#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk6 h ARG 8 N 0.00 0.89 -3.43 0.00 3.08 -2.09 -3.46 114.38 109.37 1tk6 h ARG 8 Ca 0.00 -0.53 -0.12 0.00 0.07 0.00 0.00 59.98 59.40 1tk6 h ARG 8 Cb 0.00 0.05 -0.19 0.00 0.08 0.00 0.00 29.97 29.91 1tk6 h ARG 8 CO 0.00 1.17 -0.39 0.00 -1.07 0.00 0.00 179.97 179.68 1tk6 s ALA 9 N -4.21 -0.45 -0.11 0.04 0.00 -1.26 -5.15 121.76 110.63 1tk6 s ALA 9 Ca -0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1tk6 s ALA 9 Cb 0.10 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1tk6 s ALA 9 CO 0.88 -0.30 -0.03 0.99 0.00 0.00 0.00 175.76 177.31 1tk6 s THR 10 N -1.98 4.03 0.09 0.00 2.01 -1.26 -5.03 115.64 113.50 1tk6 s THR 10 Ca -0.10 -0.34 -0.35 0.00 0.31 0.00 0.00 61.69 61.21 1tk6 s THR 10 Cb -0.04 -2.71 -0.15 0.00 0.01 0.00 0.00 72.50 69.62 1tk6 s THR 10 CO -0.01 0.56 1.54 0.00 -0.69 0.00 0.00 174.62 176.03 1tk6 n ALA 11 N 2.67 0.55 0.00 7.40 0.00 -1.26 -0.78 120.51 129.09 1tk6 n ALA 11 Ca -0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1tk6 n ALA 11 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1tk6 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tk6 n GLY 12 N 3.28 3.11 3.80 0.00 0.00 -1.26 -5.04 105.19 109.08 1tk6 n GLY 12 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1tk6 n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk6 s GLU 13 N -0.32 4.15 -0.08 1.61 2.02 0.04 -4.98 118.70 121.15 1tk6 s GLU 13 Ca 0.00 1.34 -0.00 0.00 0.02 0.00 0.00 54.97 56.32 1tk6 s GLU 13 Cb 0.00 -2.36 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1tk6 s GLU 13 CO 0.00 -0.12 -0.04 0.08 0.02 0.00 0.00 175.26 175.20 1tk6 s VAL 14 N -1.88 0.68 -1.73 2.63 1.01 -1.25 -3.86 120.40 116.01 1tk6 s VAL 14 Ca 0.60 -0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.66 1tk6 s VAL 14 Cb -0.16 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.49 1tk6 s VAL 14 CO 0.21 0.30 0.93 -1.84 0.00 0.00 0.00 175.10 174.70 1tk6 n GLU 15 N 4.85 1.59 -0.11 2.72 0.28 -0.22 -4.84 120.64 124.90 1tk6 n GLU 15 Ca -0.12 -1.02 0.02 0.00 -0.16 0.00 0.00 57.16 55.88 1tk6 n GLU 15 Cb 0.50 -1.32 -0.00 0.00 1.43 0.00 0.00 31.44 32.05 1tk6 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tk6 n GLY 16 N 1.15 -1.60 2.87 -1.84 0.00 -0.90 -4.22 105.19 100.63 1tk6 n GLY 16 Ca 0.08 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1tk6 n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tk6 s SER 17 N -4.09 0.55 0.05 1.61 0.15 -0.54 -3.74 113.70 107.70 1tk6 s SER 17 Ca 0.00 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 1tk6 s SER 17 Cb 0.00 -0.23 -0.26 0.00 -1.71 0.00 0.00 66.02 63.82 1tk6 s SER 17 CO 0.00 -0.05 1.05 0.44 1.20 0.00 0.00 173.24 175.88 1tk6 h ASP 18 N 6.92 0.29 -0.58 5.45 3.32 -1.90 -0.95 116.42 128.96 1tk6 h ASP 18 Ca -0.38 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 56.40 1tk6 h ASP 18 Cb 1.15 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 1tk6 h ASP 18 CO 0.48 1.28 0.25 0.00 -1.72 0.00 0.00 179.24 179.53 1tk6 h ALA 19 N 0.68 0.75 -0.48 3.45 0.00 -1.96 -2.53 119.26 119.16 1tk6 h ALA 19 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tk6 h ALA 19 Cb 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1tk6 h ALA 19 CO 0.17 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1tk6 n LEU 20 N -4.94 2.65 -4.01 0.00 4.77 -1.24 -4.93 117.00 109.29 1tk6 n LEU 20 Ca 0.07 -1.32 -0.27 0.00 -0.03 0.00 0.00 56.01 54.46 1tk6 n LEU 20 Cb 0.22 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1tk6 n LEU 20 CO 0.25 0.64 -0.27 0.54 -1.33 0.00 0.00 177.39 177.22 1tk6 n ARG 21 N 0.90 -2.75 -3.96 3.23 5.12 -0.96 -4.93 116.66 113.31 1tk6 n ARG 21 Ca 0.16 0.34 -0.30 0.00 -1.93 0.00 0.00 57.85 56.12 1tk6 n ARG 21 Cb 0.43 -4.31 -0.16 0.00 -1.16 0.00 0.00 32.46 27.26 1tk6 n ARG 21 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1tk6 s MET 22 N -6.70 1.76 0.75 5.56 1.75 -0.39 -5.00 119.30 117.03 1tk6 s MET 22 Ca 0.02 -0.92 -0.14 0.00 -1.25 0.00 0.00 55.69 53.40 1tk6 s MET 22 Cb -0.01 -2.51 0.05 0.00 2.84 0.00 0.00 34.83 35.21 1tk6 s MET 22 CO 0.91 -0.53 1.17 0.16 -0.65 0.00 0.00 175.02 176.07 1tk6 s ASP 23 N 1.40 4.18 0.47 1.11 -4.77 -1.26 -1.46 116.67 116.34 1tk6 s ASP 23 Ca -0.04 2.21 0.13 0.00 -3.30 0.00 0.00 52.55 51.55 1tk6 s ASP 23 Cb -0.18 -2.57 1.09 0.00 -1.09 0.00 0.00 42.92 40.17 1tk6 s ASP 23 CO -0.07 -2.26 2.09 0.00 0.70 0.00 0.00 175.17 175.63 1tk6 h ALA 24 N -0.58 1.85 0.26 2.11 0.00 -1.89 -0.93 119.26 120.08 1tk6 h ALA 24 Ca -0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1tk6 h ALA 24 Cb 1.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1tk6 h ALA 24 CO 0.49 0.13 -0.32 0.22 0.00 0.00 0.00 179.25 179.77 1tk6 h ASP 25 N 0.18 -0.90 -0.37 0.00 1.82 -1.91 0.13 116.42 115.37 1tk6 h ASP 25 Ca 0.05 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1tk6 h ASP 25 Cb 0.04 0.30 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1tk6 h ASP 25 CO -0.01 -0.40 0.24 0.03 -1.61 0.00 0.00 179.24 177.49 1tk6 h ARG 26 N -0.60 0.47 -0.22 0.28 3.08 -1.89 -3.11 114.38 112.39 1tk6 h ARG 26 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1tk6 h ARG 26 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1tk6 h ARG 26 CO -0.07 0.31 0.13 0.00 -1.07 0.00 0.00 179.97 179.27 1tk6 h ALA 27 N 1.15 0.29 -0.93 0.04 0.00 -1.08 -2.51 119.26 116.22 1tk6 h ALA 27 Ca 0.14 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1tk6 h ALA 27 Cb -0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 1tk6 h ALA 27 CO -0.04 -0.19 0.60 1.49 0.00 0.00 0.00 179.25 181.10 1tk6 h GLU 28 N 0.26 0.79 -0.33 0.00 4.81 -0.67 0.41 114.58 119.85 1tk6 h GLU 28 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1tk6 h GLU 28 Cb 0.05 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1tk6 h GLU 28 CO -0.01 0.52 0.17 1.96 -0.73 0.00 0.00 179.01 180.92 1tk6 h GLN 29 N 0.81 0.47 -0.54 1.92 4.20 -1.40 0.80 115.11 121.37 1tk6 h GLN 29 Ca 0.47 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 59.01 1tk6 h GLN 29 Cb 0.63 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1tk6 h GLN 29 CO -0.23 0.42 -0.06 0.00 -0.67 0.00 0.00 178.83 178.29 1tk6 h VAL 31 