#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk6 n THR 3 N 0.00 0.51 0.13 2.46 -1.04 -1.26 -3.40 114.28 111.67 1tk6 n THR 3 Ca 0.00 -0.02 0.06 0.00 -2.04 0.00 0.00 64.05 62.06 1tk6 n THR 3 Cb 0.00 -0.72 0.12 0.00 -1.82 0.00 0.00 70.33 67.91 1tk6 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tk6 n GLN 4 N -1.89 1.93 -2.02 -2.82 6.02 -1.26 -5.01 117.38 112.33 1tk6 n GLN 4 Ca 0.05 -1.75 -0.38 0.00 -0.01 0.00 0.00 57.00 54.91 1tk6 n GLN 4 Cb 0.32 -1.28 0.01 0.00 1.02 0.00 0.00 30.24 30.31 1tk6 n GLN 4 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1tk6 s LYS 5 N -1.03 3.63 0.19 -1.09 1.02 -1.22 -4.92 119.74 116.32 1tk6 s LYS 5 Ca 0.21 2.07 -0.01 0.00 0.02 0.00 0.00 55.97 58.27 1tk6 s LYS 5 Cb 0.12 -2.49 0.09 0.00 -0.52 0.00 0.00 37.83 35.04 1tk6 s LYS 5 CO 0.17 -0.74 1.46 -0.91 -0.92 0.00 0.00 175.35 174.41 1tk6 h ASN 6 N 2.09 0.47 -3.63 2.83 2.35 -1.95 -3.44 115.58 114.30 1tk6 h ASN 6 Ca -0.50 -0.29 -0.51 0.00 -0.55 0.00 0.00 56.30 54.45 1tk6 h ASN 6 Cb 1.26 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1tk6 h ASN 6 CO 0.60 1.02 0.29 0.00 -1.65 0.00 0.00 177.43 177.69 1tk6 s ALA 7 N -3.68 3.36 0.24 -0.83 0.00 -1.26 -4.93 121.76 114.66 1tk6 s ALA 7 Ca -0.06 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.51 1tk6 s ALA 7 Cb 0.11 -3.13 0.23 0.00 0.00 0.00 0.00 23.12 20.33 1tk6 s ALA 7 CO 0.83 0.19 1.54 -0.09 0.00 0.00 0.00 175.76 178.24 1tk6 h ARG 8 N 4.51 0.00 -2.96 0.00 2.43 -2.02 -3.45 114.38 112.90 1tk6 h ARG 8 Ca -0.45 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1tk6 h ARG 8 Cb 1.20 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.56 1tk6 h ARG 8 CO 0.68 0.70 -0.22 0.00 -1.51 0.00 0.00 179.97 179.62 1tk6 s ALA 9 N -3.42 -0.88 -0.14 2.80 0.00 -1.26 -5.14 121.76 113.72 1tk6 s ALA 9 Ca -0.01 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1tk6 s ALA 9 Cb 0.12 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 1tk6 s ALA 9 CO 0.78 -0.29 -0.00 0.99 0.00 0.00 0.00 175.76 177.23 1tk6 s THR 10 N -1.48 4.24 0.27 0.00 2.01 -1.26 -5.05 115.64 114.37 1tk6 s THR 10 Ca -0.12 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1tk6 s THR 10 Cb -0.04 -2.85 -0.14 0.00 0.01 0.00 0.00 72.50 69.48 1tk6 s THR 10 CO 0.04 0.52 1.19 0.00 -0.69 0.00 0.00 174.62 175.67 1tk6 n ALA 11 N 3.14 0.29 0.00 7.40 0.00 -1.26 -0.63 120.51 129.46 1tk6 n ALA 11 Ca -0.17 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1tk6 n ALA 11 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 1.49 3.15 3.82 0.00 0.00 -1.26 -5.03 105.19 107.35 1tk6 n GLY 12 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.40 3.97 -0.06 1.61 2.02 0.20 -4.98 118.70 121.06 1tk6 s GLU 13 Ca 0.00 1.16 -0.00 0.00 0.02 0.00 0.00 54.97 56.15 1tk6 s GLU 13 Cb 0.00 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 32.12 1tk6 s GLU 13 CO 0.00 -0.26 -0.03 0.08 0.02 0.00 0.00 175.26 175.07 1tk6 s VAL 14 N -2.24 0.51 -1.55 2.63 1.01 -1.25 -3.82 120.40 115.69 1tk6 s VAL 14 Ca 0.63 -0.03 0.13 0.00 0.00 0.00 0.00 61.98 62.71 1tk6 s VAL 14 Cb -0.12 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.75 1tk6 s VAL 14 CO 0.21 0.25 0.88 -1.84 0.00 0.00 0.00 175.10 174.60 1tk6 n GLU 15 N 4.63 1.11 0.00 2.72 0.28 -0.29 -4.84 120.64 124.24 1tk6 n GLU 15 Ca -0.16 -1.15 0.00 0.00 -0.16 0.00 0.00 57.16 55.69 1tk6 n GLU 15 Cb 0.50 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.14 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 0.81 -0.07 2.97 -1.84 0.00 -0.94 -4.39 105.19 101.73 1tk6 n GLY 16 Ca 0.07 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.00 -0.12 0.15 1.61 0.15 -0.34 -3.71 113.70 107.44 1tk6 s SER 17 Ca 0.00 0.28 0.11 0.00 0.70 0.00 0.00 55.95 57.04 1tk6 s SER 17 Cb 0.00 0.23 -0.11 0.00 -1.71 0.00 0.00 66.02 64.43 1tk6 s SER 17 CO 0.00 -0.09 1.23 0.44 1.20 0.00 0.00 173.24 176.01 1tk6 h ASP 18 N 6.57 0.00 -0.42 5.45 3.32 -1.90 -1.44 116.42 127.99 1tk6 h ASP 18 Ca -0.34 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1tk6 h ASP 18 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1tk6 h ASP 18 CO 0.42 0.79 0.09 0.00 -1.72 0.00 0.00 179.24 178.82 1tk6 h ALA 19 N 1.21 0.56 -0.06 3.45 0.00 -1.95 -2.70 119.26 119.77 1tk6 h ALA 19 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1tk6 h ALA 19 Cb 1.65 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1tk6 h ALA 19 CO 0.09 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1tk6 n LEU 20 N -4.52 1.36 -3.88 0.00 4.77 -1.24 -4.96 117.00 108.52 1tk6 n LEU 20 Ca -0.00 -0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 55.21 1tk6 n LEU 20 Cb 0.22 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1tk6 n LEU 20 CO 0.39 0.25 -0.19 0.54 -1.33 0.00 0.00 177.39 177.05 1tk6 n ARG 21 N 0.08 -2.94 -3.97 3.23 5.12 -1.02 -4.95 116.66 112.21 1tk6 n ARG 21 Ca 0.18 0.42 -0.30 0.00 -1.93 0.00 0.00 57.85 56.23 1tk6 n ARG 21 Cb 0.31 -4.45 -0.16 0.00 -1.16 0.00 0.00 32.46 27.00 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 -6.41 1.86 0.61 5.56 1.75 -0.57 -5.02 119.30 117.07 1tk6 s MET 22 Ca 0.11 -0.80 -0.17 0.00 -1.25 0.00 0.00 55.69 53.57 1tk6 s MET 22 Cb -0.04 -2.37 -0.03 0.00 2.84 0.00 0.00 34.83 35.24 1tk6 s MET 22 CO 0.88 -0.45 1.12 0.16 -0.65 0.00 0.00 175.02 176.07 1tk6 s ASP 23 N 1.44 5.40 0.25 1.11 -4.77 -1.26 -1.20 116.67 117.63 1tk6 s ASP 23 Ca -0.02 2.06 -0.03 0.00 -3.30 0.00 0.00 52.55 51.27 1tk6 s ASP 23 Cb -0.16 -2.56 0.46 0.00 -1.09 0.00 0.00 42.92 39.56 1tk6 s ASP 23 CO -0.08 -1.44 1.77 0.00 0.70 0.00 0.00 175.17 176.13 1tk6 h ALA 24 N 0.54 1.17 -0.01 2.11 0.00 -1.89 -0.34 119.26 120.84 1tk6 h ALA 24 Ca -0.48 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1tk6 h ALA 24 Cb 1.