5 s ARG 318 CO 0.15 -1.54 1.69 -0.85 0.02 0.00 0.00 175.30 174.78 1tk5 n GLU 319 N -1.94 1.71 -4.19 3.54 0.28 -1.26 -4.92 120.64 113.86 1tk5 n GLU 319 Ca 0.15 -1.04 -0.28 0.00 -0.16 0.00 0.00 57.16 55.83 1tk5 n GLU 319 Cb 0.49 -1.46 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 1tk5 n GLU 319 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1tk5 s TYR 320 N -1.96 2.85 -0.15 -1.84 2.02 -1.26 -5.11 117.35 111.91 1tk5 s TYR 320 Ca 0.37 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1tk5 s TYR 320 Cb 0.20 -1.43 0.02 0.00 -0.40 0.00 0.00 41.96 40.35 1tk5 s TYR 320 CO 0.32 0.48 -0.13 0.08 -1.57 0.00 0.00 175.55 174.74 1tk5 s VAL 321 N -1.48 1.48 -0.09 0.71 1.01 -1.26 -3.26 120.40 117.52 1tk5 s VAL 321 Ca 0.25 -0.60 -0.39 0.00 0.00 0.00 0.00 61.98 61.25 1tk5 s VAL 321 Cb -0.10 -1.42 -0.17 0.00 0.00 0.00 0.00 36.38 34.69 1tk5 s VAL 321 CO 0.17 0.42 1.50 0.00 0.00 0.00 0.00 175.10 177.19 1tk5 n ALA 322 N 4.80 -0.81 0.00 5.51 0.00 -0.32 -0.69 120.51 128.99 1tk5 n ALA 322 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1tk5 n ALA 322 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1tk5 n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk5 n GLY 323 N 3.20 3.04 3.52 0.00 0.00 -0.14 -4.99 105.19 109.83 1tk5 n GLY 323 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1tk5 n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 s ALA 324 N -2.28 2.94 0.50 4.61 0.00 0.14 -4.91 121.76 122.76 1tk5 s ALA 324 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.34 1tk5 s ALA 324 Cb 0.00 -4.05 -0.07 0.00 0.00 0.00 0.00 23.12 18.99 1tk5 s ALA 324 CO 0.00 -2.95 1.08 -1.25 0.00 0.00 0.00 175.76 172.64 1tk5 s PRO 325 N 4.95 3.66 0.16 0.00 0.04 -1.26 -4.41 135.00 138.13 1tk5 s PRO 325 Ca 0.32 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1tk5 s PRO 325 Cb -0.11 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1tk5 s PRO 325 CO 0.16 -0.57 0.16 1.52 0.04 0.00 0.00 177.00 178.30 1tk5 s TYR 326 N -1.86 0.78 -0.31 0.56 1.13 -0.81 -4.99 117.35 111.85 1tk5 s TYR 326 Ca 0.69 -1.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.16 1tk5 s TYR 326 Cb -0.20 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.33 1tk5 s TYR 326 CO 0.24 -0.63 0.10 0.99 -2.51 0.00 0.00 175.55 173.73 1tk5 s THR 327 N -4.05 4.03 0.24 -3.49 2.01 -1.26 -1.53 115.64 111.58 1tk5 s THR 327 Ca 0.26 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1tk5 s THR 327 Cb 0.06 -3.11 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 1tk5 s THR 327 CO 0.04 0.02 1.47 -2.84 -0.69 0.00 0.00 174.62 172.63 1tk5 s PRO 328 N 1.50 4.25 0.08 4.92 0.02 -1.26 -4.95 135.00 139.56 1tk5 s PRO 328 Ca 0.02 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.39 1tk5 s PRO 328 Cb -0.18 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1tk5 s PRO 328 CO 0.03 -0.47 -0.06 0.14 -0.33 0.00 0.00 177.00 176.31 1tk5 s VAL 329 N 0.18 0.59 0.07 3.83 -7.23 -1.25 -0.55 120.40 116.03 1tk5 s VAL 329 Ca 0.61 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.03 1tk5 s VAL 329 Cb -0.43 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1tk5 s VAL 329 CO 0.42 -0.85 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.34 1tk5 s GLU 330 N -3.62 1.16 -0.14 4.82 -1.05 0.53 -4.79 118.70 115.62 1tk5 s GLU 330 Ca 0.09 -0.99 -0.22 0.00 -0.15 0.00 0.00 54.97 53.70 1tk5 s GLU 330 Cb 0.04 -1.30 -0.03 0.00 -0.44 0.00 0.00 34.13 32.40 1tk5 s GLU 330 CO -0.05 0.32 0.66 -1.58 0.95 0.00 0.00 175.26 175.55 1tk5 s HIS 331 N -0.98 3.47 -0.06 4.83 5.65 -1.26 -1.32 115.29 125.62 1tk5 s HIS 331 Ca 0.05 1.07 0.05 0.00 0.25 0.00 0.00 55.06 56.49 1tk5 s HIS 331 Cb -0.09 -2.79 -0.01 0.00 -1.18 0.00 0.00 32.58 28.51 1tk5 s HIS 331 CO 0.03 -0.04 -0.23 0.54 -0.65 0.00 0.00 174.74 174.39 1tk5 s VAL 332 N 1.36 1.87 0.06 0.89 0.11 0.80 -4.98 120.40 120.50 1tk5 s VAL 332 Ca 0.33 -0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 1tk5 s VAL 332 Cb -0.16 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1tk5 s VAL 332 CO 0.13 0.52 0.31 -0.69 -3.33 0.00 0.00 175.10 172.05 1tk5 s VAL 333 N -0.04 5.24 0.11 2.04 1.01 -1.26 -1.33 120.40 126.17 1tk5 s VAL 333 Ca -0.06 0.12 -0.33 0.00 0.00 0.00 0.00 61.98 61.72 1tk5 s VAL 333 Cb -0.14 -3.60 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 1tk5 s VAL 333 CO 0.04 0.24 1.76 0.33 0.00 0.00 0.00 175.10 177.47 1tk5 n PHE 334 N 0.73 2.50 -3.90 5.22 7.35 -1.26 -4.97 117.46 123.13 1tk5 n PHE 334 Ca -0.08 0.01 -0.35 0.00 -0.76 0.00 0.00 57.45 56.28 1tk5 n PHE 334 Cb 0.52 -2.66 -0.13 0.00 0.35 0.00 0.00 39.48 37.56 1tk5 n PHE 334 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1tk5 s ASN 335 N 2.23 4.93 0.36 -2.13 3.84 -1.26 -4.86 114.94 118.04 1tk5 s ASN 335 Ca 0.82 -1.39 0.25 0.00 0.21 0.00 0.00 52.86 52.74 1tk5 s ASN 335 Cb -0.57 -1.72 1.30 0.00 -0.55 0.00 0.00 41.25 39.71 1tk5 s ASN 335 CO 0.39 -0.30 1.76 -0.65 -2.79 0.00 0.00 177.10 175.51 1tk5 h PRO 336 N 7.99 0.00 0.00 0.43 0.11 -1.98 -0.95 132.00 137.60 1tk5 h PRO 336 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1tk5 h PRO 336 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1tk5 h PRO 336 CO 0.55 0.00 -0.53 0.77 -0.21 0.00 0.00 178.00 178.58 1tk5 h SER 337 N 0.00 0.00 -3.40 -2.05 0.02 -1.95 -3.45 113.55 102.72 1tk5 h SER 337 Ca 0.00 -0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.31 1tk5 h SER 337 Cb 0.05 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 1tk5 h SER 337 CO 0.00 0.03 0.73 -0.55 -1.14 0.00 0.00 176.83 175.90 1tk5 s SER 338 N -5.16 6.81 0.45 3.07 0.15 -0.36 -4.89 113.70 113.76 1tk5 s SER 338 Ca 0.05 0.83 0.19 0.00 0.70 0.00 0.00 55.95 57.72 1tk5 s SER 338 Cb 0.10 -2.51 1.08 0.00 -1.71 0.00 0.00 66.02 62.98 1tk5 s SER 338 CO 0.72 -0.87 1.96 0.03 1.20 0.00 0.00 173.24 176.28 1tk5 h ARG 339 N 8.28 0.00 -0.29 5.44 2.47 -1.87 -1.68 114.38 126.72 1tk5 h ARG 339 Ca -0.22 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.44 1tk5 h ARG 339 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 1tk5 h ARG 339 CO 1.01 0.22 -0.07 0.22 0.56 0.00 0.00 179.97 181.91 1tk5 h ASP 340 N 0.00 0.57 -0.30 7.04 3.58 -1.94 -0.77 116.42 124.59 1tk5 h ASP 340 Ca -0.00 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.05 1tk5 h ASP 340 Cb 0.46 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1tk5 h ASP 340 CO 0.03 0.80 0.06 0.45 -2.88 0.00 0.00 179.24 177.70 1tk5 h HIS 341 N 0.33 0.52 -0.21 0.28 3.86 -1.76 -0.35 115.15 117.81 1tk5 h HIS 341 Ca 0.07 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1tk5 h HIS 341 Cb 0.55 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 1tk5 h HIS 341 CO 0.05 0.57 -0.11 0.82 0.86 0.00 0.00 177.93 180.12 1tk5 h ILE 342 N 0.33 0.66 -0.57 2.45 2.04 -1.25 0.33 117.51 121.50 1tk5 h ILE 342 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 1tk5 h ILE 342 Cb 0.32 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1tk5 h ILE 342 CO 0.00 0.00 0.37 -0.61 0.00 0.00 0.00 178.15 177.92 1tk5 h GLN 343 N -0.08 0.75 -0.03 2.37 -0.00 -1.00 -1.46 115.11 115.66 1tk5 h GLN 343 Ca 0.12 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1tk5 h GLN 343 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 1tk5 h GLN 343 CO -0.27 0.50 -0.05 -0.22 0.00 0.00 0.00 178.83 178.80 1tk5 h LYS 344 N 0.77 -0.06 -0.35 1.69 3.64 -0.26 -2.25 116.57 119.75 1tk5 h LYS 344 Ca 0.21 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1tk5 h LYS 344 Cb -0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1tk5 h LYS 344 CO -0.04 -0.04 -0.31 0.87 -2.27 0.00 0.00 179.45 177.65 1tk5 h LYS 345 N -0.07 0.77 -0.24 1.90 1.79 -0.84 -2.78 116.57 117.11 1tk5 h LYS 345 Ca 0.03 -0.36 -0.18 0.00 -2.18 0.00 0.00 60.65 57.96 1tk5 h LYS 345 Cb 0.11 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1tk5 h LYS 345 CO -0.07 0.98 -0.58 -0.07 -1.08 0.00 0.00 179.45 178.62 1tk5 h LEU 346 N 0.65 0.86 -0.53 2.94 3.38 -1.21 -2.58 115.31 118.82 1tk5 h LEU 346 Ca 0.07 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.46 1tk5 h LEU 346 Cb 0.85 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1tk5 h LEU 346 CO 0.07 1.25 -0.07 1.56 0.09 0.00 0.00 178.44 181.34 1tk5 h GLN 347 N 0.58 0.99 0.00 1.13 4.20 -1.46 -0.53 115.11 120.02 1tk5 h GLN 347 Ca 0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1tk5 h GLN 347 Cb 1.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1tk5 h GLN 347 CO 0.12 1.03 0.00 0.93 -0.67 0.00 0.00 178.83 180.24 1tk5 h GLU 348 N 0.86 0.00 -0.01 1.46 5.08 -1.42 0.52 114.58 121.07 1tk5 h GLU 348 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1tk5 h GLU 348 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1tk5 h GLU 348 CO 0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 179.01 177.88 1tk5 n ALA 349 N -2.04 2.91 0.00 3.43 0.00 -0.32 -4.92 120.51 119.57 1tk5 n ALA 349 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1tk5 n ALA 349 Cb 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1tk5 n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk5 n GLY 350 N 1.29 0.86 3.76 0.00 0.00 0.18 -4.27 105.19 107.01 1tk5 n GLY 350 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1tk5 n GLY 350 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1tk5 s TRP 351 N -2.00 3.12 -0.31 1.61 -0.00 -0.53 -4.96 118.94 115.86 1tk5 s TRP 351 Ca 0.00 1.28 0.03 0.00 -0.00 0.00 0.00 56.10 57.41 1tk5 s TRP 351 Cb 0.00 -3.68 0.09 0.00 -0.00 0.00 0.00 33.47 29.88 1tk5 s TRP 351 CO 0.00 -2.01 0.03 0.08 -0.00 0.00 0.00 176.95 175.05 1tk5 s VAL 352 N -0.55 1.94 0.54 5.86 1.01 -1.26 -4.33 120.40 123.61 1tk5 s VAL 352 Ca 0.53 -1.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.34 1tk5 s VAL 352 Cb -0.39 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 1tk5 s VAL 352 CO 0.46 -0.49 0.77 -2.65 0.00 0.00 0.00 175.10 173.20 1tk5 n PRO 353 N 4.42 0.80 -0.00 2.72 -0.02 -1.26 -4.95 135.00 136.72 1tk5 n PRO 353 Ca -0.01 0.30 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1tk5 n PRO 353 Cb 0.42 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1tk5 n PRO 353 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1tk5 n THR 354 N -1.41 0.00 -3.71 3.45 -1.04 -1.26 -5.02 114.28 105.29 1tk5 n THR 354 Ca 0.12 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 1tk5 n THR 354 Cb 0.45 0.66 -0.13 0.00 -1.82 0.00 0.00 70.33 69.49 1tk5 n THR 354 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1tk5 s LYS 355 N -1.81 0.23 0.52 -2.82 -2.85 -1.26 -5.13 119.74 106.62 1tk5 s LYS 355 Ca -0.00 0.60 0.04 0.00 -1.00 0.00 0.00 55.97 55.61 1tk5 s LYS 355 Cb 0.02 -0.09 0.01 0.00 -2.06 0.00 0.00 37.83 35.71 1tk5 s LYS 355 CO 0.10 -0.18 0.22 0.71 0.10 0.00 0.00 175.35 176.30 1tk5 s TYR 356 N 1.45 1.77 0.48 1.78 1.51 -1.26 -1.63 117.35 121.45 1tk5 s TYR 356 Ca -0.08 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 55.13 1tk5 s TYR 356 Cb -0.10 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1tk5 s TYR 356 CO -0.09 -0.13 0.68 0.95 -1.11 0.00 0.00 175.55 175.85 1tk5 s THR 357 N -2.81 3.14 -1.31 -0.71 -4.23 0.16 -4.74 115.64 105.14 1tk5 s THR 357 Ca 0.22 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1tk5 s THR 357 Cb -0.00 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.74 1tk5 s THR 357 CO 0.13 -0.08 0.95 0.47 -0.54 0.00 0.00 174.62 175.54 1tk5 n ASP 358 N -2.12 0.00 -0.76 3.99 8.00 -1.26 -0.51 116.55 123.88 1tk5 n ASP 358 Ca 0.06 0.32 0.08 0.00 0.71 0.00 0.00 54.79 55.96 1tk5 n ASP 358 Cb 0.59 -0.34 0.12 0.00 -0.02 0.00 0.00 41.12 41.47 1tk5 n ASP 358 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1tk5 n LYS 359 N -1.34 1.83 0.00 -1.24 4.81 -1.26 -4.98 118.16 115.98 1tk5 n LYS 359 Ca 0.01 -1.78 0.00 0.00 -0.87 0.00 0.00 58.31 55.67 1tk5 n LYS 359 Cb 0.02 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1tk5 n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tk5 n GLY 360 N 0.96 3.20 3.76 3.14 0.00 0.33 -5.05 105.19 111.53 1tk5 n GLY 360 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1tk5 n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 s ALA 361 N -2.64 3.50 0.35 4.61 0.00 -1.26 -4.55 121.76 121.77 1tk5 s ALA 361 Ca 0.00 1.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.90 1tk5 s ALA 361 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 1tk5 s ALA 361 CO 0.00 -0.58 1.22 -1.25 0.00 0.00 0.00 175.76 175.14 1tk5 s PRO 362 N -1.53 4.26 0.07 0.00 0.04 -1.26 0.38 135.00 136.97 1tk5 s PRO 362 Ca 0.50 2.00 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 1tk5 s PRO 362 Cb -0.39 -2.