N 0.87 0.93 -0.72 0.00 2.07 -0.06 0.28 116.25 119.61 1tk6 h VAL 31 Ca 0.15 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1tk6 h VAL 31 Cb 0.62 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1tk6 h VAL 31 CO 0.04 0.03 0.46 0.44 0.02 0.00 0.00 177.57 178.56 1tk6 h ASP 32 N 0.16 0.78 -0.42 0.57 3.32 -0.78 0.08 116.42 120.12 1tk6 h ASP 32 Ca 0.10 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1tk6 h ASP 32 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1tk6 h ASP 32 CO -0.11 0.55 0.08 0.00 -1.72 0.00 0.00 179.24 178.04 1tk6 h ALA 33 N 1.29 0.56 -0.48 3.45 0.00 -1.10 -2.56 119.26 120.42 1tk6 h ALA 33 Ca 0.28 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1tk6 h ALA 33 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1tk6 h ALA 33 CO -0.09 0.27 -0.10 -0.07 0.00 0.00 0.00 179.25 179.26 1tk6 h LEU 34 N 0.55 0.92 -1.17 0.00 3.38 -0.60 -1.91 115.31 116.49 1tk6 h LEU 34 Ca 0.13 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1tk6 h LEU 34 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1tk6 h LEU 34 CO 0.01 1.06 -0.01 0.78 0.09 0.00 0.00 178.44 180.36 1tk6 h ASN 35 N 0.77 0.53 -0.47 -0.43 2.35 -0.89 0.23 115.58 117.67 1tk6 h ASN 35 Ca 0.12 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1tk6 h ASN 35 Cb 0.64 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1tk6 h ASN 35 CO 0.04 0.61 -0.07 0.00 -1.65 0.00 0.00 177.43 176.36 1tk6 h ALA 36 N 1.46 0.64 -0.53 -0.83 0.00 -1.06 -2.29 119.26 116.64 1tk6 h ALA 36 Ca 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1tk6 h ALA 36 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1tk6 h ALA 36 CO 0.01 0.50 0.14 -0.44 0.00 0.00 0.00 179.25 179.47 1tk6 h ASP 37 N 0.72 0.79 -0.65 0.00 3.32 -0.96 -2.61 116.42 117.03 1tk6 h ASP 37 Ca 0.12 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1tk6 h ASP 37 Cb 0.60 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1tk6 h ASP 37 CO 0.04 0.81 0.37 0.25 -1.72 0.00 0.00 179.24 178.98 1tk6 h LEU 38 N 0.74 0.56 -0.40 1.55 5.85 -0.28 -0.90 115.31 122.42 1tk6 h LEU 38 Ca 0.17 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1tk6 h LEU 38 Cb 0.32 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1tk6 h LEU 38 CO -0.00 0.37 -0.20 0.00 -0.34 0.00 0.00 178.44 178.28 1tk6 h ALA 39 N 1.32 0.56 -0.64 1.25 0.00 -1.17 -1.15 119.26 119.43 1tk6 h ALA 39 Ca 0.28 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1tk6 h ALA 39 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1tk6 h ALA 39 CO -0.16 0.52 0.40 -0.91 0.00 0.00 0.00 179.25 179.10 1tk6 h ASN 40 N 0.65 0.66 0.81 0.00 2.35 -1.10 -2.07 115.58 116.88 1tk6 h ASN 40 Ca 0.09 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1tk6 h ASN 40 Cb 0.75 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1tk6 h ASN 40 CO 0.06 0.47 -0.57 0.58 -1.65 0.00 0.00 177.43 176.31 1tk6 h VAL 41 N 0.80 1.24 0.00 2.81 2.07 -0.92 0.48 116.25 122.72 1tk6 h VAL 41 Ca 0.25 -2.08 -0.20 0.00 0.82 0.00 0.00 66.70 65.50 1tk6 h VAL 41 Cb 0.00 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1tk6 h VAL 41 CO -0.10 0.56 -1.05 1.88 0.02 0.00 0.00 177.57 178.89 1tk6 h TYR 42 N 0.00 0.00 -0.58 1.57 0.99 -1.05 -0.23 116.97 117.68 1tk6 h TYR 42 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 1tk6 h TYR 42 Cb 1.13 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.84 1tk6 h TYR 42 CO 0.00 0.86 0.04 -0.39 -0.00 0.00 0.00 178.16 178.67 1tk6 h VAL 43 N 0.00 1.25 -0.32 -2.88 -1.51 -1.10 -2.25 116.25 109.45 1tk6 h VAL 43 Ca -0.07 -1.04 0.06 0.00 -1.23 0.00 0.00 66.70 64.42 1tk6 h VAL 43 Cb 1.72 0.77 -0.05 0.00 -2.13 0.00 0.00 31.29 31.59 1tk6 h VAL 43 CO 0.10 0.38 -0.02 0.25 -1.23 0.00 0.00 177.57 177.05 1tk6 h LEU 44 N 0.90 -0.16 -0.57 4.19 5.85 -0.63 -0.83 115.31 124.05 1tk6 h LEU 44 Ca 0.17 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.06 1tk6 h LEU 44 Cb 0.47 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1tk6 h LEU 44 CO 0.02 -0.05 0.18 0.22 -0.34 0.00 0.00 178.44 178.47 1tk6 h TYR 45 N 0.07 0.31 -0.10 1.25 3.20 -0.91 0.38 116.97 121.17 1tk6 h TYR 45 Ca 0.15 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.88 1tk6 h TYR 45 Cb 0.21 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1tk6 h TYR 45 CO -0.25 0.06 -0.67 0.45 -1.64 0.00 0.00 178.16 176.11 1tk6 h HIS 46 N 0.34 0.56 -0.17 -3.82 3.86 -0.77 -0.71 115.15 114.45 1tk6 h HIS 46 Ca 0.28 -0.23 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 1tk6 h HIS 46 Cb 0.36 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1tk6 h HIS 46 CO -0.19 0.97 -0.67 0.37 0.86 0.00 0.00 177.93 179.27 1tk6 h GLN 47 N 0.30 0.67 -0.60 2.45 4.15 -0.57 -2.06 115.11 119.46 1tk6 h GLN 47 Ca -0.02 -0.49 -0.05 0.00 0.77 0.00 0.00 58.65 58.86 1tk6 h GLN 47 Cb 1.23 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.98 1tk6 h GLN 47 CO 0.12 1.11 0.15 -0.07 -1.93 0.00 0.00 178.83 178.21 1tk6 h LEU 48 N 0.48 0.86 -0.43 -2.39 3.38 -0.06 -1.83 115.31 115.32 1tk6 h LEU 48 Ca -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1tk6 h LEU 48 Cb 1.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1tk6 h LEU 48 CO 0.13 0.84 0.19 0.11 0.09 0.00 0.00 178.44 179.80 1tk6 h LYS 49 N 0.89 0.63 -0.45 1.13 1.79 -1.01 -0.94 116.57 118.60 1tk6 h LYS 49 Ca 0.19 -0.10 0.09 0.00 -2.18 0.00 0.00 60.65 58.65 1tk6 h LYS 49 Cb 0.31 -0.11 -0.10 0.00 -1.58 0.00 0.00 32.23 30.75 1tk6 h LYS 49 CO -0.00 0.56 -0.23 -0.22 -1.08 0.00 0.00 179.45 178.48 1tk6 h LYS 50 N 0.55 -0.13 -0.35 3.15 3.64 -1.14 0.18 116.57 122.47 1tk6 h LYS 50 Ca 0.15 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 1tk6 h LYS 50 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1tk6 h LYS 50 CO -0.02 -0.09 -0.25 0.45 -2.27 0.00 0.00 179.45 177.28 1tk6 h HIS 51 N -0.14 0.79 -0.38 1.91 3.86 -1.18 -1.02 115.15 118.99 1tk6 h HIS 51 Ca 0.21 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 1tk6 h HIS 51 Cb 0.47 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1tk6 h HIS 51 CO -0.49 0.88 0.00 1.25 0.86 0.00 0.00 177.93 180.43 1tk6 h HIS 52 N 0.61 0.73 -0.31 2.45 -0.00 -0.85 0.39 115.15 118.17 1tk6 h HIS 52 Ca 0.08 -0.13 -0.06 0.00 -0.00 0.00 0.00 60.37 60.27 1tk6 h HIS 52 Cb 0.74 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.94 1tk6 h HIS 52 CO 0.03 0.76 -0.05 -1.49 -0.00 0.00 0.00 177.93 177.18 1tk6 h TRP 53 N 0.49 0.51 -0.00 5.26 6.55 -0.21 -3.34 115.95 125.21 1tk6 h TRP 53 Ca 0.11 -0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1tk6 h TRP 53 Cb 0.46 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1tk6 h TRP 53 CO 0.04 0.54 -0.61 0.09 -1.05 0.00 0.00 178.44 177.45 1tk6 n ASN 54 N -4.26 0.86 -4.77 -3.49 3.02 -0.42 -5.00 115.26 101.19 1tk6 n ASN 54 Ca 0.01 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 1tk6 n ASN 54 Cb 0.27 0.89 -0.01 0.00 -0.61 0.00 0.00 39.78 40.33 1tk6 n ASN 54 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1tk6 s VAL 55 N -2.25 2.30 0.12 2.41 0.11 0.10 -4.98 120.40 118.21 1tk6 s VAL 55 Ca 0.07 0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.38 1tk6 s VAL 55 Cb 0.11 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 1tk6 s VAL 55 CO 0.55 0.07 0.11 -1.61 -3.33 0.00 0.00 175.10 170.89 1tk6 s GLU 56 N -2.04 0.93 0.00 1.54 2.02 -1.26 -4.91 118.70 114.99 1tk6 s GLU 56 Ca 0.52 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1tk6 s GLU 56 Cb -0.44 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1tk6 s GLU 56 CO 0.59 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1tk6 n GLY 57 N -0.09 -0.81 0.19 -1.39 0.00 -1.26 -4.59 105.19 97.24 1tk6 n GLY 57 Ca -0.08 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 43.83 1tk6 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk6 h ALA 58 N 0.00 1.16 -0.35 4.61 0.00 -2.06 -1.47 119.26 121.15 1tk6 h ALA 58 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1tk6 h ALA 58 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tk6 h ALA 58 CO 0.00 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1tk6 n GLU 59 N -3.78 3.26 0.13 0.00 4.71 -1.26 -4.79 120.64 118.91 1tk6 n GLU 59 Ca -0.01 -2.76 0.01 0.00 -0.01 0.00 0.00 57.16 54.38 1tk6 n GLU 59 Cb 0.46 -1.81 0.31 0.00 -1.01 0.00 0.00 31.44 29.38 1tk6 n GLU 59 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1tk6 h PHE 60 N 2.34 0.18 -0.07 -0.32 -5.15 -1.51 -2.65 116.94 109.76 1tk6 h PHE 60 Ca 0.00 -0.04 -0.20 0.00 -0.20 0.00 0.00 57.97 57.53 1tk6 h PHE 60 Cb 1.40 -0.04 0.01 0.00 0.22 0.00 0.00 35.95 37.54 1tk6 h PHE 60 CO 0.56 0.47 -0.74 -0.09 -2.00 0.00 0.00 178.31 176.51 1tk6 h ARG 61 N 0.14 0.62 -0.74 6.09 2.43 -1.86 0.25 114.38 121.31 1tk6 h ARG 61 Ca 0.02 -0.58 -0.02 0.00 -0.81 0.00 0.00 59.98 58.60 1tk6 h ARG 61 Cb 0.64 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 1tk6 h ARG 61 CO 0.05 1.19 0.40 0.22 -1.51 0.00 0.00 179.97 180.32 1tk6 h ASP 62 N 0.26 0.94 0.02 -3.80 1.82 -1.91 -1.16 116.42 112.58 1tk6 h ASP 62 Ca -0.07 -0.10 -0.15 0.00 -0.39 0.00 0.00 57.03 56.32 1tk6 h ASP 62 Cb 1.39 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1tk6 h ASP 62 CO 0.15 0.77 -0.49 -0.07 -1.61 0.00 0.00 179.24 177.99 1tk6 h LEU 63 N 1.03 0.59 -0.86 2.28 3.38 -1.28 -1.72 115.31 118.74 1tk6 h LEU 63 Ca 0.26 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1tk6 h LEU 63 Cb 0.05 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1tk6 h LEU 63 CO -0.04 0.99 0.56 -0.74 0.09 0.00 0.00 178.44 179.30 1tk6 h HIS 64 N 0.43 1.06 -0.26 1.13 2.76 0.12 0.48 115.15 120.87 1tk6 h HIS 64 Ca 0.02 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 1tk6 h HIS 64 Cb 1.02 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 1tk6 h HIS 64 CO 0.04 0.64 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.95 1tk6 h LEU 65 N 1.12 0.70 -0.61 0.26 3.38 -1.15 -1.21 115.31 117.80 1tk6 h LEU 65 Ca 0.33 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1tk6 h LEU 65 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1tk6 h LEU 65 CO -0.09 1.04 0.00 0.15 0.09 0.00 0.00 178.44 179.64 1tk6 h PHE 66 N 0.37 1.16 -0.10 1.13 3.57 -0.80 -2.32 116.94 119.95 1tk6 h PHE 66 Ca 0.04 -0.20 -0.14 0.00 3.53 0.00 0.00 57.97 61.20 1tk6 h PHE 66 Cb 0.86 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1tk6 h PHE 66 CO 0.08 1.02 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.55 1tk6 h LEU 67 N 0.97 0.34 -0.29 0.59 3.38 -0.83 0.58 115.31 120.05 1tk6 h LEU 67 Ca 0.17 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1tk6 h LEU 67 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1tk6 h LEU 67 CO 0.03 0.82 0.06 1.23 0.09 0.00 0.00 178.44 180.68 1tk6 h GLY 68 N 1.34 0.51 1.00 0.83 0.00 -1.12 0.14 103.07 105.77 1tk6 h GLY 68 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1tk6 h GLY 68 CO 0.09 0.30 0.21 0.83 0.00 0.00 0.00 176.54 177.97 1tk6 h GLU 69 N 0.30 0.43 -0.94 4.80 5.08 -1.25 -0.24 114.58 122.77 1tk6 h GLU 69 Ca 0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1tk6 h GLU 69 Cb 0.31 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1tk6 h GLU 69 CO 0.00 0.30 0.62 0.00 -1.00 0.00 0.00 179.01 178.93 1tk6 h ALA 70 N 1.11 1.34 -0.60 3.43 0.00 -0.65 -0.67 119.26 123.21 1tk6 h ALA 70 Ca 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1tk6 h ALA 70 Cb -0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1tk6 h ALA 70 CO -0.02 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.15 1tk6 h ALA 71 N 1.42 0.78 -0.96 0.00 0.00 -0.37 -0.87 119.26 119.26 1tk6 h ALA 71 Ca 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1tk6 h ALA 71 Cb -0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 1tk6 h ALA 71 CO -0.08 0.31 0.64 1.49 0.00 0.00 0.00 179.25 181.61 1tk6 h GLU 72 N 0.82 1.26 -0.43 0.00 4.81 -0.29 -1.09 114.58 119.66 1tk6 h GLU 72 Ca 0.21 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1tk6 h GLU 72 Cb 0.08 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1tk6 h GLU 72 CO -0.03 0.83 -0.28 1.15 -0.73 0.00 0.00 179.01 179.95 1tk6 h THR 73 N 1.30 1.27 -0.66 0.32 2.02 -0.89 -1.94 112.91 114.33 1tk6 h THR 73 Ca 0.35 -1.45 0.03 0.00 0.77 0.00 0.00 66.41 66.11 1tk6 h THR 73 Cb -0.14 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1tk6 h THR 73 CO -0.08 0.49 0.41 0.00 0.37 0.00 0.00 175.52 176.72 1tk6 h ALA 74 N 0.87 0.86 -0.64 6.16 0.00 -0.92 0.18 119.26 125.77 1tk6 h ALA 74 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1tk6 h ALA 74 Cb 0.86 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1tk6 h ALA 74 CO 0.08 0.18 0.18 1.49 0.00 0.00 0.00 179.25 181.18 1tk6 h GLU 75 N 0.82 0.98 -0.48 0.00 4.81 -0.86 0.76 114.58 120.62 1tk6 h GLU 75 Ca 0.26 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1tk6 h GLU 75 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1tk6 h GLU 75 CO -0.10 0.86 -0.00 0.93 -0.73 0.00 0.00 179.01 179.96 1tk6 h GLU 76 N 0.95 0.85 0.05 1.92 5.08 -1.10 0.32 114.58 122.65 1tk6 h GLU 76 Ca 0.21 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tk6 h GLU 76 Cb 0.