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1tk6 h ALA 24 CO 0.55 -0.06 -0.35 0.22 0.00 0.00 0.00 179.25 179.61 1tk6 h ASP 25 N 0.62 -1.06 -0.08 0.00 1.82 -1.93 0.24 116.42 116.04 1tk6 h ASP 25 Ca 0.42 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 1tk6 h ASP 25 Cb 0.54 0.42 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 1tk6 h ASP 25 CO -0.33 -0.41 0.05 -0.09 -1.61 0.00 0.00 179.24 176.86 1tk6 h ARG 26 N -0.50 0.10 -0.68 0.28 2.43 -1.79 -3.01 114.38 111.22 1tk6 h ARG 26 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1tk6 h ARG 26 Cb 0.59 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1tk6 h ARG 26 CO -0.29 0.07 0.40 0.00 -1.51 0.00 0.00 179.97 178.65 1tk6 h ALA 27 N 1.02 0.86 -1.01 2.80 0.00 -0.74 -1.89 119.26 120.31 1tk6 h ALA 27 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1tk6 h ALA 27 Cb -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 1tk6 h ALA 27 CO -0.01 0.34 0.65 1.49 0.00 0.00 0.00 179.25 181.73 1tk6 h GLU 28 N 0.92 1.09 -0.80 0.00 4.81 -0.39 0.21 114.58 120.42 1tk6 h GLU 28 Ca 0.24 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1tk6 h GLU 28 Cb -0.01 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.08 1tk6 h GLU 28 CO -0.04 0.72 0.41 1.96 -0.73 0.00 0.00 179.01 181.32 1tk6 h GLN 29 N 1.12 1.14 -0.20 1.92 4.20 -1.27 -0.02 115.11 121.99 1tk6 h GLN 29 Ca 0.46 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 1tk6 h GLN 29 Cb 0.27 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1tk6 h GLN 29 CO -0.20 0.86 -0.31 0.00 -0.67 0.00 0.00 178.83 178.51 1tk6 h VAL 31 N 0.24 1.08 -0.55 0.00 2.07 -0.47 0.67 116.25 119.30 1tk6 h VAL 31 Ca 0.02 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1tk6 h VAL 31 Cb 0.89 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1tk6 h VAL 31 CO 0.07 0.16 0.32 0.44 0.02 0.00 0.00 177.57 178.57 1tk6 h ASP 32 N 0.86 0.50 -0.09 0.57 3.32 -0.97 -0.34 116.42 120.27 1tk6 h ASP 32 Ca 0.29 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1tk6 h ASP 32 Cb 0.05 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1tk6 h ASP 32 CO -0.12 0.34 0.02 0.00 -1.72 0.00 0.00 179.24 177.76 1tk6 h ALA 33 N 1.26 0.12 -0.45 3.45 0.00 -1.10 -3.04 119.26 119.50 1tk6 h ALA 33 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1tk6 h ALA 33 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1tk6 h ALA 33 CO -0.12 -0.25 -0.13 -0.07 0.00 0.00 0.00 179.25 178.67 1tk6 h LEU 34 N -0.07 0.83 -1.28 0.00 3.38 -0.61 -1.89 115.31 115.66 1tk6 h LEU 34 Ca 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1tk6 h LEU 34 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1tk6 h LEU 34 CO 0.00 0.97 0.27 0.78 0.09 0.00 0.00 178.44 180.56 1tk6 h ASN 35 N 0.75 0.68 -0.12 -0.43 2.35 -1.11 0.24 115.58 117.94 1tk6 h ASN 35 Ca 0.12 -0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1tk6 h ASN 35 Cb 0.64 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1tk6 h ASN 35 CO 0.04 0.58 -0.53 0.00 -1.65 0.00 0.00 177.43 175.88 1tk6 h ALA 36 N 1.53 0.62 -0.39 -0.83 0.00 -1.36 -2.41 119.26 116.42 1tk6 h ALA 36 Ca 0.19 -0.50 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1tk6 h ALA 36 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tk6 h ALA 36 CO -0.03 0.68 -0.21 -0.44 0.00 0.00 0.00 179.25 179.26 1tk6 h ASP 37 N 0.54 0.87 -0.46 0.00 3.32 -0.46 -2.95 116.42 117.28 1tk6 h ASP 37 Ca 0.02 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1tk6 h ASP 37 Cb 1.09 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.34 1tk6 h ASP 37 CO 0.11 1.09 0.10 0.25 -1.72 0.00 0.00 179.24 179.07 1tk6 h LEU 38 N 0.65 0.03 -0.25 1.55 5.85 -0.36 0.17 115.31 122.94 1tk6 h LEU 38 Ca 0.09 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1tk6 h LEU 38 Cb 0.77 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1tk6 h LEU 38 CO 0.06 0.05 0.14 0.00 -0.34 0.00 0.00 178.44 178.35 1tk6 h ALA 39 N 1.35 0.31 -0.43 1.25 0.00 -1.43 0.16 119.26 120.47 1tk6 h ALA 39 Ca 0.23 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1tk6 h ALA 39 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tk6 h ALA 39 CO -0.29 -0.25 -0.10 -0.91 0.00 0.00 0.00 179.25 177.70 1tk6 h ASN 40 N 0.29 0.76 0.07 0.00 2.35 -1.30 -1.80 115.58 115.95 1tk6 h ASN 40 Ca 0.10 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 1tk6 h ASN 40 Cb 0.