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 1tk5 s PRO 362 CO 0.50 -0.19 1.39 0.08 0.04 0.00 0.00 177.00 178.81 1tk5 s VAL 363 N -1.25 3.48 -0.52 -0.36 1.01 -0.64 -4.81 120.40 117.30 1tk5 s VAL 363 Ca 0.52 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.58 1tk5 s VAL 363 Cb -0.35 -3.65 0.31 0.00 0.00 0.00 0.00 36.38 32.69 1tk5 s VAL 363 CO 0.45 0.05 0.79 0.52 0.00 0.00 0.00 175.10 176.91 1tk5 n VAL 364 N 4.20 1.68 -3.39 2.92 0.31 -1.26 -4.88 118.33 117.91 1tk5 n VAL 364 Ca 0.12 -5.06 -0.20 0.00 -0.01 0.00 0.00 64.34 59.19 1tk5 n VAL 364 Cb 0.43 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1tk5 n VAL 364 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1tk5 s ASP 365 N -2.68 5.25 0.31 4.52 1.47 -1.26 -4.92 116.67 119.36 1tk5 s ASP 365 Ca 0.43 -0.64 0.08 0.00 1.18 0.00 0.00 52.55 53.60 1tk5 s ASP 365 Cb 0.25 -0.61 0.85 0.00 -0.34 0.00 0.00 42.92 43.07 1tk5 s ASP 365 CO -0.09 -0.68 1.73 -0.78 0.68 0.00 0.00 175.17 176.03 1tk5 h ASP 366 N 0.91 0.66 -0.43 2.11 3.58 -1.98 -0.57 116.42 120.70 1tk5 h ASP 366 Ca -0.41 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 1tk5 h ASP 366 Cb 1.27 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 1tk5 h ASP 366 CO 0.53 0.12 0.11 -0.08 -2.88 0.00 0.00 179.24 177.05 1tk5 h GLU 367 N 0.59 0.68 -0.15 0.28 4.81 -2.00 -1.62 114.58 117.18 1tk5 h GLU 367 Ca 0.63 -0.16 -0.22 0.00 -0.13 0.00 0.00 59.36 59.48 1tk5 h GLU 367 Cb 1.16 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1tk5 h GLU 367 CO -0.47 0.68 -0.79 -0.39 -0.73 0.00 0.00 179.01 177.31 1tk5 h VAL 368 N 0.55 1.28 -0.99 0.32 -1.51 -1.67 -3.11 116.25 111.13 1tk5 h VAL 368 Ca 0.14 -1.99 0.05 0.00 -1.23 0.00 0.00 66.70 63.66 1tk5 h VAL 368 Cb 0.30 2.00 -0.06 0.00 -2.13 0.00 0.00 31.29 31.39 1tk5 h VAL 368 CO -0.00 0.63 0.64 -0.07 -1.23 0.00 0.00 177.57 177.54 1tk5 h LEU 369 N 0.52 1.05 -1.67 4.19 3.38 -1.07 -0.93 115.31 120.78 1tk5 h LEU 369 Ca -0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1tk5 h LEU 369 Cb 1.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1tk5 h LEU 369 CO 0.16 0.70 -0.10 -0.08 0.09 0.00 0.00 178.44 179.21 1tk5 h GLU 370 N 1.20 0.08 -0.01 1.13 4.57 -1.26 -2.63 114.58 117.66 1tk5 h GLU 370 Ca 0.41 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1tk5 h GLU 370 Cb 0.08 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1tk5 h GLU 370 CO -0.14 0.19 -0.23 0.41 -1.18 0.00 0.00 179.01 178.06 1tk5 n GLY 371 N -1.14 -0.15 3.72 1.92 0.00 -0.42 -4.93 105.19 104.19 1tk5 n GLY 371 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1tk5 n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tk5 s VAL 372 N -2.33 3.42 -0.13 1.61 1.01 -0.78 -5.02 120.40 118.19 1tk5 s VAL 372 Ca 0.26 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.29 1tk5 s VAL 372 Cb 0.19 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1tk5 s VAL 372 CO 0.47 0.09 -0.13 -0.13 0.00 0.00 0.00 175.10 175.40 1tk5 s ARG 373 N 0.92 2.10 0.19 2.72 1.81 -1.26 -5.05 118.95 120.38 1tk5 s ARG 373 Ca 0.62 -0.49 0.08 0.00 -1.72 0.00 0.00 55.73 54.22 1tk5 s ARG 373 Cb -0.35 -1.92 -0.04 0.00 -0.45 0.00 0.00 34.95 32.18 1tk5 s ARG 373 CO 0.31 -0.19 -0.16 0.14 -0.68 0.00 0.00 175.30 174.73 1tk5 s VAL 374 N 1.37 1.75 -0.00 3.52 -7.23 -1.26 -4.64 120.40 113.91 1tk5 s VAL 374 Ca 0.01 -2.09 -0.24 0.00 -1.81 0.00 0.00 61.98 57.85 1tk5 s VAL 374 Cb -0.13 -1.95 -0.15 0.00 0.56 0.00 0.00 36.38 34.70 1tk5 s VAL 374 CO -0.07 -0.50 1.12 0.44 -0.31 0.00 0.00 175.10 175.78 1tk5 h ASP 375 N 2.83 -0.41 -1.97 4.85 3.32 -1.96 -3.44 116.42 119.64 1tk5 h ASP 375 Ca -0.39 -0.15 -0.60 0.00 0.02 0.00 0.00 57.03 55.91 1tk5 h ASP 375 Cb 1.22 0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.88 1tk5 h ASP 375 CO 0.58 -0.02 1.28 -0.67 -1.72 0.00 0.00 179.24 178.69 1tk5 n ASP 376 N -5.15 3.41 0.20 6.45 2.03 -1.26 -4.85 116.55 117.37 1tk5 n ASP 376 Ca -0.09 0.68 0.07 0.00 0.52 0.00 0.00 54.79 55.96 1tk5 n ASP 376 Cb 0.28 -1.44 0.58 0.00 -0.72 0.00 0.00 41.12 39.82 1tk5 n ASP 376 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tk5 h PRO 377 N 11.54 0.13 -0.25 -0.67 0.13 -1.99 -0.35 132.00 140.54 1tk5 h PRO 377 Ca -0.44 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1tk5 h PRO 377 Cb 1.26 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1tk5 h PRO 377 CO 0.96 0.09 -0.22 1.49 -0.23 0.00 0.00 178.00 180.09 1tk5 h GLU 378 N 0.13 0.60 -0.10 0.86 4.81 -1.97 -1.28 114.58 117.63 1tk5 h GLU 378 Ca 0.04 -0.31 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 1tk5 h GLU 378 Cb -0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1tk5 h GLU 378 CO -0.01 0.90 -0.50 0.87 -0.73 0.00 0.00 179.01 179.54 1tk5 h LYS 379 N 0.32 0.25 -0.42 1.92 1.57 -1.86 -0.90 116.57 117.46 1tk5 h LYS 379 Ca 0.04 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1tk5 h LYS 379 Cb 0.77 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1tk5 h LYS 379 CO 0.06 0.70 0.07 0.37 -0.57 0.00 0.00 179.45 180.07 1tk5 h GLN 380 N 0.20 0.69 0.00 3.15 5.75 -0.96 -2.64 115.11 121.30 1tk5 h GLN 380 Ca 0.01 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.28 1tk5 h GLN 380 Cb 0.95 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 1tk5 h GLN 380 CO 0.08 0.73 -0.22 0.00 -2.65 0.00 0.00 178.83 176.77 1tk5 h ALA 381 N 0.93 0.96 0.00 3.38 0.00 -1.05 -2.89 119.26 120.61 1tk5 h ALA 381 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1tk5 h ALA 381 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tk5 h ALA 381 CO 0.01 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.44 1tk5 h ALA 382 N 1.78 1.11 -0.34 0.00 0.00 -0.79 -2.53 119.26 118.50 1tk5 h ALA 382 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1tk5 h ALA 382 Cb 0.84 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1tk5 h ALA 382 CO 0.03 0.12 0.04 0.82 0.00 0.00 0.00 179.25 180.25 1tk5 h ILE 383 N 0.00 1.18 -0.35 0.00 2.04 -1.41 -0.71 117.51 118.26 1tk5 h ILE 383 Ca -0.00 -0.69 -0.12 0.00 1.00 0.00 0.00 64.86 65.05 1tk5 h ILE 383 Cb 0.42 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1tk5 h ILE 383 CO 0.01 0.24 -0.27 0.44 0.00 0.00 0.00 178.15 178.57 1tk5 h ASP 384 N 0.50 0.73 -0.20 1.72 3.32 -1.63 -1.47 116.42 119.39 1tk5 h ASP 384 Ca 0.11 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1tk5 h ASP 384 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1tk5 h ASP 384 CO 0.00 0.97 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.31 1tk5 h LEU 385 N 0.62 0.56 -0.23 1.55 3.38 -1.31 -0.79 115.31 119.08 1tk5 h LEU 385 Ca 0.08 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1tk5 h LEU 385 Cb 0.77 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1tk5 h LEU 385 CO 0.06 0.71 -0.21 0.40 0.09 0.00 0.00 178.44 179.49 1tk5 h ILE 386 N 0.53 1.32 -0.52 1.22 2.04 -0.87 0.76 117.51 121.99 1tk5 h ILE 386 Ca 0.10 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1tk5 h ILE 386 Cb 0.51 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1tk5 h ILE 386 CO 0.03 0.43 0.29 0.11 0.00 0.00 0.00 178.15 179.01 1tk5 h LYS 387 N 0.26 0.72 -0.65 2.37 1.57 -1.06 -0.44 116.57 119.34 1tk5 h LYS 387 Ca 0.04 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1tk5 h LYS 387 Cb 0.76 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1tk5 h LYS 387 CO 0.05 0.55 0.21 1.49 -0.57 0.00 0.00 179.45 181.18 1tk5 h GLU 388 N 0.69 1.00 -0.63 3.15 4.81 -1.08 -2.18 114.58 120.35 1tk5 h GLU 388 Ca 0.18 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1tk5 h GLU 388 Cb 0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1tk5 h GLU 388 CO -0.03 0.87 0.39 -0.92 -0.73 0.00 0.00 179.01 178.59 1tk5 h TYR 389 N 0.93 0.83 -0.67 0.92 5.03 -0.36 -0.43 116.97 123.22 1tk5 h TYR 389 Ca 0.21 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1tk5 h TYR 389 Cb 0.28 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 1tk5 h TYR 389 CO 0.02 0.56 0.35 -0.07 -1.32 0.00 0.00 178.16 177.70 1tk5 h LEU 390 N 0.86 0.85 -0.29 2.82 3.38 -0.85 -1.13 115.31 120.95 1tk5 h LEU 390 Ca 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1tk5 h LEU 390 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1tk5 h LEU 390 CO -0.04 0.71 0.06 -0.03 0.09 0.00 0.00 178.44 179.23 1tk5 h MET 391 N 0.92 0.47 -0.80 1.13 4.05 -1.01 -2.28 114.93 117.41 1tk5 h MET 391 Ca 0.23 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1tk5 h MET 391 Cb 0.07 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 1tk5 h MET 391 CO -0.03 0.56 0.49 0.82 0.23 0.00 0.00 176.91 178.98 1tk5 h ILE 392 N 0.30 1.06 -0.81 1.77 1.08 -0.83 -1.67 117.51 118.40 1tk5 h ILE 392 Ca 0.09 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 1tk5 h ILE 392 Cb 0.31 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.08 1tk5 h ILE 392 CO 0.00 0.17 0.41 1.56 -0.69 0.00 0.00 178.15 179.60 1tk5 h GLN 393 N 0.92 1.15 -0.71 2.37 1.08 -1.06 -0.38 115.11 118.48 1tk5 h GLN 393 Ca 0.34 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1tk5 h GLN 393 Cb 0.11 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1tk5 h GLN 393 CO -0.15 0.87 0.31 -0.22 -0.95 0.00 0.00 178.83 178.69 1tk5 h LYS 394 N 1.15 1.04 -0.40 1.46 1.63 -0.74 0.17 116.57 120.87 1tk5 h LYS 394 Ca 0.28 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.75 1tk5 h LYS 394 Cb 0.09 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1tk5 h LYS 394 CO -0.04 0.84 -0.36 0.00 -3.45 0.00 0.00 179.45 176.44 1tk5 h ARG 395 N 1.00 0.96 -0.48 1.90 2.47 -0.79 -2.36 114.38 117.07 1tk5 h ARG 395 Ca 0.24 -0.49 -0.07 0.00 -1.26 0.00 0.00 59.98 58.40 1tk5 h ARG 395 Cb 0.17 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 1tk5 h ARG 395 CO -0.02 1.15 0.03 0.82 0.56 0.00 0.00 179.97 182.51 1tk5 h ILE 396 N 0.79 1.26 -0.50 2.04 2.04 -0.90 -1.30 117.51 120.93 1tk5 h ILE 396 Ca 0.07 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1tk5 h ILE 396 Cb 0.95 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1tk5 h ILE 396 CO 0.09 0.36 0.19 1.23 0.00 0.00 0.00 178.15 180.01 1tk5 h GLY 397 N 0.69 0.82 1.12 5.37 0.00 -0.92 0.20 103.07 110.36 1tk5 h GLY 397 Ca 0.14 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 46.83 1tk5 h GLY 397 CO 0.02 0.43 -0.51 -1.61 0.00 0.00 0.00 176.54 174.88 1tk5 h GLN 398 N 0.68 0.87 0.06 4.80 4.15 -1.35 0.46 115.11 124.78 1tk5 h GLN 398 Ca 0.17 -0.54 -0.30 0.00 0.77 0.00 0.00 58.65 58.74 1tk5 h GLN 398 Cb 0.22 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1tk5 h GLN 398 CO -0.01 1.17 -1.67 0.66 -1.93 0.00 0.00 178.83 177.05 1tk5 h SER 399 N 0.65 0.19 0.00 -0.69 4.64 -1.22 -1.95 113.55 115.17 1tk5 h SER 399 Ca 0.02 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1tk5 h SER 399 Cb 1.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1tk5 h SER 399 CO 0.11 1.30 -0.42 0.00 -0.87 0.00 0.00 176.83 176.95 1tk5 n ALA 400 N -2.66 2.44 -0.01 5.18 0.00 0.50 -2.02 120.51 123.93 1tk5 n ALA 400 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1tk5 n ALA 400 Cb 1.04 0.21 -0.12 0.00 0.00 0.00 0.00 19.45 20.58 1tk5 n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk5 n GLU 401 N -2.27 0.65 -0.75 0.00 1.02 0.02 -4.75 120.64 114.55 1tk5 n GLU 401 Ca 0.00 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 1tk5 n GLU 401 Cb 0.21 -1.65 0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1tk5 n GLU 401 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tk5 s GLY 402 N -4.87 1.69 0.56 0.62 0.00 0.16 -4.86 107.32 100.63 1tk5 s GLY 402 Ca -0.06 0.57 0.24 0.00 0.00 0.00 0.00 44.72 45.47 1tk5 s GLY 402 CO 0.84 0.98 2.21 -0.55 0.00 0.00 0.00 173.10 176.58 1tk5 h ASP 403 N -1.79 0.00 -0.35 1.64 5.19 -1.94 -1.74 116.42 117.43 1tk5 h ASP 403 Ca -0.43 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.86 1tk5 h ASP 403 Cb 1.27 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.70 1tk5 h ASP 403 CO 0.42 0.01 0.01 0.29 -3.12 0.00 0.00 179.24 176.85 1tk5 n LYS 404 N -4.13 2.39 -1.74 3.56 4.76 -1.26 -4.99 118.16 116.75 1tk5 n LYS 404 Ca -0.03 -3.02 -0.39 0.00 -2.87 0.00 0.00 58.31 52.01 1tk5 n LYS 404 Cb 0.09 -1.86 0.04 0.00 -1.84 0.00 0.00 35.03 31.46 1tk5 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tk5 n ALA 405 N -0.83 1.59 -0.26 7.82 0.00 -0.66 -4.61 120.51 123.57 1tk5 n ALA 405 Ca 0.29 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.90 1tk5 n ALA 405 Cb 1.02 -2.35 0.14 0.00 0.00 0.00 0.00 19.45 18.26 1tk5 n ALA 405 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1tk5 h TRP 406 N 1.58 0.72 0.00 0.00 6.55 -1.20 -1.40 115.95 122.20 1tk5 h TRP 406 Ca -0.51 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.36 1tk5 h TRP 406 Cb 1.30 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 29.39 1tk5 h TRP 406 CO 0.46 0.29 -0.02 -0.07 -1.05 0.00 0.00 178.44 178.05 1tk5 h LEU 407 N 0.68 0.00 0.00 -4.49 3.38 -1.71 -1.44 115.31 111.73 1tk5 h LEU 407 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1tk5 h LEU 407 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1tk5 h LEU 407 CO -0.24 0.02 -0.73 0.03 0.09 0.00 0.00 178.44 177.61 1tk5 h ARG 408 N 0.00 0.00 0.00 1.13 3.08 -1.55 -3.36 114.38 113.68 1tk5 h ARG 408 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tk5 h ARG 408 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1tk5 h ARG 408 CO 0.00 0.02 -1.57 0.66 -1.07 0.00 0.00 179.97 178.01 1tk5 n TYR 409 N -2.81 0.06 -1.70 3.04 4.01 -0.62 -4.95 117.16 114.19 1tk5 n TYR 409 Ca 0.01 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1tk5 n TYR 409 Cb 0.56 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1tk5 n TYR 409 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1tk5 n VAL 410 N -2.01 0.29 -2.28 -0.72 0.24 -0.76 -4.57 118.33 108.53 1tk5 n VAL 410 Ca -0.01 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.34 61.99 1tk5 n VAL 410 Cb 0.48 -2.12 0.15 0.00 -1.47 0.00 0.00 33.84 30.89 1tk5 n VAL 410 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tk5 n ALA 411 N 5.34 -0.57 0.16 2.33 0.00 -0.28 -4.94 120.51 122.54 1tk5 n ALA 411 Ca 0.18 -1.79 0.04 0.00 0.00 0.00 0.00 53.44 51.86 1tk5 n ALA 411 Cb 0.37 0.13 0.46 0.00 0.00 0.00 0.00 19.45 20.41 1tk5 n ALA 411 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1tk5 h GLU 412 N 0.00 0.17 0.00 0.00 4.39 -1.93 -2.22 114.58 114.99 1tk5 h GLU 412 Ca -0.36 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1tk5 h GLU 412 Cb 1.