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1tk6 h GLU 76 CO -0.00 0.89 -0.06 0.28 -1.00 0.00 0.00 179.01 179.12 1tk6 h VAL 77 N 0.70 0.85 -0.58 3.13 2.07 -0.57 -1.43 116.25 120.42 1tk6 h VAL 77 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1tk6 h VAL 77 Cb 0.52 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1tk6 h VAL 77 CO 0.03 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.75 1tk6 h ALA 78 N 0.81 0.68 -0.20 1.67 0.00 -0.64 -1.37 119.26 120.22 1tk6 h ALA 78 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1tk6 h ALA 78 Cb 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1tk6 h ALA 78 CO -0.03 -0.29 0.11 0.22 0.00 0.00 0.00 179.25 179.26 1tk6 h ASP 79 N 0.27 0.17 -0.83 0.00 3.58 -0.76 0.24 116.42 119.09 1tk6 h ASP 79 Ca 0.30 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 1tk6 h ASP 79 Cb 0.42 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1tk6 h ASP 79 CO -0.37 0.13 0.39 -0.33 -2.88 0.00 0.00 179.24 176.18 1tk6 h GLU 80 N 0.23 1.21 -0.36 0.28 4.39 -0.26 -1.83 114.58 118.24 1tk6 h GLU 80 Ca 0.08 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1tk6 h GLU 80 Cb 0.00 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1tk6 h GLU 80 CO -0.04 0.93 0.24 -0.07 -1.16 0.00 0.00 179.01 178.90 1tk6 h LEU 81 N 1.19 0.42 -0.24 1.33 4.07 -0.62 -1.71 115.31 119.76 1tk6 h LEU 81 Ca 0.29 -0.02 -0.14 0.00 0.08 0.00 0.00 57.88 58.08 1tk6 h LEU 81 Cb 0.13 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1tk6 h LEU 81 CO -0.03 0.31 -0.41 0.00 -1.08 0.00 0.00 178.44 177.23 1tk6 h ALA 82 N 1.12 0.38 -0.86 1.53 0.00 -0.75 -0.76 119.26 119.92 1tk6 h ALA 82 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1tk6 h ALA 82 Cb -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1tk6 h ALA 82 CO -0.03 0.49 0.56 0.93 0.00 0.00 0.00 179.25 181.20 1tk6 h GLU 83 N 0.44 1.06 -0.26 0.00 5.08 -1.35 -0.81 114.58 118.74 1tk6 h GLU 83 Ca 0.02 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1tk6 h GLU 83 Cb 1.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1tk6 h GLU 83 CO 0.09 0.70 -0.48 -0.09 -1.00 0.00 0.00 179.01 178.23 1tk6 h ARG 84 N 1.09 0.70 -0.58 2.33 9.65 -1.11 0.23 114.38 126.69 1tk6 h ARG 84 Ca 0.34 -0.40 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1tk6 h ARG 84 Cb -0.01 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.55 1tk6 h ARG 84 CO -0.11 1.02 0.33 0.28 2.80 0.00 0.00 179.97 184.29 1tk6 h VAL 85 N 0.55 1.01 -0.37 0.20 2.07 -0.90 -0.76 116.25 118.05 1tk6 h VAL 85 Ca 0.03 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1tk6 h VAL 85 Cb 1.04 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1tk6 h VAL 85 CO 0.10 0.11 -0.37 -0.61 0.02 0.00 0.00 177.57 176.82 1tk6 h GLN 86 N 0.63 0.88 -0.43 1.57 -0.00 -0.81 -1.05 115.11 115.91 1tk6 h GLN 86 Ca 0.24 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.65 58.40 1tk6 h GLN 86 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 1tk6 h GLN 86 CO -0.14 1.10 0.09 0.00 0.00 0.00 0.00 178.83 179.89 1tk6 h ALA 87 N 0.84 1.36 0.00 3.38 0.00 -0.04 -0.76 119.26 124.04 1tk6 h ALA 87 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tk6 h ALA 87 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tk6 h ALA 87 CO 0.09 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1tk6 n LEU 88 N -4.30 0.00 0.00 0.00 4.77 -0.34 -4.58 117.00 112.55 1tk6 n LEU 88 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1tk6 n LEU 88 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1tk6 n LEU 88 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1tk6 n GLY 89 N 0.39 0.65 3.17 -0.72 0.00 -0.29 -2.13 105.19 106.27 1tk6 n GLY 89 Ca 0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1tk6 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tk6 n GLY 90 N -2.59 2.60 3.07 -0.02 0.00 -0.42 -1.06 105.19 106.77 1tk6 n GLY 90 Ca 0.00 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 1tk6 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tk6 s VAL 91 N -2.20 2.08 0.43 1.61 1.01 -1.25 -3.98 120.40 118.11 1tk6 s VAL 91 Ca 0.32 -1.43 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 1tk6 s VAL 91 Cb -0.03 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1tk6 s VAL 91 CO 0.20 0.10 1.18 -2.16 0.00 0.00 0.00 175.10 174.42 1tk6 s PRO 92 N 1.17 3.88 0.14 2.72 0.04 -1.26 -4.65 135.00 137.05 1tk6 s PRO 92 Ca -0.05 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 1tk6 s PRO 92 Cb -0.18 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1tk6 s PRO 92 CO -0.07 -0.46 1.48 -1.01 0.04 0.00 0.00 177.00 176.98 1tk6 s HIS 93 N -1.46 3.15 0.00 0.56 3.76 -1.26 -4.90 115.29 115.14 1tk6 s HIS 93 Ca 0.60 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 1tk6 s HIS 93 Cb -0.30 -3.81 0.00 0.00 1.11 0.00 0.00 32.58 29.58 1tk6 s HIS 93 CO 0.38 -2.91 0.00 0.00 -0.85 0.00 0.00 174.74 171.35 1tk6 n ALA 94 N 3.92 2.93 -1.74 -1.40 0.00 -1.26 -4.89 120.51 118.07 1tk6 n ALA 94 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 1tk6 n ALA 94 Cb 0.40 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1tk6 n ALA 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1tk6 s SER 95 N -4.92 6.07 0.19 0.00 1.04 -1.26 -4.80 113.70 110.02 1tk6 s SER 95 Ca 0.00 1.65 -0.11 0.00 0.48 0.00 0.00 55.95 57.98 1tk6 s SER 95 Cb 0.00 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.72 1tk6 s SER 95 CO 0.00 -0.97 1.78 -0.65 0.98 0.00 0.00 173.24 174.38 1tk6 h PRO 96 N 0.35 0.98 -0.29 