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1tk6 h ASN 40 CO -0.05 0.89 -0.37 0.58 -1.65 0.00 0.00 177.43 176.83 1tk6 h VAL 41 N 0.70 1.29 -0.00 2.81 2.07 -0.50 0.47 116.25 123.10 1tk6 h VAL 41 Ca 0.12 -1.47 -0.20 0.00 0.82 0.00 0.00 66.70 65.98 1tk6 h VAL 41 Cb 0.58 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1tk6 h VAL 41 CO 0.04 0.45 -0.87 1.88 0.02 0.00 0.00 177.57 179.09 1tk6 h TYR 42 N 0.34 0.30 -0.18 1.57 0.99 -0.46 -0.46 116.97 119.07 1tk6 h TYR 42 Ca 0.04 -0.16 -0.13 0.00 2.00 0.00 0.00 58.73 60.48 1tk6 h TYR 42 Cb 0.81 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.49 1tk6 h TYR 42 CO 0.02 0.97 -0.43 -0.39 -0.00 0.00 0.00 178.16 178.33 1tk6 h VAL 43 N 0.11 1.31 -0.13 -2.88 -1.51 -1.08 -1.50 116.25 110.58 1tk6 h VAL 43 Ca -0.04 -1.61 0.04 0.00 -1.23 0.00 0.00 66.70 63.86 1tk6 h VAL 43 Cb 1.49 1.65 -0.04 0.00 -2.13 0.00 0.00 31.29 32.26 1tk6 h VAL 43 CO 0.13 0.50 -0.14 0.25 -1.23 0.00 0.00 177.57 177.08 1tk6 h LEU 44 N 0.35 -0.43 -0.05 4.19 5.85 -0.59 -2.15 115.31 122.49 1tk6 h LEU 44 Ca 0.03 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1tk6 h LEU 44 Cb 0.91 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 1tk6 h LEU 44 CO 0.08 -0.18 -0.30 0.22 -0.34 0.00 0.00 178.44 177.91 1tk6 h TYR 45 N -0.17 -0.83 -0.16 1.25 3.20 -0.90 -0.56 116.97 118.80 1tk6 h TYR 45 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1tk6 h TYR 45 Cb 0.30 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1tk6 h TYR 45 CO -0.26 -0.39 0.06 0.45 -1.64 0.00 0.00 178.16 176.38 1tk6 h HIS 46 N -0.43 0.21 0.16 -3.82 3.86 -1.17 0.13 115.15 114.09 1tk6 h HIS 46 Ca 0.07 -0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.99 1tk6 h HIS 46 Cb 0.54 -0.07 0.02 0.00 1.06 0.00 0.00 27.41 28.96 1tk6 h HIS 46 CO -0.35 0.18 -1.29 0.37 0.86 0.00 0.00 177.93 177.69 1tk6 h GLN 47 N 0.22 0.43 -0.73 2.45 4.15 -0.91 -1.64 115.11 119.08 1tk6 h GLN 47 Ca 0.06 -0.67 0.02 0.00 0.77 0.00 0.00 58.65 58.82 1tk6 h GLN 47 Cb 0.06 0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1tk6 h GLN 47 CO -0.01 1.31 0.47 -0.07 -1.93 0.00 0.00 178.83 178.60 1tk6 h LEU 48 N 0.14 0.80 -0.10 -2.39 3.38 -0.80 0.76 115.31 117.11 1tk6 h LEU 48 Ca -0.18 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1tk6 h LEU 48 Cb 1.99 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 1tk6 h LEU 48 CO 0.23 0.57 -0.13 0.11 0.09 0.00 0.00 178.44 179.31 1tk6 h LYS 49 N 0.95 -0.16 -0.28 1.13 1.79 -0.92 0.18 116.57 119.25 1tk6 h LYS 49 Ca 0.28 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.82 1tk6 h LYS 49 Cb -0.06 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.55 1tk6 h LYS 49 CO -0.08 -0.11 -0.41 -0.22 -1.08 0.00 0.00 179.45 177.56 1tk6 h LYS 50 N -0.17 -0.37 -0.23 3.15 3.64 -0.76 0.41 116.57 122.25 1tk6 h LYS 50 Ca 0.08 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1tk6 h LYS 50 Cb 0.28 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1tk6 h LYS 50 CO -0.20 -0.25 -0.01 0.45 -2.27 0.00 0.00 179.45 177.18 1tk6 h HIS 51 N -0.39 0.34 0.17 1.91 3.86 -0.48 -1.14 115.15 119.42 1tk6 h HIS 51 Ca 0.11 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1tk6 h HIS 51 Cb 0.59 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1tk6 h HIS 51 CO -0.55 0.36 -0.08 1.25 0.86 0.00 0.00 177.93 179.77 1tk6 h HIS 52 N 0.33 -0.21 -0.74 2.45 -0.00 0.27 -1.83 115.15 115.42 1tk6 h HIS 52 Ca 0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1tk6 h HIS 52 Cb 0.24 0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 1tk6 h HIS 52 CO 0.01 -0.10 0.43 -1.49 -0.00 0.00 0.00 177.93 176.77 1tk6 h TRP 53 N -0.26 0.98 -0.01 5.26 6.55 0.09 -3.28 115.95 125.29 1tk6 h TRP 53 Ca -0.02 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1tk6 h TRP 53 Cb 0.20 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.18 1tk6 h TRP 53 CO -0.06 0.67 -0.62 0.09 -1.05 0.00 0.00 178.44 177.47 1tk6 n ASN 54 N -4.38 1.26 -4.77 -3.49 3.02 -0.46 -4.97 115.26 101.48 1tk6 n ASN 54 Ca 0.08 -1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 1tk6 n ASN 54 Cb 0.08 0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 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 -2.39 2.69 0.10 2.41 0.11 -0.71 -4.99 120.40 117.63 1tk6 s VAL 55 Ca 0.11 0.69 0.02 0.00 -2.93 0.00 0.00 61.98 59.86 1tk6 s VAL 55 Cb 0.14 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1tk6 s VAL 55 CO 0.60 0.16 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.85 1tk6 s GLU 56 N -1.71 0.85 0.00 1.54 2.02 -1.26 -4.90 118.70 115.24 1tk6 s GLU 56 Ca 0.50 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1tk6 s GLU 56 Cb -0.40 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1tk6 s GLU 56 CO 0.53 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1tk6 n GLY 57 N -0.05 -0.55 0.21 -1.39 0.00 -1.26 -4.57 105.19 97.58 1tk6 n GLY 57 Ca -0.12 -2.18 0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 1.13 -0.39 4.61 0.00 -2.06 -2.00 119.26 120.54 1tk6 h ALA 58 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1tk6 h ALA 58 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tk6 h ALA 58 CO 0.00 0.39 0.01 0.39 0.00 0.00 0.00 179.25 180.04 1tk6 n GLU 59 N -3.65 3.57 0.15 0.00 4.71 -1.26 -4.82 120.64 119.34 1tk6 n GLU 59 Ca -0.01 -2.98 0.03 0.00 -0.01 0.00 0.00 57.16 54.20 1tk6 n GLU 59 Cb 0.43 -2.00 0.43 0.00 -1.01 0.00 0.00 31.44 29.28 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 2.52 0.16 0.23 -0.32 -5.15 -1.60 -2.20 116.94 110.58 1tk6 h PHE 60 Ca 0.02 -0.02 -0.32 0.00 -0.20 0.00 0.00 57.97 57.45 1tk6 h PHE 60 Cb 1.68 -0.05 0.03 0.00 0.22 0.00 0.00 35.95 37.83 1tk6 h PHE 60 CO 0.75 0.30 -1.46 -0.09 -2.00 0.00 0.00 178.31 175.82 1tk6 h ARG 61 N 0.15 