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1tk5 h GLU 412 CO 0.32 0.27 0.00 -0.40 -1.16 0.00 0.00 179.01 178.04 1tk5 n ASP 413 N -4.34 0.00 -0.88 1.42 5.68 -1.26 -4.85 116.55 112.32 1tk5 n ASP 413 Ca -0.01 -1.67 -0.09 0.00 -0.50 0.00 0.00 54.79 52.52 1tk5 n ASP 413 Cb 0.22 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1tk5 n ASP 413 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk5 n GLY 414 N 0.43 0.44 3.21 6.12 0.00 -0.83 -4.99 105.19 109.56 1tk5 n GLY 414 Ca 0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1tk5 n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk5 s LYS 415 N -3.76 0.94 -0.19 1.61 1.02 -1.26 -1.41 119.74 116.69 1tk5 s LYS 415 Ca 0.00 -1.26 -0.06 0.00 0.02 0.00 0.00 55.97 54.67 1tk5 s LYS 415 Cb 0.00 -0.62 -0.03 0.00 -0.52 0.00 0.00 37.83 36.66 1tk5 s LYS 415 CO 0.00 0.09 0.04 0.42 -0.92 0.00 0.00 175.35 174.98 1tk5 s ILE 416 N -2.65 4.45 -0.93 2.17 1.01 -0.59 -1.13 121.20 123.53 1tk5 s ILE 416 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1tk5 s ILE 416 Cb -0.02 -3.01 0.28 0.00 0.01 0.00 0.00 42.46 39.73 1tk5 s ILE 416 CO 0.01 0.44 1.20 1.41 0.00 0.00 0.00 174.94 177.99 1tk5 n HIS 417 N 3.89 2.90 -1.89 3.97 8.25 -1.26 -0.80 115.22 130.27 1tk5 n HIS 417 Ca -0.17 -3.22 -0.38 0.00 -0.26 0.00 0.00 57.72 53.70 1tk5 n HIS 417 Cb 0.52 -1.03 0.04 0.00 1.12 0.00 0.00 29.99 30.63 1tk5 n HIS 417 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1tk5 s GLY 418 N -1.85 2.84 0.36 -1.41 0.00 -1.26 -4.83 107.32 101.18 1tk5 s GLY 418 Ca 0.34 1.20 -0.12 0.00 0.00 0.00 0.00 44.72 46.15 1tk5 s GLY 418 CO 0.05 1.68 0.74 -0.56 0.00 0.00 0.00 173.10 175.01 1tk5 s SER 419 N -1.17 6.60 -0.02 1.64 0.01 0.90 -4.73 113.70 116.92 1tk5 s SER 419 Ca 0.73 1.15 0.01 0.00 1.31 0.00 0.00 55.95 59.14 1tk5 s SER 419 Cb -0.37 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.56 1tk5 s SER 419 CO 0.42 -0.31 -0.02 -0.69 0.41 0.00 0.00 173.24 173.06 1tk5 s VAL 420 N -2.20 0.25 -0.47 3.43 1.01 -1.26 -1.47 120.40 119.69 1tk5 s VAL 420 Ca 0.52 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.37 1tk5 s VAL 420 Cb -0.10 -0.30 0.10 0.00 0.00 0.00 0.00 36.38 36.07 1tk5 s VAL 420 CO 0.26 0.14 0.36 0.21 0.00 0.00 0.00 175.10 176.07 1tk5 s ASN 421 N 0.71 5.86 0.61 3.32 3.84 0.24 -4.96 114.94 124.55 1tk5 s ASN 421 Ca -0.07 -1.68 0.26 0.00 0.21 0.00 0.00 52.86 51.58 1tk5 s ASN 421 Cb -0.11 -2.07 1.21 0.00 -0.55 0.00 0.00 41.25 39.73 1tk5 s ASN 421 CO -0.01 -0.68 1.63 -0.65 -2.79 0.00 0.00 177.10 174.60 1tk5 h PRO 422 N 8.58 0.00 -0.74 0.43 0.11 -1.92 -0.45 132.00 138.01 1tk5 h PRO 422 Ca -0.25 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.55 1tk5 h PRO 422 Cb 1.09 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 1tk5 h PRO 422 CO 0.87 0.00 -1.03 -1.71 -0.21 0.00 0.00 178.00 175.92 1tk5 n ASN 423 N -3.37 0.86 0.23 -2.05 5.15 -1.26 -3.91 115.26 110.91 1tk5 n ASN 423 Ca 0.12 -2.57 0.14 0.00 -0.60 0.00 0.00 54.58 51.67 1tk5 n ASN 423 Cb 0.97 -0.25 0.38 0.00 -0.53 0.00 0.00 39.78 40.35 1tk5 n ASN 423 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1tk5 h GLY 424 N 2.73 0.00 -5.22 8.20 0.00 -1.13 -3.45 103.07 104.21 1tk5 h GLY 424 Ca -0.14 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.54 1tk5 h GLY 424 CO 0.35 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.39 1tk5 s ALA 425 N -3.37 3.90 0.39 3.60 0.00 -0.38 -4.85 121.76 121.05 1tk5 s ALA 425 Ca 0.05 -0.76 0.15 0.00 0.00 0.00 0.00 51.96 51.40 1tk5 s ALA 425 Cb 0.07 -1.85 1.02 0.00 0.00 0.00 0.00 23.12 22.35 1tk5 s ALA 425 CO 0.61 0.73 1.81 -0.39 0.00 0.00 0.00 175.76 178.52 1tk5 h VAL 426 N 2.98 0.64 0.00 0.00 -1.51 -1.87 -0.06 116.25 116.43 1tk5 h VAL 426 Ca -0.50 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 1tk5 h VAL 426 Cb 1.19 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1tk5 h VAL 426 CO 0.67 0.09 0.00 0.35 -1.23 0.00 0.00 177.57 177.45 1tk5 n THR 427 N -4.59 0.63 0.00 7.19 -2.24 -1.26 -4.54 114.28 109.47 1tk5 n THR 427 Ca 0.22 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1tk5 n THR 427 Cb 0.73 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1tk5 n THR 427 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tk5 n GLY 428 N 0.62 0.69 3.80 3.38 0.00 -0.04 -4.27 105.19 109.37 1tk5 n GLY 428 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1tk5 n GLY 428 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tk5 s ARG 429 N -0.57 2.77 0.45 1.61 0.52 -1.25 -4.72 118.95 117.76 1tk5 s ARG 429 Ca 0.00 1.08 -0.03 0.00 -0.52 0.00 0.00 55.73 56.26 1tk5 s ARG 429 Cb 0.00 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1tk5 s ARG 429 CO 0.00 -1.24 0.71 0.00 0.02 0.00 0.00 175.30 174.79 1tk5 s ALA 430 N -2.88 3.54 0.14 2.13 0.00 -1.25 -1.25 121.76 122.19 1tk5 s ALA 430 Ca 0.60 -0.74 0.10 0.00 0.00 0.00 0.00 51.96 51.93 1tk5 s ALA 430 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1tk5 s ALA 430 CO 0.52 -0.30 -0.23 0.95 0.00 0.00 0.00 175.76 176.69 1tk5 s THR 431 N -2.61 2.46 -0.01 0.00 -4.23 -0.24 -4.65 115.64 106.37 1tk5 s THR 431 Ca 0.46 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.27 1tk5 s THR 431 Cb -0.10 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1tk5 s THR 431 CO 0.41 0.04 -0.17 -1.00 -0.54 0.00 0.00 174.62 173.36 1tk5 s HIS 432 N -1.24 1.54 0.21 3.99 3.76 -1.26 -0.60 115.29 121.69 1tk5 s HIS 432 Ca 0.17 -0.29 -0.22 0.00 -0.15 0.00 0.00 55.06 54.56 1tk5 s HIS 432 Cb -0.10 -0.99 0.05 0.00 1.11 0.00 0.00 32.58 32.66 1tk5 s HIS 432 CO 0.08 -0.02 0.70 0.00 -0.85 0.00 0.00 174.74 174.65 1tk5 s ALA 433 N -0.42 -1.43 -1.10 -1.40 0.00 -0.54 -4.43 121.76 112.43 1tk5 s ALA 433 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1tk5 s ALA 433 Cb -0.07 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1tk5 s ALA 433 CO -0.01 -0.91 0.93 1.19 0.00 0.00 0.00 175.76 176.96 1tk5 n PHE 434 N -0.42 -2.20 -2.62 0.00 3.72 -1.26 -0.07 117.46 114.62 1tk5 n PHE 434 Ca -0.10 0.88 -0.22 0.00 -0.05 0.00 0.00 57.45 57.96 1tk5 n PHE 434 Cb 0.62 -4.65 0.07 0.00 -0.94 0.00 0.00 39.48 34.58 1tk5 n PHE 434 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1tk5 s PRO 435 N -4.97 2.10 -0.69 -1.08 0.04 -1.26 -3.99 135.00 125.15 1tk5 s PRO 435 Ca 0.15 -0.97 -0.24 0.00 0.04 0.00 0.00 61.00 59.98 1tk5 s PRO 435 Cb -0.02 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1tk5 s PRO 435 CO 0.70 -1.10 1.10 1.21 0.04 0.00 0.00 177.00 178.96 1tk5 s ASN 436 N -4.59 6.17 0.00 6.66 3.84 -1.26 -4.39 114.94 121.37 1tk5 s ASN 436 Ca 0.62 -0.74 0.17 0.00 0.21 0.00 0.00 52.86 53.12 1tk5 s ASN 436 Cb -0.08 -2.48 1.01 0.00 -0.55 0.00 0.00 41.25 39.15 1tk5 s ASN 436 CO 0.41 -1.61 1.55 0.18 -2.79 0.00 0.00 177.10 174.85 1tk5 n LEU 437 N 8.41 0.00 -1.34 3.21 4.77 -1.26 -2.70 117.00 128.10 1tk5 n LEU 437 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1tk5 n LEU 437 Cb 0.47 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.88 1tk5 n LEU 437 CO 0.67 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.50 1tk5 n ALA 438 N -0.81 2.53 -1.81 -1.18 0.00 -1.26 -4.28 120.51 113.69 1tk5 n ALA 438 Ca 0.13 -1.37 0.05 0.00 0.00 0.00 0.00 53.44 52.24 1tk5 n ALA 438 Cb 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 19.45 18.69 1tk5 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk5 n GLN 439 N 1.40 0.61 -2.16 0.00 10.64 -1.10 -5.07 117.38 121.71 1tk5 n GLN 439 Ca 0.24 -2.06 -0.41 0.00 -1.83 0.00 0.00 57.00 52.93 1tk5 n GLN 439 Cb 0.67 -0.84 -0.03 0.00 -0.86 0.00 0.00 30.24 29.19 1tk5 n GLN 439 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1tk5 s ILE 440 N -1.32 3.08 0.17 -0.39 -1.09 -1.26 -4.91 121.20 115.48 1tk5 s ILE 440 Ca 0.23 0.88 -0.33 0.00 -2.23 0.00 0.00 60.65 59.20 1tk5 s ILE 440 Cb 0.23 -3.56 -0.15 0.00 -1.58 0.00 0.00 42.46 37.40 1tk5 s ILE 440 CO -0.05 0.13 1.34 -2.65 -1.23 0.00 0.00 174.94 172.48 1tk5 n PRO 441 N 2.64 1.57 -1.31 2.79 -0.02 -1.26 -4.94 135.00 134.46 1tk5 n PRO 441 Ca 0.07 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1tk5 n PRO 441 Cb 0.42 -2.18 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1tk5 n PRO 441 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1tk5 s GLY 442 N 0.33 1.69 0.65 -1.23 0.00 -1.26 -4.51 107.32 102.99 1tk5 s GLY 442 Ca 0.75 0.26 0.41 0.00 0.00 0.00 0.00 44.72 46.13 1tk5 s GLY 442 CO 0.48 0.60 2.34 -0.39 0.00 0.00 0.00 173.10 176.13 1tk5 h VAL 443 N -1.04 0.14 0.00 1.40 -1.51 -1.93 -2.00 116.25 111.32 1tk5 h VAL 443 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1tk5 h VAL 443 Cb 1.23 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1tk5 h VAL 443 CO 0.52 0.00 -0.34 0.54 -1.23 0.00 0.00 177.57 177.06 1tk5 n ARG 444 N -3.28 0.15 -3.31 5.19 1.74 -1.26 -4.11 116.66 111.77 1tk5 n ARG 444 Ca -0.03 0.07 -0.25 0.00 -0.77 0.00 0.00 57.85 56.87 1tk5 n ARG 444 Cb 0.08 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.88 1tk5 n ARG 444 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tk5 s SER 445 N -3.69 6.33 -0.05 0.55 1.04 -0.75 -4.98 113.70 112.14 1tk5 s SER 445 Ca 0.10 0.55 -0.37 0.00 0.48 0.00 0.00 55.95 56.71 1tk5 s SER 445 Cb 0.15 -2.08 -0.15 0.00 0.10 0.00 0.00 66.02 64.05 1tk5 s SER 445 CO 0.65 -0.29 1.57 -2.65 0.98 0.00 0.00 173.24 173.50 1tk5 n PRO 446 N -1.60 1.39 -0.86 4.02 -0.02 -1.26 -0.33 135.00 136.35 1tk5 n PRO 446 Ca -0.04 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1tk5 n PRO 446 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1tk5 n PRO 446 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1tk5 n TYR 447 N 4.07 0.00 -0.36 6.00 4.01 -1.26 -4.88 117.16 124.75 1tk5 n TYR 447 Ca 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.94 1tk5 n TYR 447 Cb 0.19 -0.90 0.13 0.00 -0.31 0.00 0.00 39.34 38.46 1tk5 n TYR 447 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1tk5 h GLY 448 N 0.00 1.37 1.19 2.72 0.00 -0.83 -2.09 103.07 105.43 1tk5 h GLY 448 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1tk5 h GLY 448 CO 0.00 0.49 0.27 0.83 0.00 0.00 0.00 176.54 178.13 1tk5 h GLU 449 N 1.31 1.03 -0.24 4.80 5.08 -1.77 0.11 114.58 124.90 1tk5 h GLU 449 Ca 0.36 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 1tk5 h GLU 449 Cb -0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 28.94 1tk5 h GLU 449 CO -0.08 0.85 -0.47 1.96 -1.00 0.00 0.00 179.01 180.27 1tk5 h GLN 450 N 1.01 0.74 0.43 2.33 4.20 -1.88 -1.48 115.11 120.46 1tk5 h GLN 450 Ca 0.23 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1tk5 h GLN 450 Cb 0.21 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1tk5 h GLN 450 CO -0.02 1.10 -0.21 0.00 -0.67 0.00 0.00 178.83 179.03 1tk5 h ARG 452 N -0.63 1.23 0.00 0.00 9.65 -1.03 -2.34 114.38 121.26 1tk5 h ARG 452 Ca -0.06 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 1tk5 h ARG 452 Cb 0.47 -0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 1tk5 h ARG 452 CO 0.10 0.81 -0.13 0.00 2.80 0.00 0.00 179.97 183.55 1tk5 h ALA 453 N 1.39 1.18 0.00 2.80 0.00 -1.18 -2.51 119.26 120.94 1tk5 h ALA 453 Ca 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1tk5 h ALA 453 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tk5 h ALA 453 CO -0.11 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1tk5 h ALA 454 N 1.87 1.00 -2.83 0.00 0.00 -1.12 -3.40 119.26 114.78 1tk5 h ALA 454 Ca -0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.20 1tk5 h ALA 454 Cb 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.97 1tk5 h ALA 454 CO 0.02 0.00 -0.52 -0.06 0.00 0.00 0.00 179.25 178.68 1tk5 s PHE 455 N -3.25 3.24 -0.23 0.00 0.40 -0.95 0.09 117.98 117.28 1tk5 s PHE 455 Ca 0.07 -0.96 -0.30 0.00 -0.60 0.00 0.00 56.93 55.14 1tk5 s PHE 455 Cb 0.10 -2.42 0.16 0.00 0.51 0.00 0.00 43.02 41.37 1tk5 s PHE 455 CO 0.50 -0.64 1.20 0.20 0.70 0.00 0.00 175.22 177.19 1tk5 s GLY 456 N 1.55 -0.09 0.51 4.36 0.00 -0.71 -0.84 107.32 112.11 1tk5 s GLY 456 Ca 0.02 2.38 0.18 0.00 0.00 0.00 0.00 44.72 47.29 1tk5 s GLY 456 CO 0.06 1.00 2.11 0.00 0.00 0.00 0.00 173.10 176.28 1tk5 h ALA 457 N 2.23 2.10 -0.11 3.20 0.00 -1.80 -1.49 119.26 123.40 1tk5 h ALA 457 