4.02 0.11 -1.99 0.41 132.00 135.58 1tk6 h PRO 96 Ca -0.46 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 65.42 1tk6 h PRO 96 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1tk6 h PRO 96 CO 0.59 0.78 -0.16 1.05 -0.21 0.00 0.00 178.00 180.06 1tk6 h GLU 97 N 0.95 0.51 -0.50 1.05 4.11 -1.99 -1.71 114.58 117.00 1tk6 h GLU 97 Ca 0.23 -0.16 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 1tk6 h GLU 97 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1tk6 h GLU 97 CO -0.03 0.66 0.26 1.15 0.07 0.00 0.00 179.01 181.12 1tk6 h THR 98 N 0.47 1.18 -0.31 -1.06 2.02 -1.83 -1.18 112.91 112.20 1tk6 h THR 98 Ca 0.08 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1tk6 h THR 98 Cb 0.55 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1tk6 h THR 98 CO 0.04 0.19 0.18 -0.07 0.37 0.00 0.00 175.52 176.23 1tk6 h LEU 99 N 0.66 0.29 -0.60 2.58 3.38 -0.30 -1.73 115.31 119.58 1tk6 h LEU 99 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1tk6 h LEU 99 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1tk6 h LEU 99 CO -0.03 0.21 -0.54 -0.61 0.09 0.00 0.00 178.44 177.56 1tk6 h GLN 100 N 0.36 0.45 -0.77 1.13 4.15 -1.28 -1.86 115.11 117.29 1tk6 h GLN 100 Ca 0.12 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 1tk6 h GLN 100 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1tk6 h GLN 100 CO -0.06 0.88 0.29 0.00 -1.93 0.00 0.00 178.83 178.00 1tk6 h ALA 101 N 1.07 1.00 0.00 3.38 0.00 -0.74 -2.62 119.26 121.36 1tk6 h ALA 101 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1tk6 h ALA 101 Cb 1.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tk6 h ALA 101 CO 0.10 0.65 -0.32 0.93 0.00 0.00 0.00 179.25 180.60 1tk6 h GLU 102 N 1.13 0.00 -7.02 0.00 4.39 -1.27 -3.45 114.58 108.36 1tk6 h GLU 102 Ca 0.25 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.46 1tk6 h GLU 102 Cb 0.25 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1tk6 h GLU 102 CO -0.02 0.00 0.45 0.00 -1.16 0.00 0.00 179.01 178.28 1tk6 s ALA 103 N -3.15 2.93 -0.92 3.43 0.00 -0.71 -4.78 121.76 118.57 1tk6 s ALA 103 Ca 0.08 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.08 1tk6 s ALA 103 Cb 0.12 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.72 1tk6 s ALA 103 CO 0.67 -0.54 0.91 -1.13 0.00 0.00 0.00 175.76 175.66 1tk6 n SER 104 N -0.60 0.88 -4.88 0.00 3.41 -1.26 -4.97 113.62 106.20 1tk6 n SER 104 Ca 0.08 -0.85 -0.30 0.00 -0.26 0.00 0.00 58.87 57.54 1tk6 n SER 104 Cb 0.49 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1tk6 n SER 104 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1tk6 s VAL 105 N -3.04 4.76 0.08 -3.33 -7.23 -1.26 -5.03 120.40 105.35 1tk6 s VAL 105 Ca 0.07 0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 60.72 1tk6 s VAL 105 Cb 0.16 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1tk6 s VAL 105 CO 0.86 -1.04 0.69 -1.81 -0.31 0.00 0.00 175.10 173.48 1tk6 s ASP 106 N -4.10 7.18 0.04 4.85 1.01 -1.26 -5.08 116.67 119.32 1tk6 s ASP 106 Ca 0.53 1.40 0.09 0.00 0.71 0.00 0.00 52.55 55.29 1tk6 s ASP 106 Cb -0.11 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1tk6 s ASP 106 CO 0.50 0.16 -0.26 0.68 0.21 0.00 0.00 175.17 176.46 1tk6 s VAL 107 N -0.67 2.15 0.62 -1.27 -7.23 -1.26 -4.90 120.40 107.84 1tk6 s VAL 107 Ca 0.34 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 1tk6 s VAL 107 Cb -0.21 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1tk6 s VAL 107 CO 0.22 0.38 1.12 -1.61 -0.31 0.00 0.00 175.10 174.91 1tk6 s GLU 108 N -1.19 2.98 0.66 4.82 2.02 -1.26 -5.02 118.70 121.71 1tk6 s GLU 108 Ca 0.12 1.50 -0.11 0.00 0.02 0.00 0.00 54.97 56.49 1tk6 s GLU 108 Cb -0.10 -1.97 0.16 0.00 0.10 0.00 0.00 34.13 32.33 1tk6 s GLU 108 CO 0.02 -1.12 0.60 -0.40 0.02 0.00 0.00 175.26 174.37 1tk6 n ASP 109 N -2.00 -1.53 -0.01 -0.19 5.75 -1.26 -4.91 116.55 112.40 1tk6 n ASP 109 Ca 0.11 -0.88 0.15 0.00 -0.01 0.00 0.00 54.79 54.16 1tk6 n ASP 109 Cb 0.51 -0.54 0.71 0.00 -1.03 0.00 0.00 41.12 40.77 1tk6 n ASP 109 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1tk6 n GLU 110 N -3.28 0.38 -1.60 0.11 -0.58 -1.26 -4.78 120.64 109.63 1tk6 n GLU 110 Ca 0.08 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 1tk6 n GLU 110 Cb 0.32 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.74 1tk6 n GLU 110 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1tk6 s ASP 111 N -2.64 5.27 -0.21 1.62 1.01 -1.26 -5.02 116.67 115.44 1tk6 s ASP 111 Ca 0.26 1.52 -0.09 0.00 0.71 0.00 0.00 52.55 54.95 1tk6 s ASP 111 Cb 0.20 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1tk6 s ASP 111 CO 0.48 -1.50 0.10 -0.69 0.21 0.00 0.00 175.17 173.78 1tk6 s VAL 112 N -3.09 5.00 0.35 -1.27 1.01 -1.26 -5.07 120.40 116.06 1tk6 s VAL 112 Ca 0.58 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.69 1tk6 s VAL 112 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1tk6 s VAL 112 CO 0.55 0.40 0.31 -0.31 0.00 0.00 0.00 175.10 176.05 1tk6 s TYR 113 N 0.76 2.88 0.91 5.22 1.51 -1.26 -5.11 117.35 122.25 1tk6 s TYR 113 Ca 0.05 -0.33 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1tk6 s TYR 113 Cb -0.13 -1.85 0.14 0.00 -0.11 0.00 0.00 41.96 40.01 1tk6 s TYR 113 CO 0.02 0.14 1.12 0.16 -1.11 0.00 0.00 175.55 175.87 1tk6 s ASP 114 N -4.02 3.07 0.21 2.29 3.84 -1.26 -4.66 116.67 116.15 1tk6 s ASP 114 Ca 0.42 1.99 -0.09 0.00 -0.00 0.00 0.00 52.55 54.87 1tk6 s ASP 114 Cb -0.05 -2.50 0.16 0.00 -1.38 0.00 0.00 42.92 39.15 1tk6 s ASP 114 CO 0.27 -2.97 1.83 -0.29 -0.00 0.00 0.00 175.17 174.00 1tk6 h ILE 115 N -1.78 1.24 -0.80 2.11 6.09 -1.98 -0.85 117.51 121.54 1tk6 h ILE 115 Ca -0.46 -0.61 -0.02 0.00 -1.37 0.00 0.00 64.86 62.41 1tk6 h ILE 115 Cb 1.27 0.19 -0.04 0.00 0.47 0.00 0.00 36.82 38.71 1tk6 h ILE 115 CO 0.45 0.27 0.41 0.03 -3.07 0.00 0.00 178.15 176.25 1tk6 h ARG 116 N 1.10 1.13 -0.21 2.19 3.08 -1.99 0.40 114.38 120.09 1tk6 h ARG 116 Ca 0.28 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1tk6 h ARG 116 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1tk6 h ARG 116 CO -0.04 0.86 -0.01 1.15 -1.07 0.00 0.00 179.97 180.85 1tk6 h THR 117 N 1.12 1.26 -0.31 2.04 2.02 -1.81 -1.68 112.91 115.56 1tk6 h THR 