0.49 -0.29 6.09 2.43 -1.87 0.51 114.38 121.88 1tk6 h ARG 61 Ca 0.03 -0.83 0.00 0.00 -0.81 0.00 0.00 59.98 58.37 1tk6 h ARG 61 Cb 0.35 0.31 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1tk6 h ARG 61 CO 0.02 1.40 0.18 0.22 -1.51 0.00 0.00 179.97 180.28 1tk6 h ASP 62 N 0.07 0.34 -0.34 -3.80 1.82 -1.91 -1.88 116.42 110.72 1tk6 h ASP 62 Ca -0.26 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.30 1tk6 h ASP 62 Cb 2.09 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 42.00 1tk6 h ASP 62 CO 0.24 0.28 0.09 -0.07 -1.61 0.00 0.00 179.24 178.17 1tk6 h LEU 63 N 0.38 0.58 -0.50 2.28 3.38 -1.13 -1.35 115.31 118.96 1tk6 h LEU 63 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1tk6 h LEU 63 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1tk6 h LEU 63 CO -0.02 0.60 0.29 -0.74 0.09 0.00 0.00 178.44 178.65 1tk6 h HIS 64 N 0.61 0.67 -0.05 1.13 2.76 0.36 0.62 115.15 121.26 1tk6 h HIS 64 Ca 0.14 -0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 58.05 1tk6 h HIS 64 Cb 0.26 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.02 1tk6 h HIS 64 CO 0.01 0.48 -0.94 -0.07 -1.30 0.00 0.00 177.93 176.12 1tk6 h LEU 65 N 0.66 0.86 -0.28 0.26 3.38 -1.15 -0.65 115.31 118.39 1tk6 h LEU 65 Ca 0.18 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1tk6 h LEU 65 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1tk6 h LEU 65 CO -0.03 1.44 0.02 0.15 0.09 0.00 0.00 178.44 180.11 1tk6 h PHE 66 N 0.41 0.53 0.00 1.13 3.57 -0.95 -2.07 116.94 119.56 1tk6 h PHE 66 Ca -0.10 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.21 1tk6 h PHE 66 Cb 1.58 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1tk6 h PHE 66 CO 0.09 0.61 -0.51 -0.07 -2.23 0.00 0.00 178.31 176.20 1tk6 h LEU 67 N 0.29 0.00 -0.37 0.59 3.38 -0.81 0.90 115.31 119.29 1tk6 h LEU 67 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1tk6 h LEU 67 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1tk6 h LEU 67 CO 0.01 0.51 -0.33 1.23 0.09 0.00 0.00 178.44 179.95 1tk6 h GLY 68 N 1.79 0.95 1.06 0.83 0.00 -0.92 -0.97 103.07 105.82 1tk6 h GLY 68 Ca -0.01 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 1tk6 h GLY 68 CO 0.07 0.86 0.17 0.83 0.00 0.00 0.00 176.54 178.47 1tk6 h GLU 69 N 0.68 1.13 -0.66 4.80 5.08 -1.06 -1.80 114.58 122.75 1tk6 h GLU 69 Ca 0.06 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1tk6 h GLU 69 Cb 0.91 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1tk6 h GLU 69 CO 0.08 0.99 0.10 0.00 -1.00 0.00 0.00 179.01 179.19 1tk6 h ALA 70 N 1.09 0.94 -0.68 3.43 0.00 -0.73 -1.39 119.26 121.91 1tk6 h ALA 70 Ca 0.22 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1tk6 h ALA 70 Cb 0.37 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1tk6 h ALA 70 CO 0.00 0.66 0.41 0.00 0.00 0.00 0.00 179.25 180.32 1tk6 h ALA 71 N 1.09 0.91 -0.71 0.00 0.00 -0.94 -1.03 119.26 118.58 1tk6 h ALA 71 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1tk6 h ALA 71 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1tk6 h ALA 71 CO 0.01 0.14 0.27 1.49 0.00 0.00 0.00 179.25 181.17 1tk6 h GLU 72 N 0.78 1.05 -0.39 0.00 4.81 -1.09 0.17 114.58 119.91 1tk6 h GLU 72 Ca 0.29 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1tk6 h GLU 72 Cb 0.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1tk6 h GLU 72 CO -0.14 0.86 -0.19 1.15 -0.73 0.00 0.00 179.01 179.96 1tk6 h THR 73 N 1.02 1.28 -0.76 0.32 2.02 -0.85 -1.80 112.91 114.14 1tk6 h THR 73 Ca 0.24 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.15 1tk6 h THR 73 Cb 0.21 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 1tk6 h THR 73 CO -0.02 0.44 0.46 0.00 0.37 0.00 0.00 175.52 176.77 1tk6 h ALA 74 N 0.81 1.03 -0.82 6.16 0.00 -0.70 -0.68 119.26 125.06 1tk6 h ALA 74 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1tk6 h ALA 74 Cb 0.74 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1tk6 h ALA 74 CO 0.06 0.20 0.46 1.49 0.00 0.00 0.00 179.25 181.46 1tk6 h GLU 75 N 0.86 1.13 -0.44 0.00 4.81 -0.40 0.34 114.58 120.89 1tk6 h GLU 75 Ca 0.33 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1tk6 h GLU 75 Cb 0.13 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1tk6 h GLU 75 CO -0.16 0.82 -0.25 0.93 -0.73 0.00 0.00 179.01 179.63 1tk6 h GLU 76 N 1.13 0.94 -0.25 1.92 5.08 -0.87 0.23 114.58 122.76 1tk6 h GLU 76 Ca 0.29 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1tk6 h GLU 76 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1tk6 h GLU 76 CO -0.05 1.09 0.13 0.28 -1.00 0.00 0.00 179.01 179.46 1tk6 h VAL 77 N 0.78 1.13 -0.55 3.13 2.07 -0.41 -1.40 116.25 120.99 1tk6 h VAL 77 Ca 0.09 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1tk6 h VAL 77 Cb 0.82 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1tk6 h VAL 77 CO 0.07 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.99 1tk6 h ALA 78 N 1.00 0.68 -0.31 1.67 0.00 -0.05 -1.92 119.26 120.34 1tk6 h ALA 78 Ca 0.09 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1tk6 h ALA 78 Cb 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1tk6 h ALA 78 CO -0.01 -0.19 -0.05 0.22 0.00 0.00 0.00 179.25 179.21 1tk6 h ASP 79 N 0.39 -0.23 -0.28 0.00 3.58 -0.26 0.12 116.42 119.74 1tk6 h ASP 79 Ca 0.27 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 