Ca -0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1tk5 h ALA 457 Cb 1.18 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tk5 h ALA 457 CO 0.26 -0.13 0.12 1.05 0.00 0.00 0.00 179.25 180.54 1tk5 h GLU 458 N 0.04 0.00 -0.00 0.00 4.11 -0.95 -0.22 114.58 117.55 1tk5 h GLU 458 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1tk5 h GLU 458 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1tk5 h GLU 458 CO -0.00 0.00 -0.00 0.72 0.07 0.00 0.00 179.01 179.80 1tk5 n HIS 459 N -3.85 0.00 -4.15 2.06 8.25 -0.56 -4.51 115.22 112.46 1tk5 n HIS 459 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1tk5 n HIS 459 Cb 0.23 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.21 1tk5 n HIS 459 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1tk5 s HIS 460 N -2.00 3.04 -0.17 4.41 5.65 -0.10 -4.74 115.29 121.38 1tk5 s HIS 460 Ca 0.47 -0.40 -0.11 0.00 0.25 0.00 0.00 55.06 55.27 1tk5 s HIS 460 Cb 0.22 -2.05 -0.05 0.00 -1.18 0.00 0.00 32.58 29.52 1tk5 s HIS 460 CO 0.37 -0.17 0.19 -0.51 -0.65 0.00 0.00 174.74 173.96 1tk5 s LEU 461 N 0.81 4.26 0.26 8.88 1.43 -1.26 -1.72 118.68 131.35 1tk5 s LEU 461 Ca 0.00 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.18 1tk5 s LEU 461 Cb -0.14 -2.18 -0.14 0.00 0.03 0.00 0.00 46.19 43.76 1tk5 s LEU 461 CO 0.02 0.21 1.30 -0.67 0.23 0.00 0.00 176.35 177.44 1tk5 n ASP 462 N 3.17 2.39 0.30 2.29 2.03 0.11 -4.76 116.55 122.09 1tk5 n ASP 462 Ca -0.16 1.16 0.17 0.00 0.52 0.00 0.00 54.79 56.49 1tk5 n ASP 462 Cb 0.53 -1.40 0.96 0.00 -0.72 0.00 0.00 41.12 40.49 1tk5 n ASP 462 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1tk5 h GLY 463 N 3.46 0.00 0.00 0.27 0.00 -1.90 0.10 103.07 105.00 1tk5 h GLY 463 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1tk5 h GLY 463 CO 0.70 0.00 -1.19 1.39 0.00 0.00 0.00 176.54 177.44 1tk5 n ILE 464 N -3.50 1.50 0.28 2.60 2.08 -1.26 -4.74 119.36 116.32 1tk5 n ILE 464 Ca -0.03 0.07 0.12 0.00 0.56 0.00 0.00 62.75 63.48 1tk5 n ILE 464 Cb 0.13 -2.28 0.14 0.00 -0.75 0.00 0.00 39.64 36.87 1tk5 n ILE 464 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1tk5 h THR 465 N -0.99 0.00 0.00 1.39 1.35 -1.96 -3.47 112.91 109.23 1tk5 h THR 465 Ca -0.09 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1tk5 h THR 465 Cb 1.07 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1tk5 h THR 465 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1tk5 n GLY 466 N 1.19 0.65 3.80 5.82 0.00 0.35 -4.92 105.19 112.08 1tk5 n GLY 466 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1tk5 n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk5 s LYS 467 N -0.25 4.37 0.55 1.61 -0.14 -1.26 -4.32 119.74 120.30 1tk5 s LYS 467 Ca 0.00 0.95 -0.21 0.00 -1.36 0.00 0.00 55.97 55.35 1tk5 s LYS 467 Cb 0.00 -3.16 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1tk5 s LYS 467 CO 0.00 0.55 1.29 -1.25 -0.76 0.00 0.00 175.35 175.19 1tk5 s PRO 468 N -1.34 3.16 0.74 -1.68 0.04 -1.26 0.07 135.00 134.73 1tk5 s PRO 468 Ca 0.35 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.38 1tk5 s PRO 468 Cb -0.20 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.22 1tk5 s PRO 468 CO 0.23 -1.12 1.07 -1.58 0.04 0.00 0.00 177.00 175.63 1tk5 s TRP 469 N -1.40 2.93 0.21 0.56 0.52 -0.70 -4.83 118.94 116.22 1tk5 s TRP 469 Ca 0.72 0.55 0.10 0.00 0.02 0.00 0.00 56.10 57.49 1tk5 s TRP 469 Cb -0.36 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 1tk5 s TRP 469 CO 0.42 -1.53 -0.11 0.08 0.02 0.00 0.00 176.95 175.83 1tk5 s VAL 470 N -3.36 3.06 -0.07 4.03 1.01 0.25 -2.94 120.40 122.37 1tk5 s VAL 470 Ca 0.61 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1tk5 s VAL 470 Cb -0.11 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1tk5 s VAL 470 CO 0.46 -0.18 -0.08 -1.58 0.00 0.00 0.00 175.10 173.72 1tk5 s GLN 471 N -3.01 2.74 -0.21 2.72 0.74 0.17 0.28 119.66 123.09 1tk5 s GLN 471 Ca 0.26 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1tk5 s GLN 471 Cb -0.08 -2.56 0.03 0.00 1.10 0.00 0.00 33.01 31.50 1tk5 s GLN 471 CO 0.15 0.64 -0.14 0.00 -0.55 0.00 0.00 175.29 175.39 1tk5 s ALA 472 N -0.74 2.50 -0.30 1.58 0.00 -0.12 -1.01 121.76 123.67 1tk5 s ALA 472 Ca 0.11 -1.36 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1tk5 s ALA 472 Cb -0.11 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1tk5 s ALA 472 CO 0.01 -0.61 0.08 0.20 0.00 0.00 0.00 175.76 175.44 1tk5 s GLY 473 N 1.28 1.78 -0.06 0.00 0.00 0.42 -0.83 107.32 109.92 1tk5 s GLY 473 Ca 0.02 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.31 1tk5 s GLY 473 CO -0.09 0.65 -0.21 -0.42 0.00 0.00 0.00 173.10 173.03 1tk5 s ILE 474 N 1.49 2.40 0.04 0.90 1.09 -0.59 -0.82 121.20 125.70 1tk5 s ILE 474 Ca 0.02 -0.95 0.04 0.00 -1.10 0.00 0.00 60.65 58.66 1tk5 s ILE 474 Cb -0.17 -1.90 -0.02 0.00 -1.06 0.00 0.00 42.46 39.30 1tk5 s ILE 474 CO 0.02 0.57 -0.11 -1.81 -0.10 0.00 0.00 174.94 173.51 1tk5 s ASP 475 N -0.26 1.24 0.19 3.58 -0.00 -0.21 -0.99 116.67 120.22 1tk5 s ASP 475 Ca 0.00 -0.49 -0.30 0.00 -0.00 0.00 0.00 52.55 51.76 1tk5 s ASP 475 Cb -0.13 -0.03 -0.08 0.00 -0.00 0.00 0.00 42.92 42.68 1tk5 s ASP 475 CO 0.03 -0.08 1.05 0.00 -0.00 0.00 0.00 175.17 176.16 1tk5 s ALA 476 N -1.08 3.35 -0.16 5.23 0.00 0.42 -1.04 121.76 128.47 1tk5 s ALA 476 Ca -0.04 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.43 1tk5 s ALA 476 Cb -0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1tk5 s ALA 476 CO 0.01 -0.10 0.79 -1.12 0.00 0.00 0.00 175.76 175.34 1tk5 s SER 477 N -0.34 6.93 -1.14 0.00 0.01 -0.61 -4.33 113.70 114.22 1tk5 s SER 477 Ca 0.47 1.14 -0.01 0.00 1.31 0.00 0.00 55.95 58.86 1tk5 s SER 477 Cb -0.28 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1tk5 s SER 477 CO 0.34 -0.35 0.02 0.61 0.41 0.00 0.00 173.24 174.27 1tk5 n GLY 478 N 3.46 -0.10 0.23 3.44 0.00 -1.26 -4.72 105.19 106.24 1tk5 n GLY 478 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1tk5 n GLY 478 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1tk5 h LEU 479 N -1.02 0.42 -0.40 0.99 5.85 -1.95 -2.18 115.31 117.03 1tk5 h LEU 479 Ca -0.48 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1tk5 h LEU 479 Cb 1.02 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1tk5 h LEU 479 CO 0.52 0.27 0.19 -0.33 -0.34 0.00 0.00 178.44 178.76 1tk5 h GLU 480 N 0.56 0.39 -0.16 1.25 3.07 -1.92 0.19 114.58 117.96 1tk5 h GLU 480 Ca 0.27 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 1tk5 h GLU 480 Cb 0.21 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1tk5 h GLU 480 CO -0.20 0.25 -0.36 -0.07 -1.40 0.00 0.00 179.01 177.24 1tk5 h LEU 481 N 0.40 0.34 -0.76 1.33 3.38 -1.89 -1.91 115.31 116.19 1tk5 h LEU 481 Ca 0.17 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1tk5 h LEU 481 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1tk5 h LEU 481 CO -0.12 0.68 -0.52 0.03 0.09 0.00 0.00 178.44 178.60 1tk5 h ARG 482 N 0.28 0.26 -0.42 1.13 3.08 -0.91 -0.95 114.38 116.86 1tk5 h ARG 482 Ca 0.03 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 1tk5 h ARG 482 Cb 0.76 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1tk5 h ARG 482 CO 0.06 0.72 -0.21 0.00 -1.07 0.00 0.00 179.97 179.47 1tk5 h LEU 484 N 0.72 0.52 -1.04 0.00 5.85 -1.01 -2.17 115.31 118.19 1tk5 h LEU 484 Ca 0.10 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1tk5 h LEU 484 Cb 0.73 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1tk5 h LEU 484 CO 0.06 0.61 0.65 0.00 -0.34 0.00 0.00 178.44 179.42 1tk5 h ALA 485 N 0.93 1.33 0.25 1.25 0.00 -0.95 -1.15 119.26 120.91 1tk5 h ALA 485 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1tk5 h ALA 485 Cb 0.29 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1tk5 h ALA 485 CO 0.00 0.60 -0.15 1.25 0.00 0.00 0.00 179.25 180.95 1tk5 h HIS 486 N 1.28 -0.39 0.00 0.00 -0.00 -0.94 -2.24 115.15 112.87 1tk5 h HIS 486 Ca 0.37 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.71 1tk5 h HIS 486 Cb -0.08 0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1tk5 h HIS 486 CO -0.00 -0.23 -0.16 0.74 -0.00 0.00 0.00 177.93 178.28 1tk5 h PHE 487 N -0.38 0.00 -0.00 5.26 0.04 -0.91 -2.52 116.94 118.43 1tk5 h PHE 487 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1tk5 h PHE 487 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1tk5 h PHE 487 CO -0.08 0.16 -0.34 0.00 -0.60 0.00 0.00 178.31 177.44 1tk5 n MET 488 N -3.56 0.42 -0.09 1.51 0.00 -0.48 -4.14 117.12 110.78 1tk5 n MET 488 Ca -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 57.70 57.56 1tk5 n MET 488 Cb 0.30 -1.50 0.47 0.00 0.00 0.00 0.00 33.22 32.50 1tk5 n MET 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tk5 h ALA 489 N 3.34 1.95 0.00 3.17 0.00 -0.94 0.50 119.26 127.28 1tk5 h ALA 489 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tk5 h ALA 489 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tk5 h ALA 489 CO 0.00 -0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.07 1tk5 n ARG 490 N -4.47 0.00 -0.06 0.00 1.85 -1.26 0.31 116.66 113.03 1tk5 n ARG 490 Ca 0.09 0.23 -0.06 0.00 -1.00 0.00 0.00 57.85 57.11 1tk5 n ARG 490 Cb 0.33 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.15 1tk5 n ARG 490 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1tk5 n PHE 491 N -1.51 0.00 0.00 2.89 3.72 0.14 -4.69 117.46 118.02 1tk5 n PHE 491 Ca 0.04 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.46 1tk5 n PHE 491 Cb 0.19 -0.53 0.05 0.00 -0.94 0.00 0.00 39.48 38.24 1tk5 n PHE 491 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tk5 n ASP 492 N -2.51 2.07 -2.37 4.37 5.75 0.60 -4.90 116.55 119.57 1tk5 n ASP 492 Ca -0.19 -1.77 -0.19 0.00 -0.01 0.00 0.00 54.79 52.63 1tk5 n ASP 492 Cb 0.83 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.85 1tk5 n ASP 492 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1tk5 n ASN 493 N -0.02 -5.47 0.00 -1.12 3.02 0.15 -2.10 115.26 109.71 1tk5 n ASN 493 Ca 0.04 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1tk5 n ASN 493 Cb 0.26 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 1tk5 n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tk5 n GLY 494 N -0.94 0.79 0.09 7.41 0.00 -1.23 -4.99 105.19 106.32 1tk5 n GLY 494 Ca -0.22 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1tk5 n GLY 494 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1tk5 h GLU 495 N 2.32 -0.13 -0.72 1.61 4.81 -1.78 0.60 114.58 121.29 1tk5 h GLU 495 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1tk5 h GLU 495 Cb 0.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1tk5 h GLU 495 CO 0.00 -0.03 0.41 -0.92 -0.73 0.00 0.00 179.01 177.74 1tk5 h TYR 496 N -0.20 0.97 -0.50 0.92 3.20 -1.90 -2.01 116.97 117.45 1tk5 h TYR 496 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1tk5 h TYR 496 Cb 0.16 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1tk5 h TYR 496 CO -0.05 0.67 0.28 0.00 -1.64 0.00 0.00 178.16 177.42 1tk5 h ALA 497 N 1.21 0.64 -0.85 1.82 0.00 -1.76 -1.73 119.26 118.59 1tk5 h ALA 497 Ca 0.25 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1tk5 h ALA 497 Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1tk5 h ALA 497 CO -0.04 0.15 0.56 1.25 0.00 0.00 0.00 179.25 181.17 1tk5 h HIS 498 N 0.66 1.04 -0.32 0.00 -0.00 -0.54 -2.39 115.15 113.61 1tk5 h HIS 498 Ca 0.18 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.44 1tk5 h HIS 498 Cb 0.04 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 1tk5 h HIS 498 CO -0.02 0.64 -0.34 1.49 -0.00 0.00 0.00 177.93 179.70 1tk5 h GLU 499 N 1.11 0.72 0.05 5.26 4.57 -0.90 -1.49 114.58 123.90 1tk5 h GLU 499 Ca 0.32 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1tk5 h GLU 499 Cb -0.06 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1tk5 h GLU 499 CO -0.08 0.95 -0.08 0.82 -1.18 0.00 0.00 179.01 179.44 1tk5 h ILE 500 N 0.60 0.82 -0.13 2.32 2.04 -0.80 -3.01 117.51 119.35 1tk5 h ILE 500 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1tk5 h ILE 500 Cb 0.86 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1tk5 h ILE 500 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1tk5 n LEU 501 N -5.19 2.16 -3.42 1.44 -0.00 -1.14 -4.62 117.00 106.22 1tk5 n LEU 501 Ca -0.07 -0.82 -0.22 0.00 -0.00 0.00 0.00 56.01 54.90 1tk5 n LEU 501 Cb 0.12 -0.07 -0.10 0.00 -0.00 0.00 0.00 43.42 43.36 1tk5 n LEU 501 CO 0.31 0.41 -0.23 0.20 -0.00 0.00 0.00 177.39 178.08 1tk5 s ASN 502 N -1.78 2.07 0.00 1.45 -0.87 -0.56 -5.10 114.94 110.15 1tk5 s ASN 502 Ca 0.34 -1.66 0.00 0.00 -1.57 0.00 0.00 52.86 49.98 1tk5 s ASN 502 Cb 0.20 0.14 0.00 0.00 -0.02 0.00 0.00 41.25 41.57 1tk5 s ASN 502 CO 0.30 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.13 1tk5 n GLY 503 N 4.40 -0.07 3.03 0.66 0.00 -1.23 -4.23 105.19 107.75 1tk5 n GLY 503 Ca 0.08 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 1tk5 n GLY 503 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tk5 s ASP 504 N -4.00 3.38 0.15 1.61 2.15 -1.25 -4.82 116.67 113.88 1tk5 s ASP 504 Ca 0.00 -0.85 0.01 0.00 0.43 0.00 0.00 52.55 52.14 1tk5 s