117 Ca 0.28 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1tk6 h THR 117 Cb 0.07 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1tk6 h THR 117 CO -0.04 0.28 0.18 0.28 0.37 0.00 0.00 175.52 176.59 1tk6 h SER 118 N 0.13 0.38 -0.43 4.18 0.02 -0.87 -1.05 113.55 115.91 1tk6 h SER 118 Ca 0.06 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1tk6 h SER 118 Cb 0.42 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1tk6 h SER 118 CO 0.01 0.34 0.02 -0.07 -1.14 0.00 0.00 176.83 176.00 1tk6 h LEU 119 N 0.39 0.79 -0.66 5.07 3.38 -0.85 -1.34 115.31 122.09 1tk6 h LEU 119 Ca 0.11 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1tk6 h LEU 119 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1tk6 h LEU 119 CO -0.02 0.84 -0.23 0.00 0.09 0.00 0.00 178.44 179.12 1tk6 h ALA 120 N 1.25 0.84 -0.64 1.53 0.00 -0.81 0.52 119.26 121.95 1tk6 h ALA 120 Ca 0.15 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1tk6 h ALA 120 Cb 0.43 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1tk6 h ALA 120 CO 0.02 0.64 0.35 -0.91 0.00 0.00 0.00 179.25 179.34 1tk6 h ASN 121 N 0.70 0.51 -0.44 0.00 2.35 -0.76 -2.22 115.58 115.72 1tk6 h ASN 121 Ca 0.10 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1tk6 h ASN 121 Cb 0.75 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1tk6 h ASN 121 CO 0.06 0.33 0.14 0.44 -1.65 0.00 0.00 177.43 176.76 1tk6 h ASP 122 N 0.65 0.64 -0.57 5.81 3.32 -0.15 -2.74 116.42 123.38 1tk6 h ASP 122 Ca 0.29 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1tk6 h ASP 122 Cb 0.18 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.50 1tk6 h ASP 122 CO -0.18 0.67 0.21 -0.03 -1.72 0.00 0.00 179.24 178.19 1tk6 h MET 123 N 0.58 0.38 -0.66 3.56 4.05 -0.64 -1.05 114.93 121.16 1tk6 h MET 123 Ca 0.14 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1tk6 h MET 123 Cb 0.26 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1tk6 h MET 123 CO -0.01 0.25 0.43 0.00 0.23 0.00 0.00 176.91 177.82 1tk6 h ALA 124 N 1.38 0.85 0.16 0.39 0.00 -1.24 -1.37 119.26 119.42 1tk6 h ALA 124 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1tk6 h ALA 124 Cb 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1tk6 h ALA 124 CO -0.28 0.23 -0.08 0.82 0.00 0.00 0.00 179.25 179.95 1tk6 h ILE 125 N 0.86 0.85 -0.57 0.00 2.04 -0.97 -2.40 117.51 117.31 1tk6 h ILE 125 Ca 0.25 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.21 1tk6 h ILE 125 Cb -0.06 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 1tk6 h ILE 125 CO -0.07 0.00 0.14 1.88 0.00 0.00 0.00 178.15 180.10 1tk6 h TYR 126 N -0.21 0.22 -0.52 1.37 -1.99 -1.07 -0.66 116.97 114.12 1tk6 h TYR 126 Ca -0.02 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1tk6 h TYR 126 Cb 0.16 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1tk6 h TYR 126 CO -0.07 -0.00 0.17 0.78 -0.00 0.00 0.00 178.16 179.04 1tk6 h GLY 127 N 0.28 0.86 1.01 3.88 0.00 -1.09 0.77 103.07 108.77 1tk6 h GLY 127 Ca 0.30 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1tk6 h GLY 127 CO -0.36 0.47 0.36 -0.55 0.00 0.00 0.00 176.54 176.45 1tk6 h ASP 128 N 0.70 0.89 -0.47 0.19 3.32 -0.85 -1.49 116.42 118.71 1tk6 h ASP 128 Ca 0.17 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1tk6 h ASP 128 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1tk6 h ASP 128 CO -0.01 0.75 0.10 0.40 -1.72 0.00 0.00 179.24 178.77 1tk6 h ILE 129 N 0.96 1.23 -0.50 0.35 2.04 -0.39 -2.31 117.51 118.90 1tk6 h ILE 129 Ca 0.24 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1tk6 h ILE 129 Cb 0.08 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1tk6 h ILE 129 CO -0.03 0.32 0.17 0.40 0.00 0.00 0.00 178.15 179.00 1tk6 h ILE 130 N 0.79 1.22 -0.34 -0.67 2.04 0.13 -0.89 117.51 119.80 1tk6 h ILE 130 Ca 0.17 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 1tk6 h ILE 130 Cb 0.33 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1tk6 h ILE 130 CO 0.00 0.27 -0.15 -0.33 0.00 0.00 0.00 178.15 177.94 1tk6 h GLU 131 N 0.67 0.70 -0.46 2.37 5.08 -1.26 -1.13 114.58 120.55 1tk6 h GLU 131 Ca 0.16 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1tk6 h GLU 131 Cb 0.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1tk6 h GLU 131 CO -0.01 0.90 0.28 0.00 -1.00 0.00 0.00 179.01 179.18 1tk6 h ALA 132 N 0.78 0.59 -0.61 3.43 0.00 -1.26 -2.41 119.26 119.78 1tk6 h ALA 132 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1tk6 h ALA 132 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1tk6 h ALA 132 CO 0.05 0.08 0.21 1.15 0.00 0.00 0.00 179.25 180.73 1tk6 h THR 133 N 0.62 1.23 -0.60 0.00 2.02 -0.96 0.67 112.91 115.88 1tk6 h THR 133 Ca 0.17 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1tk6 h THR 133 Cb -0.01 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1tk6 h THR 133 CO -0.03 0.30 0.33 0.03 0.37 0.00 0.00 175.52 176.51 1tk6 h ARG 134 N 0.89 0.84 -0.11 6.66 3.08 -0.99 0.76 114.38 125.51 1tk6 h ARG 134 Ca 0.20 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1tk6 h ARG 134 Cb 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1tk6 h ARG 134 CO -0.01 0.64 0.02 0.93 -1.07 0.00 0.00 179.97 180.47 1tk6 h GLU 135 N 0.81 0.19 -0.05 0.04 5.08 -0.79 -2.96 114.58 116.89 1tk6 h GLU 135 Ca 0.21 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1tk6 h GLU 135 Cb 0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1tk6 h GLU 135 CO -0.03 0.40 -0.14 0.45 -1.00 0.00 0.00 179.01 178.68 1tk6 h HIS 136 N -0.05 0.08 -0.38 4.33 3.86 -0.60 -1.48 115.15 120.91 1tk6 h HIS 136 Ca 0.03 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1tk6 h HIS 136 Cb 0.30 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 1tk6 h HIS 136 CO 0.02 0.22 -0.10 1.79 0.86 0.00 0.00 177.93 180.72 1tk6 h THR 137 N 0.08 1.24 -0.43 2.45 1.35 -0.69 -1.23 112.91 115.67 1tk6 h THR 137 Ca 0.02 -1.08 -0.10 0.00 -0.55 0.00 0.00 66.41 64.69 1tk6 h THR 137 Cb 0.30 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1tk6 h THR 137 CO 0.02 0.36 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.20 1tk6 h GLU 138 N 0.60 0.84 0.16 4.72 5.08 -1.27 -0.42 114.58 124.28 1tk6 h GLU 138 Ca 0.11 