1tk6 h ASP 79 Cb 0.30 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1tk6 h ASP 79 CO -0.26 -0.08 0.15 -0.33 -2.88 0.00 0.00 179.24 175.84 1tk6 h GLU 80 N 0.03 0.39 -0.49 0.28 4.39 -0.69 -1.01 114.58 117.48 1tk6 h GLU 80 Ca 0.15 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.83 1tk6 h GLU 80 Cb 0.22 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1tk6 h GLU 80 CO -0.29 0.33 0.29 -0.07 -1.16 0.00 0.00 179.01 178.11 1tk6 h LEU 81 N 0.34 0.47 -0.40 1.33 4.07 -1.12 0.30 115.31 120.30 1tk6 h LEU 81 Ca 0.10 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1tk6 h LEU 81 Cb 0.06 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1tk6 h LEU 81 CO -0.02 0.33 0.24 0.00 -1.08 0.00 0.00 178.44 177.92 1tk6 h ALA 82 N 1.22 0.50 -0.34 1.53 0.00 -0.32 0.41 119.26 122.26 1tk6 h ALA 82 Ca 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1tk6 h ALA 82 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1tk6 h ALA 82 CO -0.09 -0.01 -0.19 0.93 0.00 0.00 0.00 179.25 179.89 1tk6 h GLU 83 N 0.52 0.64 -0.38 0.00 5.08 -1.09 -1.84 114.58 117.50 1tk6 h GLU 83 Ca 0.14 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1tk6 h GLU 83 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1tk6 h GLU 83 CO -0.03 0.78 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.48 1tk6 h ARG 84 N 0.57 0.81 -0.52 2.33 9.65 -0.54 -0.33 114.38 126.34 1tk6 h ARG 84 Ca 0.09 -0.36 0.10 0.00 -1.10 0.00 0.00 59.98 58.72 1tk6 h ARG 84 Cb 0.64 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.10 1tk6 h ARG 84 CO 0.04 0.99 -0.04 0.28 2.80 0.00 0.00 179.97 184.04 1tk6 h VAL 85 N 0.61 0.55 -0.29 0.20 2.07 -0.77 -1.18 116.25 117.44 1tk6 h VAL 85 Ca 0.08 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 1tk6 h VAL 85 Cb 0.75 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1tk6 h VAL 85 CO 0.06 0.01 -0.33 -0.61 0.02 0.00 0.00 177.57 176.72 1tk6 h GLN 86 N 0.08 0.62 -0.14 1.57 -0.00 -1.08 -1.05 115.11 115.11 1tk6 h GLN 86 Ca 0.26 -0.28 -0.07 0.00 -0.00 0.00 0.00 58.65 58.56 1tk6 h GLN 86 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1tk6 h GLN 86 CO -0.47 0.87 -0.22 0.00 0.00 0.00 0.00 178.83 179.01 1tk6 h ALA 87 N 1.11 1.38 -0.08 3.38 0.00 -0.51 -1.38 119.26 123.17 1tk6 h ALA 87 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1tk6 h ALA 87 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tk6 h ALA 87 CO 0.07 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.03 1tk6 n LEU 88 N -4.20 0.68 0.00 0.00 4.77 -0.50 -4.52 117.00 113.23 1tk6 n LEU 88 Ca -0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1tk6 n LEU 88 Cb 0.33 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1tk6 n LEU 88 CO 0.39 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1tk6 n GLY 89 N 0.89 0.65 1.72 -0.72 0.00 -0.52 -2.22 105.19 104.99 1tk6 n GLY 89 Ca 0.13 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.64 1.48 3.05 -0.02 0.00 -0.43 -1.14 105.19 105.48 1tk6 n GLY 90 Ca 0.00 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.83 2.15 0.25 1.61 1.01 -1.25 -4.05 120.40 119.30 1tk6 s VAL 91 Ca 0.28 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 1tk6 s VAL 91 Cb -0.02 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1tk6 s VAL 91 CO 0.18 -0.14 1.49 -2.16 0.00 0.00 0.00 175.10 174.46 1tk6 s PRO 92 N 1.08 4.23 0.31 2.72 0.04 -1.26 -4.67 135.00 137.44 1tk6 s PRO 92 Ca -0.05 2.37 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 1tk6 s PRO 92 Cb -0.20 -3.09 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 1tk6 s PRO 92 CO -0.06 -0.48 1.31 0.72 0.04 0.00 0.00 177.00 178.53 1tk6 n HIS 93 N 2.39 2.19 0.08 0.56 8.25 -1.26 -4.91 115.22 122.51 1tk6 n HIS 93 Ca 0.07 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1tk6 n HIS 93 Cb 0.39 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.08 1tk6 n HIS 93 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tk6 n ALA 94 N 0.81 3.00 -1.79 -1.41 0.00 -1.26 -4.93 120.51 114.94 1tk6 n ALA 94 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1tk6 n ALA 94 Cb 0.34 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -5.53 6.19 0.19 0.00 1.04 -1.26 -4.81 113.70 109.52 1tk6 s SER 95 Ca 0.00 1.97 -0.11 0.00 0.48 0.00 0.00 55.95 58.29 1tk6 s SER 95 Cb 0.00 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1tk6 s SER 95 CO 0.00 -0.89 1.78 -0.65 0.98 0.00 0.00 173.24 174.47 1tk6 h PRO 96 N 1.43 0.52 -0.60 4.02 0.11 -1.99 -0.60 132.00 134.89 1tk6 h PRO 96 Ca -0.49 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.64 1tk6 h PRO 96 Cb 1.23 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1tk6 h PRO 96 CO 0.58 0.34 0.32 1.49 -0.21 0.00 0.00 178.00 180.53 1tk6 h GLU 97 N 0.53 0.58 -0.77 1.05 4.81 -2.00 -0.58 114.58 118.20 1tk6 h GLU 97 Ca 0.26 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1tk6 h GLU 97 Cb 0.19 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1tk6 h GLU 97 CO -0.19 0.38 0.46 1.15 -0.73 0.00 0.00 179.01 180.08 1tk6 h THR 98 N 0.60 1.22 -0.19 0.32 2.02 -1.75 -0.70 112.91 114.42 1tk6 h THR 98 Ca 0.27 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1tk6 h THR 98 Cb 0.18 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1tk6 h THR 98 CO -0.18 0.23 0.08 -0.07 0.37 0.00 0.00 175.52 175.95 1tk6 h LEU 99 N 1.06 0.25 -0.45 2.58 3.38 -0.63 0.40 115.31 121.90 1tk6 h LEU 99 Ca 0.28 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1tk6 h LEU 99 Cb -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1tk6 h LEU 99 CO -0.05 0.34 -0.03 -0.61 0.09 0.00 0.00 178.44 178.17 1tk6 h GLN 100 N 0.15 0.81 -0.66 1.13 4.15 -1.01 -1.64 115.11 118.05 1tk6 h GLN 100 Ca 0.06 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 1tk6 h GLN 100 Cb 0.16 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1tk6 h GLN 100 CO -0.01 0.89 0.25 0.00 -1.93 0.00 0.00 178.83 178.04 1tk6 h ALA 101 N 0.89 1.20 -0.00 3.38 0.00 -0.79 -2.27 119.26 121.68 1tk6 h ALA 101 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tk6 h ALA 101 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1tk6 h ALA 101 CO 0.03 0.58 -0.18 0.39 0.00 0.00 0.00 179.25 180.06 1tk6 n GLU 102 N -4.30 0.20 -2.59 0.00 -0.58 0.10 -4.82 120.64 108.65 1tk6 n GLU 102 Ca 0.06 -0.07 -0.40 0.00 -0.42 0.00 0.00 57.16 56.33 1tk6 n GLU 102 Cb 0.18 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 1tk6 n GLU 102 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tk6 s ALA 103 N -2.84 3.36 -0.47 0.62 0.00 -0.63 -4.79 121.76 117.01 1tk6 s ALA 103 Ca 0.17 0.77 0.23 0.00 0.00 0.00 0.00 51.96 53.14 1tk6 s ALA 103 Cb 0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1tk6 s ALA 103 CO 0.57 -0.01 0.93 -1.13 0.00 0.00 0.00 175.76 176.11 1tk6 n SER 104 N 1.24 0.56 -4.82 0.00 3.41 -1.26 -4.96 113.62 107.78 1tk6 n SER 104 Ca -0.01 -0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 1tk6 n SER 104 Cb 0.46 0.97 0.05 0.00 -0.26 0.00 0.00 64.21 65.43 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 -3.27 3.98 0.04 -3.33 -7.23 -1.26 -5.02 120.40 104.31 1tk6 s VAL 105 Ca 0.01 0.64 -0.23 0.00 -1.81 0.00 0.00 61.98 60.60 1tk6 s VAL 105 Cb 0.14 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 1tk6 s VAL 105 CO 0.82 -0.84 0.69 -1.81 -0.31 0.00 0.00 175.10 173.65 1tk6 s ASP 106 N -3.83 7.13 0.03 4.85 1.01 -1.26 -5.07 116.67 119.53 1tk6 s ASP 106 Ca 0.58 1.35 0.04 0.00 0.71 0.00 0.00 52.55 55.23 1tk6 s ASP 106 Cb -0.14 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1tk6 s ASP 106 CO 0.55 0.10 -0.09 0.68 0.21 0.00 0.00 175.17 176.62 1tk6 s VAL 107 N -0.34 3.48 0.56 -1.27 -7.23 -1.26 -4.91 120.40 109.43 1tk6 s VAL 107 Ca 0.34 -0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 59.40 1tk6 s VAL 107 Cb -0.20 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1tk6 s VAL 107 CO 0.21 0.34 1.20 -1.61 -0.31 0.00 0.00 175.10 174.93 1tk6 s GLU 108 N -1.56 3.18 0.90 4.82 2.02 -1.26 -5.04 118.70 121.76 1tk6 s GLU 108 Ca 0.18 1.82 -0.15 0.00 0.02 0.00 0.00 54.97 56.83 1tk6 s GLU 108 Cb -0.11 -2.04 0.22 0.00 0.10 0.00 0.00 34.13 32.30 1tk6 s GLU 108 CO 0.08 -1.04 0.77 -0.40 0.02 0.00 0.00 175.26 174.70 1tk6 n ASP 109 N -1.32 -1.93 0.00 -0.19 3.85 -1.26 -4.93 116.55 110.77 1tk6 n ASP 109 Ca 0.12 -0.95 0.14 0.00 -0.71 0.00 0.00 54.79 53.39 1tk6 n ASP 109 Cb 0.49 -0.72 0.67 0.00 -1.35 0.00 0.00 41.12 40.21 1tk6 n ASP 109 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1tk6 n GLU 110 N -3.96 0.23 -1.40 0.11 -0.58 -1.26 -4.79 120.64 108.99 1tk6 n GLU 110 Ca 0.11 0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.56 1tk6 n GLU 110 Cb 0.42 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.76 4.11 -0.19 1.62 1.01 -1.26 -5.03 116.67 114.17 1tk6 s ASP 111 Ca 0.21 1.42 -0.06 0.00 0.71 0.00 0.00 52.55 54.83 1tk6 s ASP 111 Cb 0.19 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 1tk6 s ASP 111 CO 0.47 -2.22 0.02 -0.69 0.21 0.00 0.00 175.17 172.96 1tk6 s VAL 112 N -3.05 4.27 0.44 -1.27 1.01 -1.26 -5.08 120.40 115.45 1tk6 s VAL 112 Ca 0.62 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1tk6 s VAL 112 Cb -0.16 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1tk6 s VAL 112 CO 0.55 0.44 0.42 -0.31 0.00 0.00 0.00 175.10 176.21 1tk6 s TYR 113 N 0.70 2.56 0.95 5.22 1.51 -1.26 -5.10 117.35 121.93 1tk6 s TYR 113 Ca 0.01 -0.53 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 1tk6 s TYR 113 Cb -0.14 -2.17 0.16 0.00 -0.11 0.00 0.00 41.96 39.70 1tk6 s TYR 113 CO 0.02 -0.23 1.10 0.16 -1.11 0.00 0.00 175.55 175.48 1tk6 s ASP 114 N -4.19 2.84 0.21 2.29 3.84 -1.26 -4.70 116.67 115.70 1tk6 s ASP 114 Ca 0.48 1.77 -0.05 0.00 -0.00 0.00 0.00 52.55 54.75 1tk6 s ASP 114 Cb -0.04 -2.38 0.17 0.00 -1.38 0.00 0.00 42.92 39.30 1tk6 s ASP 114 CO 0.28 -3.08 1.63 -0.29 -0.00 0.00 0.00 175.17 173.70 1tk6 h ILE 115 N -1.86 1.27 -0.38 2.11 6.09 -1.98 -1.33 117.51 121.43 1tk6 h ILE 115 Ca -0.49 -1.33 -0.02 0.00 -1.37 0.00 0.00 64.86 61.65 1tk6 h ILE 115 Cb 1.28 1.18 -0.02 0.00 0.47 0.00 0.00 36.82 39.74 1tk6 h ILE 115 CO 0.49 0.45 0.16 0.03 -3.07 0.00 0.00 178.15 176.20 1tk6 h ARG 116 N 0.70 0.57 -0.57 2.19 3.08 -1.99 0.70 114.38 119.06 1tk6 h ARG 116 Ca 0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1tk6 h ARG 116 Cb 0.73 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1tk6 h ARG 116 CO 0.06 0.54 0.25 1.15 -1.07 0.00 0.00 179.97 180.89 1tk6 h THR 117 N 0.47 1.22 -0.45 2.04 2.02 -1.86 -0.24 112.91 116.10 1tk6 h THR 117 Ca 0.13 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1tk6 