ASP 504 Cb 0.00 -1.31 -0.06 0.00 -0.30 0.00 0.00 42.92 41.25 1tk5 s ASP 504 CO 0.00 -0.11 1.34 -0.29 -0.17 0.00 0.00 175.17 175.93 1tk5 h ILE 505 N 6.31 1.49 -0.34 4.11 6.09 -1.85 -2.63 117.51 130.68 1tk5 h ILE 505 Ca -0.32 -2.68 -0.13 0.00 -1.37 0.00 0.00 64.86 60.36 1tk5 h ILE 505 Cb 1.10 2.53 -0.01 0.00 0.47 0.00 0.00 36.82 40.91 1tk5 h ILE 505 CO 0.51 0.78 -0.33 0.45 -3.07 0.00 0.00 178.15 176.50 1tk5 h HIS 506 N 0.12 0.89 0.00 2.19 3.86 -1.95 0.01 115.15 120.27 1tk5 h HIS 506 Ca -0.06 -0.24 -0.14 0.00 -1.16 0.00 0.00 60.37 58.78 1tk5 h HIS 506 Cb 1.58 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 1tk5 h HIS 506 CO 0.04 0.98 -0.66 1.79 0.86 0.00 0.00 177.93 180.94 1tk5 h THR 507 N 0.64 1.37 -0.43 2.45 1.35 -1.90 -0.95 112.91 115.45 1tk5 h THR 507 Ca 0.07 -2.35 -0.11 0.00 -0.55 0.00 0.00 66.41 63.46 1tk5 h THR 507 Cb 0.86 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 1tk5 h THR 507 CO 0.08 0.65 -0.18 0.50 -0.25 0.00 0.00 175.52 176.32 1tk5 h LYS 508 N 0.00 0.82 0.01 4.72 3.64 -1.07 -2.21 116.57 122.49 1tk5 h LYS 508 Ca -0.01 -0.31 -0.20 0.00 -1.27 0.00 0.00 60.65 58.86 1tk5 h LYS 508 Cb 1.25 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1tk5 h LYS 508 CO 0.09 0.94 -0.90 -0.91 -2.27 0.00 0.00 179.45 176.40 1tk5 h ASN 509 N 0.73 0.15 -0.15 4.20 2.35 -0.82 -2.70 115.58 119.33 1tk5 h ASN 509 Ca 0.11 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1tk5 h ASN 509 Cb 0.69 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1tk5 h ASN 509 CO 0.05 0.97 0.02 -0.61 -1.65 0.00 0.00 177.43 176.21 1tk5 h GLN 510 N 0.06 0.08 -0.73 0.81 4.15 -0.87 0.42 115.11 119.03 1tk5 h GLN 510 Ca -0.03 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1tk5 h GLN 510 Cb 1.55 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.19 1tk5 h GLN 510 CO 0.13 0.05 0.19 0.82 -1.93 0.00 0.00 178.83 178.10 1tk5 h ILE 511 N 0.08 1.26 -0.60 2.39 2.04 -1.45 -1.82 117.51 119.42 1tk5 h ILE 511 Ca 0.07 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1tk5 h ILE 511 Cb 0.07 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1tk5 h ILE 511 CO -0.10 0.37 0.33 0.00 0.00 0.00 0.00 178.15 178.75 1tk5 h ALA 512 N 1.11 1.46 -0.89 1.87 0.00 -1.05 -2.99 119.26 118.76 1tk5 h ALA 512 Ca 0.23 -0.09 -0.61 0.00 0.00 0.00 0.00 54.91 54.44 1tk5 h ALA 512 Cb 0.35 -0.24 -0.37 0.00 0.00 0.00 0.00 17.79 17.53 1tk5 h ALA 512 CO -0.00 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 1tk5 n ALA 513 N -2.45 5.61 -3.28 0.00 0.00 0.08 -3.52 120.51 116.96 1tk5 n ALA 513 Ca 0.06 -3.70 -0.07 0.00 0.00 0.00 0.00 53.44 49.73 1tk5 n ALA 513 Cb 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1tk5 n ALA 513 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tk5 n GLU 514 N -0.78 -0.60 -4.14 0.00 -0.58 -1.02 -4.89 120.64 108.62 1tk5 n GLU 514 Ca 0.52 -0.14 -0.30 0.00 -0.42 0.00 0.00 57.16 56.81 1tk5 n GLU 514 Cb 0.81 -0.05 -0.08 0.00 -0.57 0.00 0.00 31.44 31.55 1tk5 n GLU 514 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tk5 s LEU 515 N -4.03 3.48 -0.03 -4.62 1.43 -0.71 -5.06 118.68 109.14 1tk5 s LEU 515 Ca 0.05 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.77 1tk5 s LEU 515 Cb -0.03 -2.19 -0.16 0.00 0.03 0.00 0.00 46.19 43.84 1tk5 s LEU 515 CO 0.18 0.19 1.02 1.55 0.23 0.00 0.00 176.35 179.51 1tk5 h PRO 516 N 3.54 -0.26 -6.21 1.29 0.13 -1.90 -3.46 132.00 125.13 1tk5 h PRO 516 Ca -0.48 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1tk5 h PRO 516 Cb 1.17 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 1tk5 h PRO 516 CO 0.60 0.14 -0.69 0.95 -0.23 0.00 0.00 178.00 178.76 1tk5 s THR 517 N -3.89 3.71 0.35 1.56 -4.23 -1.26 -5.00 115.64 106.88 1tk5 s THR 517 Ca -0.13 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1tk5 s THR 517 Cb 0.01 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.58 1tk5 s THR 517 CO 0.51 0.49 1.93 0.08 -0.54 0.00 0.00 174.62 177.09 1tk5 h ARG 518 N 4.84 0.78 -0.34 3.99 -0.00 -1.93 0.30 114.38 122.03 1tk5 h ARG 518 Ca -0.49 -0.05 0.04 0.00 -0.00 0.00 0.00 59.98 59.49 1tk5 h ARG 518 Cb 1.17 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.97 30.95 1tk5 h ARG 518 CO 0.53 0.51 0.23 -0.44 -0.00 0.00 0.00 179.97 180.81 1tk5 h ASP 519 N 0.80 0.24 0.16 0.08 3.45 -1.94 0.24 116.42 119.44 1tk5 h ASP 519 Ca 0.35 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.73 1tk5 h ASP 519 Cb 0.33 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 1tk5 h ASP 519 CO -0.13 0.16 -0.31 0.78 -1.57 0.00 0.00 179.24 178.18 1tk5 h ASN 520 N 0.28 0.24 0.33 6.45 2.35 -0.78 -1.65 115.58 122.80 1tk5 h ASN 520 Ca 0.15 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1tk5 h ASN 520 Cb 0.23 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1tk5 h ASN 520 CO -0.03 0.54 -0.16 0.00 -1.65 0.00 0.00 177.43 176.13 1tk5 h ALA 521 N 1.48 -0.44 -0.94 -0.83 0.00 -0.28 0.19 119.26 118.44 1tk5 h ALA 521 Ca 0.03 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1tk5 h ALA 521 Cb 0.65 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1tk5 h ALA 521 CO 0.05 -0.64 0.60 1.57 0.00 0.00 0.00 179.25 180.83 1tk5 h LYS 522 N -0.66 0.91 -0.28 0.00 5.09 -1.31 0.19 116.57 120.51 1tk5 h LYS 522 Ca -0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 60.65 60.51 1tk5 h LYS 522 Cb 0.47 -0.21 -0.01 0.00 0.10 0.00 0.00 32.23 32.58 1tk5 h LYS 522 CO 0.07 0.60 -0.35 1.15 -2.09 0.00 0.00 179.45 178.84 1tk5 h THR 523 N 0.94 1.29 -0.13 0.07 2.02 -1.08 -2.91 112.91 113.10 1tk5 h THR 523 Ca 0.44 -1.49 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 1tk5 h THR 523 Cb 0.42 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1tk5 h THR 523 CO -0.20 0.48 -0.21 0.15 0.37 0.00 0.00 175.52 176.11 1tk5 h PHE 524 N 0.53 0.46 0.54 3.16 3.57 0.14 -3.25 116.94 122.08 1tk5 h PHE 524 Ca 0.05 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 1tk5 h PHE 524 Cb 0.85 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.51 1tk5 h PHE 524 CO 0.04 0.82 -0.26 0.97 -2.23 0.00 0.00 178.31 177.65 1tk5 h ILE 525 N -0.04 0.38 0.00 1.41 6.09 -0.75 0.15 117.51 124.74 1tk5 h ILE 525 Ca 0.01 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 1tk5 h ILE 525 Cb 0.78 0.49 0.00 0.00 0.47 0.00 0.00 36.82 38.56 1tk5 h ILE 525 CO 0.05 0.04 0.00 -1.22 -3.07 0.00 0.00 178.15 173.95 1tk5 n TYR 526 N -5.32 0.00 -0.03 2.19 4.01 -1.10 -1.12 117.16 115.78 1tk5 n TYR 526 Ca -0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1tk5 n TYR 526 Cb 0.33 -0.27 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 1tk5 n TYR 526 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tk5 n GLY 527 N -1.15 -0.44 0.17 2.72 0.00 -1.08 -4.33 105.19 101.09 1tk5 n GLY 527 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.87 1tk5 n GLY 527 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1tk5 h PHE 528 N 0.00 0.00 0.00 1.61 3.57 0.88 -2.27 116.94 120.73 1tk5 h PHE 528 Ca -0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1tk5 h PHE 528 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1tk5 h PHE 528 CO 0.00 0.43 0.00 -0.07 -2.23 0.00 0.00 178.31 176.44 1tk5 h LEU 529 N 0.00 0.00 -2.29 0.59 3.38 -1.66 -2.98 115.31 112.35 1tk5 h LEU 529 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tk5 h LEU 529 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tk5 h LEU 529 CO 0.06 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.37 1tk5 n TYR 530 N -2.95 1.07 -1.34 1.13 0.53 -0.88 -4.00 117.16 110.72 1tk5 n TYR 530 Ca 0.03 -0.38 -0.12 0.00 -1.02 0.00 0.00 57.90 56.41 1tk5 n TYR 530 Cb 0.45 -0.28 -0.05 0.00 -1.03 0.00 0.00 39.34 38.42 1tk5 n TYR 530 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1tk5 n GLY 531 N 0.46 1.23 0.00 2.72 0.00 -1.13 -5.01 105.19 103.47 1tk5 n GLY 531 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1tk5 n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 n ALA 532 N 1.22 0.00 -0.65 4.61 0.00 -1.07 -5.02 120.51 119.60 1tk5 n ALA 532 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tk5 n ALA 532 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1tk5 n ALA 532 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1tk5 n ILE 537 N 0.00 0.00 1.44 0.00 -5.35 -1.26 -4.99 119.36 109.20 1tk5 n ILE 537 Ca 0.00 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1tk5 n ILE 537 Cb 0.00 0.00 0.49 0.00 -1.74 0.00 0.00 39.64 38.39 1tk5 n ILE 537 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tk5 n GLY 538 N -0.35 0.08 0.00 3.28 0.00 -1.26 -4.05 105.19 102.89 1tk5 n GLY 538 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1tk5 n GLY 538 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tk5 n GLN 539 N 0.23 0.02 -0.04 1.61 1.13 -1.26 -1.47 117.38 117.61 1tk5 n GLN 539 Ca 0.18 0.20 -0.14 0.00 -1.94 0.00 0.00 57.00 55.30 1tk5 n GLN 539 Cb 0.36 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.12 1tk5 n GLN 539 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1tk5 h ILE 540 N 0.00 1.39 0.07 5.09 5.03 -1.91 -3.36 117.51 123.83 1tk5 h ILE 540 Ca 0.00 -1.54 -0.37 0.00 -0.12 0.00 0.00 64.86 62.83 1tk5 h ILE 540 Cb 0.01 2.14 -0.04 0.00 -3.03 0.00 0.00 36.82 35.90 1tk5 h ILE 540 CO 0.00 0.45 -2.18 1.33 -0.68 0.00 0.00 178.15 177.06 1tk5 n VAL 541 N -4.49 1.66 0.00 1.67 0.24 -0.66 -4.97 118.33 111.78 1tk5 n VAL 541 Ca -0.07 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1tk5 n VAL 541 Cb 0.44 -1.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 1tk5 n VAL 541 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tk5 n GLY 542 N 2.08 0.00 0.00 7.63 0.00 -0.54 -5.13 105.19 109.23 1tk5 n GLY 542 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1tk5 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 n ALA 543 N 0.00 0.00 0.00 4.61 0.00 -1.07 -4.90 120.51 119.15 1tk5 n ALA 543 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1tk5 n ALA 543 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1tk5 n ALA 543 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk5 n GLY 544 N 5.00 4.18 1.83 0.00 0.00 -1.26 -4.04 105.19 110.90 1tk5 n GLY 544 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 1tk5 n GLY 544 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tk5 n LYS 545 N -1.26 -1.54 0.11 1.61 0.00 -1.26 -4.23 118.16 111.58 1tk5 n LYS 545 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1tk5 n LYS 545 Cb 0.00 -3.83 0.00 0.00 -0.00 0.00 0.00 35.03 31.20 1tk5 n LYS 545 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1tk5 n GLU 546 N -0.59 0.00 0.11 -1.58 0.00 -1.26 -4.86 120.64 112.47 1tk5 n GLU 546 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.10 1tk5 n GLU 546 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.65 1tk5 n GLU 546 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1tk5 h ARG 547 N 0.00 0.00 -0.54 3.44 1.12 -1.96 -3.26 114.38 113.18 1tk5 h ARG 547 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.96 1tk5 h ARG 547 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 29.89 1tk5 h ARG 547 CO 0.00 0.77 0.14 0.78 -3.11 0.00 0.00 179.97 178.54 1tk5 h GLY 548 N 2.45 0.70 0.86 2.80 0.00 -1.89 -0.28 103.07 107.71 1tk5 h GLY 548 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1tk5 h GLY 548 CO 0.10 -0.06 0.58 0.07 0.00 0.00 0.00 176.54 177.23 1tk5 h LYS 549 N 0.29 0.97 0.00 4.80 5.09 -1.89 -0.70 116.57 125.13 1tk5 h LYS 549 Ca 0.28 -0.06 -0.10 0.00 0.09 0.00 0.00 60.65 60.86 1tk5 h LYS 549 Cb 0.37 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 32.46 1tk5 h LYS 549 CO -0.33 0.64 -0.47 1.05 -2.09 0.00 0.00 179.45 178.25 1tk5 h GLU 550 N 1.00 0.00 -0.22 0.07 -0.00 -1.23 -2.93 114.58 111.27 1tk5 h GLU 550 Ca 0.38 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.56 1tk5 h GLU 550 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.96 1tk5 h GLU 550 CO -0.14 0.47 -0.60 -0.07 -0.00 0.00 0.00 179.01 178.66 1tk5 h LEU 551 N 0.00 0.81 0.41 3.06 3.38 0.30 -2.63 115.31 120.64 1tk5 h LEU 551 Ca -0.00 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1tk5 h LEU 551 Cb 0.90 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1tk5 h LEU 551 CO 0.06 1.22 -0.20 0.11 0.09 0.00 0.00 178.44 179.73 1tk5 h LYS 552 N 0.54 -0.53 -0.86 1.13 1.57 -1.37 -1.67 116.57 115.37 1tk5 h LYS 552 Ca -0.00 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1tk5 h LYS 552 Cb 1.18 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 1tk5 h LYS 552 CO 0.12 -0.22 0.45 1.57 -0.57 0.00 0.00 179.45 180.81 1tk5 h LYS 553 N -0.90 0.62 -0.58 3.15 -0.00 -1.61 0.72 116.57 117.97 1tk5 h LYS 553 Ca -0.06 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.65 60.45 1tk5 h LYS 553 Cb 0.55 -0.14 -0.02 0.00 -0.00 0.00 0.00 32.23 32.62 1tk5 h LYS 553 CO 0.09 0.41 -0.06 1.57 -0.00 0.00 0.00 179.45 181.46 1tk5 h LYS 554 N 0.64 1.06 0.49 0.07 5.09 -1.46 -0.25 116.57 122.22 1tk5 h LYS 554 Ca 0.47 -0.37 -0.02 0.00 0.09 0.00 0.00 60.65 60.82 1tk5 h LYS 554 Cb 0.67 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.92 1tk5 h LYS 