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1tk6 h GLU 138 Cb 0.53 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1tk6 h GLU 138 CO 0.03 0.96 -0.21 1.25 -1.00 0.00 0.00 179.01 180.04 1tk6 h LEU 139 N 0.66 -0.59 -0.42 1.33 5.85 -1.11 0.77 115.31 121.81 1tk6 h LEU 139 Ca 0.11 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1tk6 h LEU 139 Cb 0.66 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 1tk6 h LEU 139 CO 0.05 -0.31 -0.07 0.00 -0.34 0.00 0.00 178.44 177.77 1tk6 h ALA 140 N 0.33 0.32 -0.50 1.25 0.00 -1.13 0.23 119.26 119.76 1tk6 h ALA 140 Ca 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1tk6 h ALA 140 Cb 0.43 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1tk6 h ALA 140 CO -0.09 -0.43 0.13 0.93 0.00 0.00 0.00 179.25 179.80 1tk6 h GLU 141 N 0.04 0.75 0.00 0.00 4.39 -0.55 0.24 114.58 119.44 1tk6 h GLU 141 Ca 0.20 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1tk6 h GLU 141 Cb 0.31 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1tk6 h GLU 141 CO -0.40 0.67 -0.40 -0.91 -1.16 0.00 0.00 179.01 176.81 1tk6 h ASN 142 N 0.73 0.00 -0.02 1.42 -0.26 -0.09 0.20 115.58 117.57 1tk6 h ASN 142 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1tk6 h ASN 142 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1tk6 h ASN 142 CO -0.00 0.40 0.00 0.18 -1.06 0.00 0.00 177.43 176.94 1tk6 n LEU 143 N -3.37 0.23 -0.23 1.61 4.77 -0.00 -4.90 117.00 115.11 1tk6 n LEU 143 Ca 0.01 -0.09 -0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1tk6 n LEU 143 Cb 0.59 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1tk6 n LEU 143 CO 0.38 0.05 -0.03 0.61 -1.33 0.00 0.00 177.39 177.06 1tk6 n GLY 144 N 0.88 0.57 3.47 -0.72 0.00 0.71 -4.93 105.19 105.18 1tk6 n GLY 144 Ca 0.16 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1tk6 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tk6 s ASP 145 N -2.35 6.96 0.22 1.61 3.68 0.01 -4.83 116.67 121.97 1tk6 s ASP 145 Ca 0.00 -2.74 0.11 0.00 2.13 0.00 0.00 52.55 52.05 1tk6 s ASP 145 Cb 0.00 -2.41 0.03 0.00 -1.45 0.00 0.00 42.92 39.09 1tk6 s ASP 145 CO 0.00 -0.85 1.42 0.45 0.13 0.00 0.00 175.17 176.32 1tk6 h HIS 146 N 7.57 0.00 -0.59 -5.34 3.86 -1.91 -2.27 115.15 116.48 1tk6 h HIS 146 Ca 0.29 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 1tk6 h HIS 146 Cb 0.91 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1tk6 h HIS 146 CO 1.14 0.73 0.01 0.00 0.86 0.00 0.00 177.93 180.66 1tk6 h ALA 147 N 1.27 0.90 -0.03 2.45 0.00 -1.95 -1.39 119.26 120.50 1tk6 h ALA 147 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1tk6 h ALA 147 Cb 1.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1tk6 h ALA 147 CO 0.09 0.65 -0.02 1.15 0.00 0.00 0.00 179.25 181.13 1tk6 h THR 148 N 0.94 1.34 -0.59 0.00 2.02 -1.93 -1.46 112.91 113.23 1tk6 h THR 148 Ca 0.17 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.37 1tk6 h THR 148 Cb 0.53 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 1tk6 h THR 148 CO 0.03 0.28 0.30 0.00 0.37 0.00 0.00 175.52 176.50 1tk6 h ALA 149 N 0.59 0.77 -0.53 6.16 0.00 -1.38 0.58 119.26 125.46 1tk6 h ALA 149 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1tk6 h ALA 149 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1tk6 h ALA 149 CO 0.01 -0.05 0.24 1.25 0.00 0.00 0.00 179.25 180.69 1tk6 h HIS 150 N 0.56 0.78 -0.43 0.00 -0.00 -1.21 -1.76 115.15 113.08 1tk6 h HIS 150 Ca 0.27 -0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1tk6 h HIS 150 Cb 0.20 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1tk6 h HIS 150 CO -0.10 0.62 0.17 1.98 -0.00 0.00 0.00 177.93 180.59 1tk6 h MET 151 N 0.71 0.64 -0.89 5.26 -1.53 -0.67 -1.88 114.93 116.57 1tk6 h MET 151 Ca 0.18 -0.12 0.08 0.00 -3.44 0.00 0.00 59.70 56.40 1tk6 h MET 151 Cb 0.14 -0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 31.03 1tk6 h MET 151 CO -0.02 0.60 0.58 -0.07 0.14 0.00 0.00 176.91 178.14 1tk6 h LEU 152 N 0.55 0.84 -0.48 3.39 3.38 -0.78 -1.43 115.31 120.77 1tk6 h LEU 152 Ca 0.14 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1tk6 h LEU 152 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1tk6 h LEU 152 CO -0.01 0.51 -0.72 0.03 0.09 0.00 0.00 178.44 178.34 1tk6 h ARG 153 N 0.94 0.24 -0.50 1.13 3.08 -0.99 0.13 114.38 118.41 1tk6 h ARG 153 Ca 0.40 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1tk6 h ARG 153 Cb 0.32 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1tk6 h ARG 153 CO -0.16 0.86 0.11 0.93 -1.07 0.00 0.00 179.97 180.64 1tk6 h GLU 154 N 0.16 0.76 0.06 0.04 4.39 -0.82 -2.59 114.58 116.59 1tk6 h GLU 154 Ca -0.02 -0.15 -0.25 0.00 0.34 0.00 0.00 59.36 59.27 1tk6 h GLU 154 Cb 1.28 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1tk6 h GLU 154 CO 0.11 0.70 -1.08 0.78 -1.16 0.00 0.00 179.01 178.37 1tk6 h GLY 155 N 0.93 0.42 0.34 -3.84 0.00 -1.05 -3.30 103.07 96.57 1tk6 h GLY 155 Ca 0.16 -0.84 0.12 0.00 0.00 0.00 0.00 47.33 46.76 1tk6 h GLY 155 CO -0.00 0.74 0.36 -2.00 0.00 0.00 0.00 176.54 175.64 1tk6 h LEU 156 N 0.17 0.43 -0.81 3.11 5.85 -0.50 -1.29 115.31 122.27 1tk6 h LEU 156 Ca -0.11 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1tk6 h LEU 156 Cb 1.75 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1tk6 h LEU 156 CO 0.18 0.22 -0.46 -0.29 -0.34 0.00 0.00 178.44 177.75 1tk6 h ILE 157 N 0.57 1.33 -0.18 4.05 2.10 -1.58 0.25 117.51 124.04 1tk6 h ILE 157 Ca 0.39 -1.65 -0.06 0.00 1.08 0.00 0.00 64.86 64.62 1tk6 h ILE 157 Cb 0.49 1.74 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1tk6 h ILE 157 CO -0.32 0.50 -0.13 -0.33 -1.08 0.00 0.00 178.15 176.78 1tk6 h GLU 158 N 0.25 0.41 -0.47 2.19 4.39 -1.46 -1.94 114.58 117.95 1tk6 h GLU 158 Ca 0.02 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 1tk6 h GLU 158 Cb 0.91 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1tk6 h GLU 158 CO 0.07 0.74 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.58 1tk6 h LEU 159 N 0.08 0.83 -0.89 1.33 4.07 -0.94 -2.02 115.31 117.77 1tk6 h LEU 159 Ca 0.04 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.69 1tk6 h LEU 159 Cb 0.64 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1tk6 h LEU 159 CO 0.04 0.95 0.59 -0.33 -1.08 