h THR 117 Cb 0.18 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1tk6 h THR 117 CO -0.01 0.26 0.11 0.28 0.37 0.00 0.00 175.52 176.53 1tk6 h SER 118 N 0.78 0.68 -0.51 4.18 0.02 -0.93 -1.68 113.55 116.10 1tk6 h SER 118 Ca 0.19 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1tk6 h SER 118 Cb 0.17 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1tk6 h SER 118 CO -0.02 0.73 0.08 -0.07 -1.14 0.00 0.00 176.83 176.41 1tk6 h LEU 119 N 0.60 0.81 -1.14 5.07 4.07 -0.43 -1.64 115.31 122.65 1tk6 h LEU 119 Ca 0.14 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1tk6 h LEU 119 Cb 0.31 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1tk6 h LEU 119 CO 0.00 0.87 0.54 0.00 -1.08 0.00 0.00 178.44 178.77 1tk6 h ALA 120 N 0.97 1.36 -0.68 1.53 0.00 -0.78 0.21 119.26 121.88 1tk6 h ALA 120 Ca 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1tk6 h ALA 120 Cb 0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1tk6 h ALA 120 CO 0.01 0.57 0.29 -0.91 0.00 0.00 0.00 179.25 179.21 1tk6 h ASN 121 N 1.15 0.89 -0.47 0.00 2.35 -1.07 -2.35 115.58 116.09 1tk6 h ASN 121 Ca 0.31 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1tk6 h ASN 121 Cb -0.10 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1tk6 h ASN 121 CO -0.06 0.79 -0.14 0.44 -1.65 0.00 0.00 177.43 176.80 1tk6 h ASP 122 N 0.97 0.93 -0.67 5.81 3.32 -0.04 -2.92 116.42 123.82 1tk6 h ASP 122 Ca 0.23 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1tk6 h ASP 122 Cb 0.16 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1tk6 h ASP 122 CO -0.02 1.09 0.40 -0.03 -1.72 0.00 0.00 179.24 178.95 1tk6 h MET 123 N 0.76 0.73 -0.77 3.56 4.05 -0.33 -1.32 114.93 121.61 1tk6 h MET 123 Ca 0.11 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.57 1tk6 h MET 123 Cb 0.70 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 31.27 1tk6 h MET 123 CO 0.05 0.48 0.44 0.00 0.23 0.00 0.00 176.91 178.12 1tk6 h ALA 124 N 1.32 1.07 -0.26 0.39 0.00 -1.31 -1.20 119.26 119.27 1tk6 h ALA 124 Ca 0.29 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1tk6 h ALA 124 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tk6 h ALA 124 CO -0.14 0.11 -0.05 0.82 0.00 0.00 0.00 179.25 179.98 1tk6 h ILE 125 N 0.78 1.28 -0.74 0.00 2.04 -1.19 -2.50 117.51 117.18 1tk6 h ILE 125 Ca 0.36 -1.05 0.08 0.00 1.00 0.00 0.00 64.86 65.25 1tk6 h ILE 125 Cb 0.27 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 1tk6 h ILE 125 CO -0.21 0.33 0.40 1.88 0.00 0.00 0.00 178.15 180.55 1tk6 h TYR 126 N 0.24 0.73 -0.21 1.37 -1.99 -1.01 -1.26 116.97 114.83 1tk6 h TYR 126 Ca 0.07 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1tk6 h TYR 126 Cb 0.51 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1tk6 h TYR 126 CO 0.05 0.30 0.12 0.78 -0.00 0.00 0.00 178.16 179.41 1tk6 h GLY 127 N 0.69 0.32 0.69 3.88 0.00 -0.96 0.23 103.07 107.91 1tk6 h GLY 127 Ca 0.35 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1tk6 h GLY 127 CO -0.24 0.13 0.01 -0.55 0.00 0.00 0.00 176.54 175.90 1tk6 h ASP 128 N 0.25 -0.06 -0.44 0.19 5.19 -1.15 -0.86 116.42 119.54 1tk6 h ASP 128 Ca 0.08 0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1tk6 h ASP 128 Cb 0.05 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1tk6 h ASP 128 CO -0.01 0.00 0.01 0.40 -3.12 0.00 0.00 179.24 176.52 1tk6 h ILE 129 N 0.09 1.25 -0.17 0.35 2.04 -0.69 -2.07 117.51 118.31 1tk6 h ILE 129 Ca 0.10 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1tk6 h ILE 129 Cb 0.12 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1tk6 h ILE 129 CO -0.16 0.36 0.08 0.40 0.00 0.00 0.00 178.15 178.82 1tk6 h ILE 130 N 0.78 1.14 -0.32 -0.67 2.04 -0.12 -0.14 117.51 120.23 1tk6 h ILE 130 Ca 0.15 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1tk6 h ILE 130 Cb 0.45 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1tk6 h ILE 130 CO 0.02 0.13 0.10 -0.33 0.00 0.00 0.00 178.15 178.07 1tk6 h GLU 131 N 0.14 0.49 -0.60 2.37 5.08 -1.00 -1.55 114.58 119.50 1tk6 h GLU 131 Ca 0.06 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1tk6 h GLU 131 Cb 0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1tk6 h GLU 131 CO -0.01 0.53 0.20 0.00 -1.00 0.00 0.00 179.01 178.73 1tk6 h ALA 132 N 0.94 1.22 -0.46 3.43 0.00 -1.18 -2.55 119.26 120.65 1tk6 h ALA 132 Ca 0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1tk6 h ALA 132 Cb 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1tk6 h ALA 132 CO -0.00 0.55 -0.15 1.15 0.00 0.00 0.00 179.25 180.80 1tk6 h THR 133 N 0.88 1.27 -0.78 0.00 2.02 -0.58 0.14 112.91 115.87 1tk6 h THR 133 Ca 0.20 -1.29 0.04 0.00 0.77 0.00 0.00 66.41 66.12 1tk6 h THR 133 Cb 0.23 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1tk6 h THR 133 CO -0.01 0.44 0.49 0.03 0.37 0.00 0.00 175.52 176.84 1tk6 h ARG 134 N 0.76 0.92 -0.62 6.66 3.08 -1.02 0.41 114.38 124.56 1tk6 h ARG 134 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1tk6 h ARG 134 Cb 0.71 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1tk6 h ARG 134 CO 0.05 0.61 0.33 0.93 -1.07 0.00 0.00 179.97 180.83 1tk6 h GLU 135 N 0.95 0.87 -0.00 0.04 5.08 -0.95 -2.87 114.58 117.70 1tk6 h GLU 135 Ca 0.32 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1tk6 h GLU 135 