554 CO -0.36 1.07 -0.24 0.35 -2.09 0.00 0.00 179.45 178.18 1tk5 h PHE 555 N 0.96 -0.61 -0.24 0.07 3.57 -0.22 -2.38 116.94 118.09 1tk5 h PHE 555 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1tk5 h PHE 555 Cb 0.63 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1tk5 h PHE 555 CO 0.04 -0.29 0.18 -0.07 -2.23 0.00 0.00 178.31 175.94 1tk5 h LEU 556 N -1.02 0.00 -0.54 0.59 3.38 -0.95 -0.19 115.31 116.59 1tk5 h LEU 556 Ca -0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1tk5 h LEU 556 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1tk5 h LEU 556 CO 0.11 0.00 -0.46 -0.33 0.09 0.00 0.00 178.44 177.85 1tk5 h GLU 557 N 0.00 0.65 -0.33 1.13 5.08 -0.95 -2.99 114.58 117.17 1tk5 h GLU 557 Ca 0.11 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1tk5 h GLU 557 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1tk5 h GLU 557 CO -0.00 0.98 0.00 0.09 -1.00 0.00 0.00 179.01 179.08 1tk5 n ASN 558 N -4.01 2.64 -3.19 1.42 3.02 -0.39 -4.27 115.26 110.49 1tk5 n ASN 558 Ca -0.02 -1.89 -0.20 0.00 -0.03 0.00 0.00 54.58 52.43 1tk5 n ASN 558 Cb 0.56 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1tk5 n ASN 558 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1tk5 n THR 559 N 0.96 -0.19 -0.29 3.41 -1.04 -0.22 -4.95 114.28 111.95 1tk5 n THR 559 Ca 0.18 -4.46 0.24 0.00 -2.04 0.00 0.00 64.05 57.96 1tk5 n THR 559 Cb 0.47 -0.80 0.55 0.00 -1.82 0.00 0.00 70.33 68.73 1tk5 n THR 559 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1tk5 h PRO 560 N 3.30 0.31 -0.72 -2.82 0.13 -1.72 -1.95 132.00 128.53 1tk5 h PRO 560 Ca 0.09 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1tk5 h PRO 560 Cb 0.93 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 1tk5 h PRO 560 CO 0.50 0.21 0.48 0.00 -0.23 0.00 0.00 178.00 178.96 1tk5 h ALA 561 N 1.59 1.48 -0.09 -0.56 0.00 -1.90 -0.53 119.26 119.24 1tk5 h ALA 561 Ca 0.55 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1tk5 h ALA 561 Cb 1.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1tk5 h ALA 561 CO -0.21 0.48 -0.56 0.82 0.00 0.00 0.00 179.25 179.78 1tk5 h ILE 562 N 0.98 1.36 -0.41 0.00 2.04 -1.70 -1.14 117.51 118.64 1tk5 h ILE 562 Ca 0.26 -1.87 -0.12 0.00 1.00 0.00 0.00 64.86 64.14 1tk5 h ILE 562 Cb -0.11 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1tk5 h ILE 562 CO -0.06 0.56 -0.22 0.00 0.00 0.00 0.00 178.15 178.43 1tk5 h ALA 563 N 1.20 0.58 -0.38 1.87 0.00 -1.38 -1.27 119.26 119.88 1tk5 h ALA 563 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1tk5 h ALA 563 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1tk5 h ALA 563 CO 0.09 0.55 0.20 0.00 0.00 0.00 0.00 179.25 180.09 1tk5 h ALA 564 N 0.82 0.48 -0.40 0.00 0.00 -0.93 -0.86 119.26 118.36 1tk5 h ALA 564 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1tk5 h ALA 564 Cb 0.78 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1tk5 h ALA 564 CO 0.06 0.02 0.24 1.25 0.00 0.00 0.00 179.25 180.83 1tk5 h LEU 565 N 0.48 0.40 -0.12 0.00 5.85 -1.07 -0.24 115.31 120.60 1tk5 h LEU 565 Ca 0.13 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1tk5 h LEU 565 Cb 0.08 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1tk5 h LEU 565 CO -0.02 0.28 0.03 0.03 -0.34 0.00 0.00 178.44 178.42 1tk5 h ARG 566 N 0.49 0.08 -0.20 1.25 3.08 -0.95 -1.37 114.38 116.74 1tk5 h ARG 566 Ca 0.16 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1tk5 h ARG 566 Cb -0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1tk5 h ARG 566 CO -0.07 0.05 0.01 0.93 -1.07 0.00 0.00 179.97 179.82 1tk5 h GLU 567 N 0.08 0.07 -0.63 0.04 5.08 -0.83 -1.31 114.58 117.08 1tk5 h GLU 567 Ca 0.05 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1tk5 h GLU 567 Cb 0.04 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1tk5 h GLU 567 CO -0.07 0.05 0.34 0.66 -1.00 0.00 0.00 179.01 178.99 1tk5 h SER 568 N 0.08 0.51 -0.09 1.42 4.64 -0.81 -0.83 113.55 118.46 1tk5 h SER 568 Ca 0.10 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1tk5 h SER 568 Cb 0.11 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1tk5 h SER 568 CO -0.16 0.33 -0.02 0.40 -0.87 0.00 0.00 176.83 176.52 1tk5 h ILE 569 N 0.64 0.92 0.43 0.95 2.04 -0.83 -2.67 117.51 118.99 1tk5 h ILE 569 Ca 0.28 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1tk5 h ILE 569 Cb 0.16 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1tk5 h ILE 569 CO -0.17 0.00 -0.43 1.56 0.00 0.00 0.00 178.15 179.11 1tk5 h GLN 570 N 0.01 -0.84 -0.06 2.37 1.08 -0.69 -1.76 115.11 115.22 1tk5 h GLN 570 Ca 0.04 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1tk5 h GLN 570 Cb 0.06 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1tk5 h GLN 570 CO -0.08 -0.56 0.35 1.96 -0.95 0.00 0.00 178.83 179.54 1tk5 h GLN 571 N -0.87 0.00 0.14 1.46 4.20 -1.14 0.18 115.11 119.08 1tk5 h GLN 571 Ca -0.04 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.36 1tk5 h GLN 571 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1tk5 h GLN 571 CO -0.06 0.00 -1.46 1.15 -0.67 0.00 0.00 178.83 177.78 1tk5 h THR 572 N 0.00 1.25 0.00 -0.54 2.02 -0.98 -3.42 112.91 111.24 1tk5 h THR 572 Ca 0.03 -2.84 -0.45 0.00 0.77 0.00 0.00 66.41 63.92 1tk5 h THR 572 Cb 0.72 2.84 -0.07 0.00 -1.74 0.00 0.00 68.15 69.91 1tk5 h THR 572 CO -0.00 0.84 -2.48 0.18 0.37 0.00 0.00 175.52 174.43 1tk5 n LEU 573 N -3.51 2.05 -4.95 2.58 4.77 0.30 -4.31 117.00 113.93 1tk5 n LEU 573 Ca -0.15 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 55.90 1tk5 n LEU 573 Cb 1.05 -0.84 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1tk5 n LEU 573 CO 0.53 0.60 0.10 -0.69 -1.33 0.00 0.00 177.39 176.60 1tk5 s VAL 574 N -2.50 5.13 0.00 4.08 1.01 0.36 0.65 120.40 129.13 1tk5 s VAL 574 Ca -0.38 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1tk5 s VAL 574 Cb 0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1tk5 s VAL 574 CO 0.51 -0.48 0.00 1.21 0.00 0.00 0.00 175.10 176.34 1tk5 n GLU 575 N -1.67 2.95 0.00 2.72 2.13 -0.94 -4.57 120.64 121.27 1tk5 n GLU 575 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1tk5 n GLU 575 Cb 0.56 -0.34 0.00 0.00 0.27 0.00 0.00 31.44 31.93 1tk5 n GLU 575 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1tk5 n SER 576 N -0.29 0.00 -4.64 4.31 3.41 -1.26 -5.03 113.62 110.13 1tk5 n SER 576 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1tk5 n SER 576 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1tk5 n SER 576 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tk5 s VAL 586 N 0.00 4.43 -0.36 -3.33 1.01 -1.26 -4.72 120.40 116.18 1tk5 s VAL 586 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1tk5 s VAL 586 Cb 0.00 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1tk5 s VAL 586 CO 0.00 0.54 0.21 -0.54 0.00 0.00 0.00 175.10 175.31 1tk5 s LYS 587 N -0.23 3.12 0.39 2.72 1.02 -1.26 -5.08 119.74 120.42 1tk5 s LYS 587 Ca 0.06 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 1tk5 s LYS 587 Cb -0.12 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 1tk5 s LYS 587 CO 0.02 -0.58 0.67 -1.58 -0.92 0.00 0.00 175.35 172.95 1tk5 s TRP 588 N 1.62 3.51 -0.12 3.18 0.52 -1.26 -2.21 118.94 124.18 1tk5 s TRP 588 Ca 0.04 0.70 0.13 0.00 0.02 0.00 0.00 56.10 56.99 1tk5 s TRP 588 Cb -0.18 -2.18 -0.19 0.00 -1.15 0.00 0.00 33.47 29.77 1tk5 s TRP 588 CO 0.08 -0.04 0.10 1.17 0.02 0.00 0.00 176.95 178.28 1tk5 n LYS 589 N -1.64 1.44 -3.54 4.98 4.81 0.21 -4.82 118.16 119.60 1tk5 n LYS 589 Ca -0.01 -0.03 -0.01 0.00 -0.87 0.00 0.00 58.31 57.39 1tk5 n LYS 589 Cb 0.55 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 1tk5 n LYS 589 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1tk5 s ARG 590 N -2.48 0.38 -0.33 1.64 3.52 -1.08 -5.02 118.95 115.57 1tk5 s ARG 590 Ca -0.07 0.79 0.04 0.00 -0.13 0.00 0.00 55.73 56.37 1tk5 s ARG 590 Cb 0.05 0.31 0.55 0.00 -1.56 0.00 0.00 34.95 34.30 1tk5 s ARG 590 CO 0.60 -0.10 1.69 -2.13 -0.81 0.00 0.00 175.30 174.54 1tk5 n ARG 591 N 4.45 2.33 -3.77 5.12 0.63 -1.26 -4.47 116.66 119.69 1tk5 n ARG 591 Ca -0.14 -2.39 -0.10 0.00 -0.92 0.00 0.00 57.85 54.30 1tk5 n ARG 591 Cb 0.55 -1.96 -0.07 0.00 0.45 0.00 0.00 32.46 31.43 1tk5 n ARG 591 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1tk5 s TRP 592 N -2.57 -0.02 0.11 -0.14 1.48 -1.26 -1.18 118.94 115.36 1tk5 s TRP 592 Ca 0.45 -0.28 0.09 0.00 -1.06 0.00 0.00 56.10 55.30 1tk5 s TRP 592 Cb 0.37 0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.71 1tk5 s TRP 592 CO 0.09 -0.56 -0.19 0.42 -4.06 0.00 0.00 176.95 172.65 1tk5 s ILE 593 N -3.33 2.74 -0.24 0.66 -1.09 -0.40 -4.86 121.20 114.68 1tk5 s ILE 593 Ca 0.01 -1.49 -0.27 0.00 -2.23 0.00 0.00 60.65 56.67 1tk5 s ILE 593 Cb 0.02 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 1tk5 s ILE 593 CO -0.08 0.14 0.94 -0.75 -1.23 0.00 0.00 174.94 173.96 1tk5 s LYS 594 N -2.01 4.22 0.95 2.79 2.20 -1.26 -0.35 119.74 126.28 1tk5 s LYS 594 Ca 0.17 1.16 -0.13 0.00 -0.36 0.00 0.00 55.97 56.81 1tk5 s LYS 594 Cb -0.10 -3.65 0.16 0.00 -1.51 0.00 0.00 37.83 32.73 1tk5 s LYS 594 CO 0.09 -0.59 1.14 0.20 -0.36 0.00 0.00 175.35 175.83 1tk5 s GLY 595 N 1.28 1.58 0.52 5.54 0.00 0.97 -4.86 107.32 112.34 1tk5 s GLY 595 Ca 0.40 -0.56 0.21 0.00 0.00 0.00 0.00 44.72 44.77 1tk5 s GLY 595 CO 0.07 0.04 2.04 1.41 0.00 0.00 0.00 173.10 176.66 1tk5 h LEU 596 N -1.66 0.04 -3.31 0.66 3.38 -1.89 0.82 115.31 113.36 1tk5 h LEU 596 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1tk5 h LEU 596 Cb 1.33 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1tk5 h LEU 596 CO 0.58 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 178.24 1tk5 n ASP 597 N -4.43 5.23 0.00 -0.43 5.68 -1.26 -4.93 116.55 116.40 1tk5 n ASP 597 Ca 0.06 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1tk5 n ASP 597 Cb 0.43 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1tk5 n ASP 597 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tk5 n GLY 598 N 0.90 1.99 3.70 6.12 0.00 0.28 -2.95 105.19 115.24 1tk5 n GLY 598 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1tk5 n GLY 598 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tk5 s ARG 599 N -0.42 1.34 0.06 1.61 1.70 -1.26 -4.50 118.95 117.48 1tk5 s ARG 599 Ca 0.00 1.10 -0.24 0.00 -0.47 0.00 0.00 55.73 56.13 1tk5 s ARG 599 Cb 0.00 -1.80 -0.06 0.00 -0.57 0.00 0.00 34.95 32.52 1tk5 s ARG 599 CO 0.00 -2.27 0.72 0.15 -1.08 0.00 0.00 175.30 172.82 1tk5 s LYS 600 N -4.82 4.45 -0.27 3.89 1.02 -1.26 -0.02 119.74 122.73 1tk5 s LYS 600 Ca 0.64 0.99 0.02 0.00 0.02 0.00 0.00 55.97 57.64 1tk5 s LYS 600 Cb -0.19 -3.33 0.07 0.00 -0.52 0.00 0.00 37.83 33.85 1tk5 s LYS 600 CO 0.58 0.38 -0.05 0.08 -0.92 0.00 0.00 175.35 175.41 1tk5 s VAL 601 N -0.35 1.95 0.22 3.17 1.01 0.53 -4.88 120.40 122.05 1tk5 s VAL 601 Ca 0.36 -1.65 -0.32 0.00 0.00 0.00 0.00 61.98 60.37 1tk5 s VAL 601 Cb -0.20 -2.20 -0.13 0.00 0.00 0.00 0.00 36.38 33.85 1tk5 s VAL 601 CO 0.22 -0.19 1.55 1.57 0.00 0.00 0.00 175.10 178.25 1tk5 n HIS 602 N 4.48 2.42 -3.62 5.22 -0.00 -1.26 -1.27 115.22 121.18 1tk5 n HIS 602 Ca -0.09 0.28 -0.39 0.00 0.46 0.00 0.00 57.72 57.98 1tk5 n HIS 602 Cb 0.43 -2.55 -0.11 0.00 -0.12 0.00 0.00 29.99 27.63 1tk5 n HIS 602 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1tk5 s VAL 603 N 0.48 4.68 0.14 3.57 1.01 -0.32 -4.88 120.40 125.08 1tk5 s VAL 603 Ca 0.72 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1tk5 s VAL 603 Cb -0.61 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 1tk5 s VAL 603 CO 0.43 -0.02 1.38 0.03 0.00 0.00 0.00 175.10 176.91 1tk5 h ARG 604 N 8.39 0.63 -3.21 2.72 3.08 -1.93 -3.46 114.38 120.60 1tk5 h ARG 604 Ca -0.30 -0.50 -0.14 0.00 0.07 0.00 0.00 59.98 59.10 1tk5 h ARG 604 Cb 1.14 0.10 -0.22 0.00 0.08 0.00 0.00 29.97 31.06 1tk5 h ARG 604 CO 0.63 1.12 -0.40 0.45 -1.07 0.00 0.00 179.97 180.70 1tk5 s SER 605 N -7.03 -0.16 0.38 7.04 0.15 -1.26 -5.05 113.70 107.77 1tk5 s SER 605 Ca -0.08 0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.82 1tk5 s SER 605 Cb 0.10 0.37 0.81 0.00 -1.71 0.00 0.00 66.02 65.59 1tk5 s SER 605 CO 0.87 -0.27 1.97 -0.65 1.20 0.00 0.00 173.24 176.36 1tk5 h PRO 606 N 4.77 0.64 0.00 5.44 0.11 -2.01 -2.01 132.00 138.95 1tk5 h PRO 606 Ca -0.28 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1tk5 h PRO 606 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1tk5 h PRO 606 CO 0.38 0.43 -0.44 1.12 -0.21 0.00 0.00 178.00 179.28 1tk5 h HIS 607 N 0.66 0.00 -0.36 0.65 2.07 -1.99 -2.99 115.15 113.20 1tk5 h HIS 607 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 1tk5 h HIS 607 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1tk5 h HIS 607 CO -0.00 0.44 0.00 0.00 -3.07 0.00 0.00 177.93 175.30 1tk5 n ALA 608 N -2.33 2.45 -0.20 6.11 0.00 -0.80 -4.49 120.51 121.24 1tk5 n ALA 608 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 1tk5 n ALA 608 Cb 0.54 -0.94 0.09 0.00 0.00 0.00 0.00 19.45 19.14 1tk5 n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk5 h ALA 609 N 4.33 0.77 -0.52 0.00 0.00 -1.28 0.46 119.26 123.01 1tk5 h ALA 609 