0.00 0.00 178.44 178.60 1tk6 h GLU 160 N 0.69 1.16 -0.77 1.13 5.08 -0.48 0.79 114.58 122.18 1tk6 h GLU 160 Ca 0.13 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1tk6 h GLU 160 Cb 0.54 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1tk6 h GLU 160 CO 0.03 0.77 0.40 0.22 -1.00 0.00 0.00 179.01 179.43 1tk6 h ASP 161 N 1.20 0.98 -0.30 1.42 -0.00 -1.04 0.68 116.42 119.35 1tk6 h ASP 161 Ca 0.33 -0.11 -0.17 0.00 -0.00 0.00 0.00 57.03 57.08 1tk6 h ASP 161 Cb -0.13 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 38.95 1tk6 h ASP 161 CO -0.07 0.81 -0.45 0.44 -0.00 0.00 0.00 179.24 179.97 1tk6 h ASP 162 N 1.07 0.94 -0.75 2.28 3.32 -1.07 -1.70 116.42 120.52 1tk6 h ASP 162 Ca 0.27 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1tk6 h ASP 162 Cb 0.07 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 1tk6 h ASP 162 CO -0.04 1.25 0.47 0.00 -1.72 0.00 0.00 179.24 179.20 1tk6 h ALA 163 N 0.79 0.98 -0.19 3.45 0.00 -0.53 -2.10 119.26 121.65 1tk6 h ALA 163 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1tk6 h ALA 163 Cb 1.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1tk6 h ALA 163 CO 0.10 0.27 -0.48 1.25 0.00 0.00 0.00 179.25 180.39 1tk6 h HIS 164 N 0.93 0.63 -0.34 0.00 -0.00 -0.60 -1.96 115.15 113.80 1tk6 h HIS 164 Ca 0.30 -0.20 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 1tk6 h HIS 164 Cb 0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 1tk6 h HIS 164 CO -0.03 0.90 0.10 0.45 -0.00 0.00 0.00 177.93 179.35 1tk6 h HIS 165 N 0.41 0.18 -0.38 5.26 -0.00 -0.97 -0.75 115.15 118.90 1tk6 h HIS 165 Ca 0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1tk6 h HIS 165 Cb 1.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 1tk6 h HIS 165 CO 0.04 0.07 0.08 0.82 -0.00 0.00 0.00 177.93 178.94 1tk6 h ILE 166 N 0.24 1.23 -0.90 2.45 2.04 -0.82 -1.08 117.51 120.67 1tk6 h ILE 166 Ca 0.16 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 65.34 1tk6 h ILE 166 Cb 0.15 1.02 -0.09 0.00 -0.74 0.00 0.00 36.82 37.17 1tk6 h ILE 166 CO -0.18 0.27 0.52 -0.08 0.00 0.00 0.00 178.15 178.69 1tk6 h GLU 167 N 0.47 0.78 -0.26 2.37 4.81 -1.12 -1.78 114.58 119.85 1tk6 h GLU 167 Ca 0.12 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1tk6 h GLU 167 Cb 0.32 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 1tk6 h GLU 167 CO 0.00 0.52 -0.50 0.45 -0.73 0.00 0.00 179.01 178.75 1tk6 h HIS 168 N 0.80 0.88 -0.47 0.92 3.86 -0.16 -2.46 115.15 118.52 1tk6 h HIS 168 Ca 0.46 -0.30 0.10 0.00 -1.16 0.00 0.00 60.37 59.48 1tk6 h HIS 168 Cb 0.53 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 1tk6 h HIS 168 CO -0.05 1.07 0.32 1.88 0.86 0.00 0.00 177.93 182.01 1tk6 h TYR 169 N 0.56 0.20 -0.01 2.45 0.05 -0.57 -2.14 116.97 117.52 1tk6 h TYR 169 Ca 0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1tk6 h TYR 169 Cb 1.07 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1tk6 h TYR 169 CO 0.05 0.10 -0.31 1.28 -1.05 0.00 0.00 178.16 178.23 1tk6 n LEU 170 N -4.45 1.13 -4.78 3.88 4.77 -0.73 -4.94 117.00 111.87 1tk6 n LEU 170 Ca 0.07 -0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.42 1tk6 n LEU 170 Cb 0.40 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1tk6 n LEU 170 CO 0.35 0.21 0.71 -1.61 -1.33 0.00 0.00 177.39 175.73 1tk6 s GLU 171 N -2.53 2.65 -1.36 3.23 0.41 -0.81 -4.93 118.70 115.36 1tk6 s GLU 171 Ca 0.23 1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 55.89 1tk6 s GLU 171 Cb 0.19 -1.95 0.10 0.00 -1.78 0.00 0.00 34.13 30.69 1tk6 s GLU 171 CO 0.54 -1.34 2.36 -0.40 -0.49 0.00 0.00 175.26 175.94 1tk6 n ASP 172 N -3.01 7.45 -4.05 -0.19 5.75 -1.26 -4.84 116.55 116.40 1tk6 n ASP 172 Ca 0.09 -3.05 -0.08 0.00 -0.01 0.00 0.00 54.79 51.75 1tk6 n ASP 172 Cb 0.53 -1.42 -0.09 0.00 -1.03 0.00 0.00 41.12 39.10 1tk6 n ASP 172 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1tk6 s ASP 173 N 0.80 0.40 -0.11 -1.12 -1.08 -1.26 -5.17 116.67 109.13 1tk6 s ASP 173 Ca 0.53 -0.96 -0.31 0.00 -0.52 0.00 0.00 52.55 51.30 1tk6 s ASP 173 Cb 0.17 0.24 0.12 0.00 -1.46 0.00 0.00 42.92 41.98 1tk6 s ASP 173 CO -0.07 -0.64 1.02 0.28 0.52 0.00 0.00 175.17 176.28 1tk6 s THR 174 N -3.92 0.00 -0.57 1.71 -1.32 -1.26 -5.01 115.64 105.27 1tk6 s THR 174 Ca 0.08 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.82 1tk6 s THR 174 Cb 0.07 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.37 1tk6 s THR 174 CO -0.09 0.00 1.73 -0.07 -2.21 0.00 0.00 174.62 173.98 1tk6 h LEU 175 N 2.18 0.00 -9.90 9.08 3.38 -2.03 -3.46 115.31 114.56 1tk6 h LEU 175 Ca -0.17 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.28 1tk6 h LEU 175 Cb 1.20 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.00 1tk6 h LEU 175 CO 0.29 0.00 0.57 -0.69 0.09 0.00 0.00 178.44 178.70 1tk6 s VAL 176 N -3.18 2.92 0.21 1.22 1.01 -1.26 -5.03 120.40 116.29 1tk6 s VAL 176 Ca 0.08 0.88 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1tk6 s VAL 176 Cb 0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1tk6 s VAL 176 CO 0.60 0.17 -0.20 0.42 0.00 0.00 0.00 175.10 176.08 1tk6 s THR 177 N -1.23 2.18 0.38 3.92 -4.23 -1.26 -5.01 115.64 110.39 1tk6 s THR 177 Ca 0.52 -2.14 0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1tk6 s THR 177 Cb -0.36 -2.10 0.32 0.00 1.34 0.00 0.00 72.50 71.70 1tk6 s THR 177 CO 0.47 -0.31 1.93 -0.61 -0.54 0.00 0.00 174.62 175.55 1tk6 h GLN 178 N 2.85 0.60 -0.92 3.99 5.75 -1.99 0.14 115.11 125.53 1tk6 h GLN 178 Ca -0.42 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.14 1tk6 h GLN 178 Cb 1.22 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.57 1tk6 h GLN 178 CO 0.54 0.40 0.59 0.78 -2.65 0.00 0.00 178.83 178.49 1tk6 h GLY 179 N 0.62 1.36 2.00 2.39 0.00 -2.01 -2.11 103.07 105.32 1tk6 h GLY 179 Ca 0.36 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1tk6 h GLY 179 CO -0.13 0.22 -0.28 0.00 0.00 0.00 0.00 176.54 176.34 1tk6 h ALA 180 N 1.54 1.00 0.00 3.60 0.00 -1.38 -3.55 119.26 120.47 1tk6 h ALA 180 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1tk6 h ALA 180 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1tk6 h ALA 180 CO -0.19 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.69