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1tk5 h ALA 609 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1tk5 h ALA 609 CO 0.00 -0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.39 1tk5 h LEU 610 N 0.47 0.89 -0.78 0.00 5.85 -1.82 -1.11 115.31 118.81 1tk5 h LEU 610 Ca 0.29 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1tk5 h LEU 610 Cb 0.30 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1tk5 h LEU 610 CO -0.26 0.96 0.36 -1.13 -0.34 0.00 0.00 178.44 178.03 1tk5 h ASN 611 N 0.78 1.03 -0.32 1.25 -0.73 -1.56 -0.19 115.58 115.84 1tk5 h ASN 611 Ca 0.15 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 1tk5 h ASN 611 Cb 0.49 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1tk5 h ASN 611 CO 0.02 0.89 0.20 0.74 -0.37 0.00 0.00 177.43 178.91 1tk5 h THR 612 N 1.10 1.10 -0.30 -3.57 2.02 -0.61 0.27 112.91 112.93 1tk5 h THR 612 Ca 0.26 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1tk5 h THR 612 Cb 0.15 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1tk5 h THR 612 CO -0.03 0.10 0.18 0.25 0.37 0.00 0.00 175.52 176.39 1tk5 h LEU 613 N 0.41 0.31 -0.14 2.58 5.85 -0.71 -1.28 115.31 122.33 1tk5 h LEU 613 Ca 0.11 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1tk5 h LEU 613 Cb -0.01 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1tk5 h LEU 613 CO -0.02 0.23 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.15 1tk5 h LEU 614 N 0.38 0.32 -0.99 2.25 3.38 -0.77 -2.19 115.31 117.68 1tk5 h LEU 614 Ca 0.11 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1tk5 h LEU 614 Cb -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1tk5 h LEU 614 CO -0.04 0.67 0.20 -0.61 0.09 0.00 0.00 178.44 178.75 1tk5 h GLN 615 N -0.04 0.93 -0.47 1.13 4.15 -0.45 -1.64 115.11 118.72 1tk5 h GLN 615 Ca 0.03 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.14 1tk5 h GLN 615 Cb 0.56 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1tk5 h GLN 615 CO 0.02 0.79 -0.24 1.03 -1.93 0.00 0.00 178.83 178.51 1tk5 h SER 616 N 0.90 1.02 -0.25 -0.69 0.87 -1.25 -0.69 113.55 113.46 1tk5 h SER 616 Ca 0.20 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1tk5 h SER 616 Cb 0.25 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1tk5 h SER 616 CO -0.01 1.20 0.13 0.00 -0.53 0.00 0.00 176.83 177.62 1tk5 h ALA 617 N 0.85 0.32 -0.62 6.23 0.00 -1.10 -0.37 119.26 124.56 1tk5 h ALA 617 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1tk5 h ALA 617 Cb 0.82 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1tk5 h ALA 617 CO 0.07 -0.15 0.29 0.78 0.00 0.00 0.00 179.25 180.24 1tk5 h GLY 618 N 0.28 0.96 0.98 0.00 0.00 -1.19 -1.10 103.07 102.99 1tk5 h GLY 618 Ca 0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1tk5 h GLY 618 CO -0.01 0.46 0.09 0.00 0.00 0.00 0.00 176.54 177.08 1tk5 h ALA 619 N 1.12 0.19 -0.15 3.60 0.00 -0.85 -0.26 119.26 122.90 1tk5 h ALA 619 Ca 0.21 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1tk5 h ALA 619 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1tk5 h ALA 619 CO -0.02 -0.31 -0.39 -0.07 0.00 0.00 0.00 179.25 178.45 1tk5 h LEU 620 N 0.18 0.35 -0.14 0.00 3.38 -0.96 -0.33 115.31 117.79 1tk5 h LEU 620 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1tk5 h LEU 620 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1tk5 h LEU 620 CO -0.01 0.71 0.03 0.40 0.09 0.00 0.00 178.44 179.66 1tk5 h ILE 621 N 0.28 1.21 -0.03 1.22 2.04 -0.99 -1.59 117.51 119.65 1tk5 h ILE 621 Ca 0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 1tk5 h ILE 621 Cb 0.82 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1tk5 h ILE 621 CO 0.07 0.20 -0.36 0.00 0.00 0.00 0.00 178.15 178.05 1tk5 h LYS 623 N 0.05 0.09 -0.25 0.00 3.64 -0.87 -2.00 116.57 117.23 1tk5 h LYS 623 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1tk5 h LYS 623 Cb 0.66 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1tk5 h LYS 623 CO 0.05 0.43 -0.22 1.25 -2.27 0.00 0.00 179.45 178.69 1tk5 h LEU 624 N -0.26 0.45 -0.03 5.20 6.46 -1.18 -2.77 115.31 123.17 1tk5 h LEU 624 Ca 0.01 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1tk5 h LEU 624 Cb 0.40 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1tk5 h LEU 624 CO 0.00 0.67 0.02 -0.25 -0.62 0.00 0.00 178.44 178.26 1tk5 h TRP 625 N 0.40 0.04 0.00 1.25 7.01 -0.95 0.63 115.95 124.34 1tk5 h TRP 625 Ca 0.07 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.98 1tk5 h TRP 625 Cb 0.61 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1tk5 h TRP 625 CO 0.02 0.03 -0.43 -0.84 -2.79 0.00 0.00 178.44 174.43 1tk5 h ILE 626 N 0.03 1.28 -0.08 2.65 3.07 -1.30 0.46 117.51 123.62 1tk5 h ILE 626 Ca 0.01 -1.49 -0.03 0.00 1.55 0.00 0.00 64.86 64.90 1tk5 h ILE 626 Cb 0.00 1.81 -0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1tk5 h ILE 626 CO -0.00 0.42 -0.06 0.40 -1.05 0.00 0.00 178.15 177.86 1tk5 h ILE 627 N 0.00 1.35 -0.63 0.16 2.04 -1.25 -2.65 117.51 116.53 1tk5 h ILE 627 Ca -0.00 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.62 1tk5 h ILE 627 Cb 0.77 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1tk5 h ILE 627 CO 0.06 0.32 0.05 0.50 0.00 0.00 0.00 178.15 179.08 1tk5 h LYS 628 N -0.21 1.07 -0.35 2.37 1.63 -0.68 -1.98 116.57 118.43 1tk5 h LYS 628 Ca 0.02 -0.32 0.03 0.00 -0.85 0.00 0.00 60.65 59.53 1tk5 h LYS 628 Cb 0.54 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1tk5 h LYS 628 CO 0.02 1.02 0.15 1.15 -3.45 0.00 0.00 179.45 178.33 1tk5 h THR 629 N 0.98 0.93 -0.58 1.00 2.02 -0.92 -0.21 112.91 116.14 1tk5 h THR 629 Ca 0.18 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 1tk5 h THR 629 Cb 0.50 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1tk5 h THR 629 CO 0.02 0.06 -0.06 -0.08 0.37 0.00 0.00 175.52 175.83 1tk5 h GLU 630 N 0.31 1.06 -0.76 6.66 4.81 -1.34 -1.64 114.58 123.67 1tk5 h GLU 630 Ca 0.16 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1tk5 h GLU 630 Cb 0.11 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1tk5 h GLU 630 CO -0.14 1.07 0.36 1.49 -0.73 0.00 0.00 179.01 181.06 1tk5 h GLU 631 N 0.95 1.09 -0.30 1.92 4.81 -0.93 -0.85 114.58 121.27 1tk5 h GLU 631 Ca 0.16 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1tk5 h GLU 631 Cb 0.63 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1tk5 h GLU 631 CO 0.04 0.84 -0.38 0.52 -0.73 0.00 0.00 179.01 179.31 1tk5 h MET 632 N 1.08 0.70 -0.60 1.92 2.86 -0.81 -0.32 114.93 119.76 1tk5 h MET 632 Ca 0.26 -0.35 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1tk5 h MET 632 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1tk5 h MET 632 CO -0.03 0.96 0.10 -0.07 1.06 0.00 0.00 176.91 178.93 1tk5 h LEU 633 N 0.58 0.95 -0.51 1.22 3.38 -0.93 -1.60 115.31 118.40 1tk5 h LEU 633 Ca 0.05 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1tk5 h LEU 633 Cb 0.91 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1tk5 h LEU 633 CO 0.08 0.96 0.01 0.58 0.09 0.00 0.00 178.44 180.17 1tk5 h VAL 634 N 0.89 1.26 0.00 1.22 2.07 -0.98 -1.65 116.25 119.06 1tk5 h VAL 634 Ca 0.18 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1tk5 h VAL 634 Cb 0.42 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1tk5 h VAL 634 CO 0.01 0.38 -0.02 1.05 0.02 0.00 0.00 177.57 179.01 1tk5 h GLU 635 N 0.76 0.00 -0.00 1.57 4.11 -0.78 -0.04 114.58 120.20 1tk5 h GLU 635 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1tk5 h GLU 635 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1tk5 h GLU 635 CO 0.02 0.02 -0.09 1.63 0.07 0.00 0.00 179.01 180.66 1tk5 n LYS 636 N -3.13 0.54 0.00 1.06 5.02 -0.62 -4.91 118.16 116.11 1tk5 n LYS 636 Ca -0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1tk5 n LYS 636 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1tk5 n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tk5 n GLY 637 N 1.30 0.66 3.78 0.72 0.00 -0.03 -5.09 105.19 106.53 1tk5 n GLY 637 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1tk5 n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tk5 s LEU 638 N 0.00 4.43 -0.22 0.99 1.02 -0.67 -5.00 118.68 119.23 1tk5 s LEU 638 Ca 0.00 1.83 -0.10 0.00 0.02 0.00 0.00 54.13 55.88 1tk5 s LEU 638 Cb 0.00 -3.86 -0.05 0.00 0.02 0.00 0.00 46.19 42.30 1tk5 s LEU 638 CO 0.00 0.01 0.13 -0.75 0.02 0.00 0.00 176.35 175.76 1tk5 s LYS 639 N -1.80 4.07 -0.42 1.70 2.20 -1.26 -4.15 119.74 120.08 1tk5 s LYS 639 Ca 0.47 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.53 1tk5 s LYS 639 Cb -0.20 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1tk5 s LYS 639 CO 0.26 0.14 1.01 -1.58 -0.36 0.00 0.00 175.35 174.82 1tk5 s HIS 640 N 0.80 2.96 0.00 4.03 5.65 -1.26 -0.10 115.29 127.37 1tk5 s HIS 640 Ca 0.07 0.70 0.00 0.00 0.25 0.00 0.00 55.06 56.08 1tk5 s HIS 640 Cb -0.13 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.29 1tk5 s HIS 640 CO 0.02 -1.03 0.00 0.41 -0.65 0.00 0.00 174.74 173.49 1tk5 n GLY 641 N 4.61 3.32 0.21 1.59 0.00 0.11 -4.84 105.19 110.20 1tk5 n GLY 641 Ca 0.09 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.94 1tk5 n GLY 641 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1tk5 h TRP 642 N 0.00 0.00 -0.48 1.61 4.06 -1.91 -0.64 115.95 118.59 1tk5 h TRP 642 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1tk5 h TRP 642 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1tk5 h TRP 642 CO 0.00 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 174.48 1tk5 n ASP 643 N -2.73 2.70 0.00 -3.49 5.75 -1.26 -4.67 116.55 112.84 1tk5 n ASP 643 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1tk5 n ASP 643 Cb 0.28 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1tk5 n ASP 643 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tk5 n GLY 644 N 1.31 2.58 0.04 6.12 0.00 -0.25 -5.08 105.19 109.92 1tk5 n GLY 644 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1tk5 n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tk5 n ASP 645 N 0.00 3.11 -3.97 1.61 8.00 0.85 -4.82 116.55 121.34 1tk5 n ASP 645 Ca 0.00 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.38 1tk5 n ASP 645 Cb 0.00 0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 1tk5 n ASP 645 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1tk5 s PHE 646 N -2.20 0.40 -0.20 1.24 -0.71 -1.03 -1.02 117.98 114.47 1tk5 s PHE 646 Ca -0.08 -0.80 -0.06 0.00 -1.04 0.00 0.00 56.93 54.94 1tk5 s PHE 646 Cb 0.03 -0.15 0.09 0.00 -1.21 0.00 0.00 43.02 41.78 1tk5 s PHE 646 CO 0.29 -0.61 0.40 0.00 -1.34 0.00 0.00 175.22 173.96 1tk5 s ALA 647 N -3.94 -1.11 0.16 1.99 0.00 0.78 0.09 121.76 119.72 1tk5 s ALA 647 Ca 0.14 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.19 1tk5 s ALA 647 Cb 0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 1tk5 s ALA 647 CO -0.04 -0.79 1.62 0.71 0.00 0.00 0.00 175.76 177.26 1tk5 s TYR 648 N 2.59 2.91 -0.07 0.00 1.51 -1.26 -0.46 117.35 122.58 1tk5 s TYR 648 Ca -0.00 0.51 0.05 0.00 -1.01 0.00 0.00 57.07 56.61 1tk5 s TYR 648 Cb -0.12 -3.98 -0.08 0.00 -0.11 0.00 0.00 41.96 37.67 1tk5 s TYR 648 CO -0.13 -3.69 -0.00 -1.33 -1.11 0.00 0.00 175.55 169.29 1tk5 n MET 649 N 4.26 2.29 -3.60 -0.62 2.81 -0.50 -4.62 117.12 117.13 1tk5 n MET 649 Ca 0.15 0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.89 1tk5 n MET 649 Cb 0.38 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.65 1tk5 n MET 649 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tk5 s ALA 650 N -2.16 -1.71 -0.23 3.04 0.00 -1.13 -4.43 121.76 115.14 1tk5 s ALA 650 Ca -0.05 1.68 -0.00 0.00 0.00 0.00 0.00 51.96 53.58 1tk5 s ALA 650 Cb 0.02 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.52 1tk5 s ALA 650 CO 0.25 -0.34 -0.01 -0.46 0.00 0.00 0.00 175.76 175.20 1tk5 s TRP 651 N -0.25 2.02 -0.78 0.00 -0.00 -1.26 -1.15 118.94 117.52 1tk5 s TRP 651 Ca -0.04 -1.55 0.01 0.00 -0.00 0.00 0.00 56.10 54.52 1tk5 s TRP 651 Cb -0.03 -1.48 0.19 0.00 -0.00 0.00 0.00 33.47 32.15 1tk5 s TRP 651 CO 0.04 -0.74 0.62 0.08 -0.00 0.00 0.00 176.95 176.95 1tk5 s VAL 652 N 1.52 3.61 0.00 5.86 1.01 0.04 -4.97 120.40 127.47 1tk5 s VAL 652 Ca -0.03 -3.99 0.00 0.00 0.00 0.00 0.00 61.98 57.96 1tk5 s VAL 652 Cb -0.18 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1tk5 s VAL 652 CO -0.08 -1.03 0.00 1.41 0.00 0.00 0.00 175.10 175.40 1tk5 n HIS 653 N 2.25 0.00 -0.48 5.22 8.25 -1.26 -2.55 115.22 126.65 1tk5 n HIS 653 Ca 0.19 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.72 1tk5 n HIS 653 Cb 0.36 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.66 1tk5 n HIS 653 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tk5 n ASP 654 N 0.78 3.25 -3.93 0.41 5.75 -1.26 -4.81 116.55 116.74 1tk5 n ASP 654 Ca 0.00 -2.38 -0.09 0.00 -0.01 0.00 0.00 54.79 52.30 1tk5 n ASP 654 Cb 0.00 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 39.65 1tk5 n ASP 654 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1tk5 s GLU 655 N -1.69 0.56 0.04 0.11 -1.05 -1.06 -0.44 118.70 115.18 1tk5 s GLU 655 Ca 0.30 -0.73 0.04 0.00 -0.15 0.00 0.00 54.97 54.42 1tk5 s GLU 655 Cb 0.20 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1tk5 s GLU 655 CO 0.13 -0.13 -0.11 0.96 0.95 0.00 0.00 175.26 177.05 1tk5 s ILE 656 N -2.46 0.86 -0.16 1.83 -4.36 -0.16 -0.78 121.20 115.97 1tk5 s ILE 656 Ca -0.06 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.36 1tk5 s ILE 656 Cb -0.02 -0.82 0.01 0.00 1.25 0.00 0.00 42.46 42.87 1tk5 s ILE 656 CO -0.04 -0.13 -0.19 -1.10 0.24 0.00 0.00 174.94 173.72 1tk5 s GLN 657 N -1.25 3.09 -0.08 0.37 -1.52 -0.30 -1.55 119.66 118.42 1tk5 s GLN 657 Ca -0.02 -0.81 0.04 0.00 -1.95 0.00 0.00 55.36 52.62 1tk5 s GLN 657 Cb -0.08 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1tk5 s GLN 657 CO 0.01 -0.06 -0.20 0.08 -0.25 0.00 0.00 175.29 174.87 1tk5 s VAL 658 N 0.96 1.74 0.08 1.09 1.01 -0.01 -1.41 120.40 123.87 1tk5 s VAL 658 Ca -0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1tk5 s VAL 658 Cb -0.15 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 1tk5 s VAL 658 CO -0.04 0.49 0.77 -0.83 0.00 0.00 0.00 175.10 175.49 1tk5 s GLY 659 N 0.36 2.83 -0.03 4.51 0.00 0.40 -0.94 107.32 114.45 1tk5 s GLY 659 Ca -0.15 0.30 0.03 0.00 0.00 0.00 0.00 44.72 44.90 1tk5 s GLY 659 CO 0.06 1.02 -0.12 0.00 0.00 0.00 0.00 173.10 174.07 1tk5 h ARG 661 N 6.40 0.16 -4.16 0.00 2.43 -1.36 0.73 114.38 118.57 1tk5 h ARG 661 Ca -0.33 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.69 1tk5 h ARG 661 Cb 1.17 -0.04 -0.14 0.00 -0.42 0.00 0.00 29.97 30.55 1tk5 h ARG 661 CO 0.48 0.10 -0.48 0.95 -1.51 0.00 0.00 179.97 179.51 1tk5 s THR 662 N -5.19 0.08 0.28 0.20 -4.23 -1.26 -4.63 115.64 100.89 1tk5 s THR 662 Ca -0.06 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1tk5 s THR 662 Cb 0.18 -1.96 0.09 0.00 1.34 0.00 0.00 72.50 72.14 1tk5 s THR 662 CO 0.70 -0.37 1.74 -0.33 -0.54 0.00 0.00 174.62 175.82 1tk5 h GLU 663 N 2.70 0.56 -0.25 3.99 5.08 -1.96 -1.82 114.58 122.88 1tk5 h GLU 663 Ca -0.33 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1tk5 h GLU 663 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1tk5 h GLU 663 CO 0.53 0.71 0.14 1.49 -1.00 0.00 0.00 179.01 180.88 1tk5 h GLU 664 N 0.51 0.28 -0.91 2.33 4.81 -1.98 -0.34 114.58 119.27 1tk5 h GLU 664 Ca 0.08 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1tk5 h GLU 664 Cb 0.59 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1tk5 h GLU 664 CO 0.04 0.18 0.51 0.82 -0.73 0.00 0.00 179.01 179.83 1tk5 h ILE 665 N 0.29 1.26 -0.87 2.32 2.04 -1.89 -1.98 117.51 118.68 1tk5 h ILE 665 Ca 0.10 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1tk5 h ILE 665 Cb 0.01 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 1tk5 h ILE 665 CO -0.06 0.29 0.56 0.00 0.00 0.00 0.00 178.15 178.94 1tk5 h ALA 666 N 1.28 1.10 -0.58 1.87 0.00 -0.69 0.63 119.26 122.87 1tk5 h ALA 666 Ca 0.32 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1tk5 h ALA 666 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1tk5 h ALA 666 CO -0.05 0.53 0.09 1.96 0.00 0.00 0.00 179.25 181.77 1tk5 h GLN 667 N 1.18 0.95 -0.52 0.00 1.08 -0.53 -1.58 115.11 115.69 1tk5 h GLN 667 Ca 0.32 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 1tk5 h GLN 667 Cb -0.11 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 1tk5 h GLN 667 CO -0.07 0.88 -0.05 0.28 -0.95 0.00 0.00 178.83 178.93 1tk5 h VAL 668 N 0.89 1.27 -0.56 -0.54 2.07 -0.62 -1.58 116.25 117.18 1tk5 h VAL 668 Ca 0.18 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1tk5 h VAL 668 Cb 0.40 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1tk5 h VAL 668 CO 0.01 0.41 0.27 0.58 0.02 0.00 0.00 177.57 178.86 1tk5 h VAL 669 N 0.82 1.21 -0.39 2.57 2.07 -0.63 0.18 116.25 122.08 1tk5 h VAL 669 Ca 0.14 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1tk5 h VAL 669 Cb 0.59 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1tk5 h VAL 669 CO 0.04 0.23 0.19 0.40 0.02 0.00 0.00 177.57 178.45 1tk5 h ILE 670 N 0.76 1.16 -0.30 4.57 2.04 -1.15 -0.42 117.51 124.18 1tk5 h ILE 670 Ca 0.19 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1tk5 h ILE 670 Cb 0.12 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1tk5 h ILE 670 CO -0.02 0.17 -0.35 -0.33 0.00 0.00 0.00 178.15 177.62 1tk5 h GLU 671 N 0.49 0.67 -0.31 2.37 5.08 -1.08 -2.97 114.58 118.84 1tk5 h GLU 671 Ca 0.13 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.04 1tk5 h GLU 671 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1tk5 h GLU 671 CO -0.02 0.92 -0.33 1.15 -1.00 0.00 0.00 179.01 179.73 1tk5 h THR 672 N 0.57 1.28 -0.17 1.13 2.02 -0.46 -2.62 112.91 114.67 1tk5 h THR 672 Ca 0.06 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.72 1tk5 h THR 672 Cb 0.87 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1tk5 h THR 672 CO 0.08 0.48 -0.12 0.00 0.37 0.00 0.00 175.52 176.32 1tk5 h ALA 673 N 1.06 1.50 -0.21 6.16 0.00 -0.96 0.03 119.26 126.84 1tk5 h ALA 673 Ca 0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1tk5 h ALA 673 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1tk5 h ALA 673 CO 0.07 0.36 -0.27 0.37 0.00 0.00 0.00 179.25 179.78 1tk5 h GLN 674 N 0.25 0.55 -0.71 0.00 5.75 -1.36 -2.10 115.11 117.48 1tk5 h GLN 674 Ca 0.05 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1tk5 h GLN 674 Cb 0.37 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1tk5 h GLN 674 CO 0.02 0.91 0.40 0.93 -2.65 0.00 0.00 178.83 178.44 1tk5 h GLU 675 N 0.22 0.98 -0.67 1.69 5.08 -1.08 -1.92 114.58 118.88 1tk5 h GLU 675 Ca 0.02 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1tk5 h GLU 675 Cb 0.84 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1tk5 h GLU 675 CO 0.06 0.73 0.24 0.00 -1.00 0.00 0.00 179.01 179.04 1tk5 h ALA 676 N 1.20 1.15 -0.44 3.43 0.00 -0.94 -0.74 119.26 122.92 1tk5 h ALA 676 Ca 0.25 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1tk5 h ALA 676 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1tk5 h ALA 676 CO -0.04 0.60 0.03 1.98 0.00 0.00 0.00 179.25 181.82 1tk5 h MET 677 N 0.98 0.76 -0.66 0.00 1.85 -0.95 -0.34 114.93 116.57 1tk5 h MET 677 Ca 0.22 -0.23 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1tk5 h MET 677 Cb 0.24 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.16 1tk5 h MET 677 CO -0.01 0.81 0.21 0.00 -0.40 0.00 0.00 176.91 177.52 1tk5 h ARG 678 N 0.61 1.00 -0.59 0.39 2.47 -1.11 -0.94 114.38 116.21 1tk5 h ARG 678 Ca 0.13 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1tk5 h ARG 678 Cb 0.45 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 1tk5 h ARG 678 CO 0.02 0.85 0.30 2.35 0.56 0.00 0.00 179.97 184.05 1tk5 h TRP 679 N 0.97 0.84 -0.57 3.04 7.01 -0.79 -1.83 115.95 124.62 1tk5 h TRP 679 Ca 0.22 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1tk5 h TRP 679 Cb 0.26 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 1tk5 h TRP 679 CO 0.02 0.63 0.27 0.28 -2.79 0.00 0.00 178.44 176.85 1tk5 h VAL 680 N 0.81 1.21 -0.67 2.65 2.07 -0.46 0.12 116.25 121.97 1tk5 h VAL 680 Ca 0.21 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1tk5 h VAL 680 Cb 0.09 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1tk5 h VAL 680 CO -0.03 0.24 0.37 1.23 0.02 0.00 0.00 177.57 179.40 1tk5 h GLY 681 N 0.77 0.99 1.09 2.17 0.00 -0.90 -2.35 103.07 104.84 1tk5 h GLY 681 Ca 0.20 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 1tk5 h GLY 681 CO -0.02 0.42 -0.19 -1.80 0.00 0.00 0.00 176.54 174.95 1tk5 h ASP 682 N 0.91 0.99 -0.83 0.19 3.58 -1.15 0.86 116.42 120.98 1tk5 h ASP 682 Ca 0.24 -0.39 0.09 0.00 0.42 0.00 0.00 57.03 57.39 1tk5 h ASP 682 Cb 0.03 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 40.73 1tk5 h ASP 682 CO -0.04 1.16 0.48 -0.74 -2.88 0.00 0.00 179.24 177.22 1tk5 h HIS 683 N 0.82 0.87 -0.55 0.28 2.76 -0.37 -1.93 115.15 117.04 1tk5 h HIS 683 Ca 0.11 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 1tk5 h HIS 683 Cb 0.76 -0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.39 1tk5 h HIS 683 CO 0.05 0.37 0.11 0.91 -1.30 0.00 0.00 177.93 178.08 1tk5 n TRP 684 N -4.72 1.89 -4.10 5.26 8.01 -0.92 -4.96 117.44 117.90 1tk5 n TRP 684 Ca 0.13 -1.05 -0.28 0.00 -1.31 0.00 0.00 57.50 55.00 1tk5 n TRP 684 Cb 0.26 -0.54 -0.05 0.00 -2.01 0.00 0.00 31.31 28.97 1tk5 n TRP 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1tk5 n ASN 685 N -0.14 0.07 -4.75 -0.99 3.02 -0.72 -4.87 115.26 106.87 1tk5 n ASN 685 Ca 0.33 -1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1tk5 n ASN 685 Cb 1.20 -2.51 -0.03 0.00 -0.61 0.00 0.00 39.78 37.84 1tk5 n ASN 685 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1tk5 s PHE 686 N -4.09 3.13 -2.07 3.10 5.36 0.25 -4.90 117.98 118.76 1tk5 s PHE 686 Ca 0.03 1.19 0.24 0.00 -0.96 0.00 0.00 56.93 57.43 1tk5 s PHE 686 Cb -0.02 -3.69 1.33 0.00 -0.34 0.00 0.00 43.02 40.30 1tk5 s PHE 686 CO 0.93 -2.16 1.87 0.54 -1.46 0.00 0.00 175.22 174.94 1tk5 n ARG 687 N 2.15 1.14 -4.24 10.12 5.12 -1.26 -4.68 116.66 125.01 1tk5 n ARG 687 Ca 0.05 -0.20 -0.20 0.00 -1.93 0.00 0.00 57.85 55.57 1tk5 n ARG 687 Cb 0.42 -1.39 -0.16 0.00 -1.16 0.00 0.00 32.46 30.17 1tk5 n ARG 687 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1tk5 s LEU 689 N 0.78 4.36 -0.04 0.00 2.96 -1.26 -4.99 118.68 120.49 1tk5 s LEU 689 Ca -0.11 2.86 -0.01 0.00 -0.22 0.00 0.00 54.13 56.65 1tk5 s LEU 689 Cb -0.14 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1tk5 s LEU 689 CO 0.01 -0.84 0.04 -0.76 -1.32 0.00 0.00 176.35 173.48 1tk5 s LEU 690 N -0.61 3.75 0.18 -0.68 1.43 -1.26 -5.05 118.68 116.45 1tk5 s LEU 690 Ca 0.61 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1tk5 s LEU 690 Cb -0.46 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1tk5 s LEU 690 CO 0.48 0.31 0.10 -1.81 0.23 0.00 0.00 176.35 175.66 1tk5 s ASP 691 N -1.40 0.31 0.15 2.29 1.01 -1.26 -4.51 116.67 113.26 1tk5 s ASP 691 Ca 0.19 -1.33 0.01 0.00 0.71 0.00 0.00 52.55 52.12 1tk5 s ASP 691 Cb -0.12 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.10 1tk5 s ASP 691 CO 0.09 -0.79 0.02 0.42 0.21 0.00 0.00 175.17 175.12 1tk5 s THR 692 N -4.08 0.42 -0.02 -1.27 -4.23 -1.26 -1.57 115.64 103.64 1tk5 s THR 692 Ca 0.34 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1tk5 s THR 692 Cb 0.07 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1tk5 s THR 692 CO 0.09 -0.50 -0.03 -0.70 -0.54 0.00 0.00 174.62 172.94 1tk5 s GLU 693 N -3.97 0.43 0.10 3.99 2.12 -0.20 -4.85 118.70 116.31 1tk5 s GLU 693 Ca 0.23 -0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.55 1tk5 s GLU 693 Cb 0.07 -0.48 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 1tk5 s GLU 693 CO 0.02 0.00 -0.18 0.20 -0.54 0.00 0.00 175.26 174.76 1tk5 s GLY 694 N 0.39 1.11 0.01 -1.50 0.00 -1.26 -1.05 107.32 105.02 1tk5 s GLY 694 Ca -0.04 -1.18 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1tk5 s GLY 694 CO -0.01 -1.20 -0.07 0.54 0.00 0.00 0.00 173.10 172.37 1tk5 s LYS 695 N -1.95 0.52 -0.08 2.90 1.02 -0.00 -4.97 119.74 117.17 1tk5 s LYS 695 Ca 0.04 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 1tk5 s LYS 695 Cb -0.09 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.73 1tk5 s LYS 695 CO 0.04 0.12 -0.04 1.41 -0.92 0.00 0.00 175.35 175.95 1tk5 s MET 696 N -0.51 2.91 0.05 1.68 -2.45 -1.26 -0.44 119.30 119.29 1tk5 s MET 696 Ca -0.00 -0.50 -0.19 0.00 -1.25 0.00 0.00 55.69 53.75 1tk5 s MET 696 Cb -0.04 -2.69 0.06 0.00 1.25 0.00 0.00 34.83 33.41 1tk5 s MET 696 CO -0.00 0.64 0.86 0.41 1.05 0.00 0.00 175.02 177.98 1tk5 n GLY 697 N 2.31 0.53 0.13 2.11 0.00 -0.18 -4.87 105.19 105.23 1tk5 n GLY 697 Ca -0.18 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 44.84 1tk5 n GLY 697 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tk5 h PRO 698 N 0.00 0.00 -3.81 1.61 0.13 -1.91 0.49 132.00 128.51 1tk5 h PRO 698 Ca -0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 1tk5 h PRO 698 Cb 0.88 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 1tk5 h PRO 698 CO 0.25 0.31 -0.05 0.54 -0.23 0.00 0.00 178.00 178.82 1tk5 s ASN 699 N -6.07 0.71 0.45 1.44 2.20 -1.26 -1.01 114.94 111.40 1tk5 s ASN 699 Ca 0.02 -1.42 0.18 0.00 -0.94 0.00 0.00 52.86 50.70 1tk5 s ASN 699 Cb 0.08 0.73 1.06 0.00 -2.00 0.00 0.00 41.25 41.12 1tk5 s ASN 699 CO 0.76 -1.43 1.97 -0.25 -2.94 0.00 0.00 177.10 175.21 1tk5 h TRP 700 N 2.06 0.00 -0.30 1.54 2.91 -1.01 -1.50 115.95 119.65 1tk5 h TRP 700 Ca -0.29 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.71 1tk5 h TRP 700 Cb 1.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.88 1tk5 h TRP 700 CO 1.53 0.21 0.12 0.00 -1.03 0.00 0.00 178.44 179.27 1tk5 h ALA 701 N 1.79 0.38 -0.03 2.65 0.00 -1.80 -3.13 119.26 119.13 1tk5 h ALA 701 Ca -0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1tk5 h ALA 701 Cb 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1tk5 h ALA 701 CO 0.03 -0.02 -0.87 0.82 0.00 0.00 0.00 179.25 179.20 1tk5 h ILE 702 N 0.33 1.39 -0.38 0.00 1.08 -1.85 -3.30 117.51 114.78 1tk5 h ILE 702 Ca 0.10 -2.35 -0.25 0.00 -0.39 0.00 0.00 64.86 61.97 1tk5 h ILE 702 Cb 0.17 2.31 -0.11 0.00 -3.07 0.00 0.00 36.82 36.13 1tk5 h ILE 702 CO -0.01 0.70 0.33 0.00 -0.69 0.00 0.00 178.15 178.48