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1tk6 h GLU 135 CO -0.12 0.67 -0.46 0.45 -1.00 0.00 0.00 179.01 178.55 1tk6 h HIS 136 N 0.85 0.01 -0.22 4.33 3.86 -0.08 -1.22 115.15 122.67 1tk6 h HIS 136 Ca 0.22 -0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 1tk6 h HIS 136 Cb 0.06 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1tk6 h HIS 136 CO -0.01 0.47 -0.53 1.79 0.86 0.00 0.00 177.93 180.52 1tk6 h THR 137 N 0.01 1.31 -0.39 2.45 1.35 -0.75 -1.67 112.91 115.22 1tk6 h THR 137 Ca -0.00 -1.75 -0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1tk6 h THR 137 Cb 0.82 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1tk6 h THR 137 CO 0.06 0.55 0.22 -0.33 -0.25 0.00 0.00 175.52 175.78 1tk6 h GLU 138 N 0.50 0.53 -0.23 4.72 5.08 -1.28 -0.65 114.58 123.26 1tk6 h GLU 138 Ca 0.02 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1tk6 h GLU 138 Cb 1.08 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1tk6 h GLU 138 CO 0.10 0.41 -0.01 1.25 -1.00 0.00 0.00 179.01 179.77 1tk6 h LEU 139 N 0.50 -0.11 -0.44 1.33 5.85 -0.89 0.13 115.31 121.68 1tk6 h LEU 139 Ca 0.14 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1tk6 h LEU 139 Cb 0.03 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1tk6 h LEU 139 CO -0.02 -0.03 0.21 0.00 -0.34 0.00 0.00 178.44 178.26 1tk6 h ALA 140 N 1.20 0.57 -0.72 1.25 0.00 -1.11 -0.47 119.26 119.98 1tk6 h ALA 140 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1tk6 h ALA 140 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1tk6 h ALA 140 CO -0.19 0.13 0.22 0.93 0.00 0.00 0.00 179.25 180.34 1tk6 h GLU 141 N 0.57 1.11 -0.09 0.00 4.39 -0.69 0.11 114.58 119.99 1tk6 h GLU 141 Ca 0.15 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1tk6 h GLU 141 Cb 0.12 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1tk6 h GLU 141 CO -0.02 0.95 -0.39 -0.91 -1.16 0.00 0.00 179.01 177.48 1tk6 h ASN 142 N 1.07 0.20 0.01 1.42 -0.26 -0.45 0.36 115.58 117.93 1tk6 h ASN 142 Ca 0.23 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1tk6 h ASN 142 Cb 0.30 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1tk6 h ASN 142 CO -0.01 0.58 0.00 0.18 -1.06 0.00 0.00 177.43 177.12 1tk6 n LEU 143 N -4.05 0.00 -0.20 1.61 4.77 -0.21 -4.90 117.00 114.03 1tk6 n LEU 143 Ca -0.01 0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1tk6 n LEU 143 Cb 0.45 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1tk6 n LEU 143 CO 0.41 -0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.05 1tk6 n GLY 144 N 0.57 0.55 3.38 -0.72 0.00 0.13 -4.93 105.19 104.17 1tk6 n GLY 144 Ca 0.19 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.36 7.22 0.34 1.61 3.68 0.30 -4.84 116.67 122.62 1tk6 s ASP 145 Ca 0.00 -3.36 0.18 0.00 2.13 0.00 0.00 52.55 51.50 1tk6 s ASP 145 Cb 0.00 -2.28 0.46 0.00 -1.45 0.00 0.00 42.92 39.65 1tk6 s ASP 145 CO 0.00 -0.46 1.63 0.45 0.13 0.00 0.00 175.17 176.92 1tk6 h HIS 146 N 6.88 0.00 -0.10 -5.34 3.86 -1.89 -2.48 115.15 116.08 1tk6 h HIS 146 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1tk6 h HIS 146 Cb 0.88 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1tk6 h HIS 146 CO 0.89 0.41 0.06 0.00 0.86 0.00 0.00 177.93 180.15 1tk6 h ALA 147 N 1.59 0.12 -0.32 2.45 0.00 -1.95 -0.74 119.26 120.41 1tk6 h ALA 147 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tk6 h ALA 147 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1tk6 h ALA 147 CO 0.05 -0.37 0.18 1.15 0.00 0.00 0.00 179.25 180.26 1tk6 h THR 148 N 0.11 1.13 -0.11 0.00 2.02 -1.91 -1.75 112.91 112.39 1tk6 h THR 148 Ca 0.04 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1tk6 h THR 148 Cb 0.01 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1tk6 h THR 148 CO -0.01 0.13 -0.09 0.00 0.37 0.00 0.00 175.52 175.92 1tk6 h ALA 149 N 1.05 -0.00 -0.43 6.16 0.00 -1.42 0.42 119.26 125.03 1tk6 h ALA 149 Ca 0.11 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1tk6 h ALA 149 Cb 0.06 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1tk6 h ALA 149 CO -0.02 -0.55 0.13 1.25 0.00 0.00 0.00 179.25 180.06 1tk6 h HIS 150 N -0.11 0.22 -0.45 0.00 -0.00 -1.12 -2.13 115.15 111.56 1tk6 h HIS 150 Ca 0.08 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1tk6 h HIS 150 Cb 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1tk6 h HIS 150 CO -0.21 0.06 0.24 1.98 -0.00 0.00 0.00 177.93 180.00 1tk6 h MET 151 N 0.28 0.63 -0.79 5.26 -1.53 -0.70 -1.64 114.93 116.44 1tk6 h MET 151 Ca 0.21 -0.08 0.05 0.00 -3.44 0.00 0.00 59.70 56.44 1tk6 h MET 151 Cb 0.23 -0.12 -0.05 0.00 -0.55 0.00 0.00 31.60 31.11 1tk6 h MET 151 CO -0.24 0.51 0.52 -0.07 0.14 0.00 0.00 176.91 177.78 1tk6 h LEU 152 N 0.59 0.80 -0.22 3.39 3.38 -0.78 -1.80 115.31 120.66 1tk6 h LEU 152 Ca 0.16 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 1tk6 h LEU 152 Cb 0.07 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tk6 h LEU 152 CO -0.02 0.53 -0.77 0.03 0.09 0.00 0.00 178.44 178.30 1tk6 h ARG 153 N 0.92 0.69 -0.85 1.13 3.08 -0.80 0.25 114.38 118.79 1tk6 h ARG 153 Ca 0.33 -0.57 0.02 0.00 0.07 0.00 0.00 59.98 59.83 1tk6 h ARG 153 Cb 0.14 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1tk6 h ARG 153 CO -0.11 1.18 0.56 0.93 -1.07 0.00 0.00 179.97 181.47 1tk6 h GLU 154 N 0.47 1.10 -0.07 0.04 4.39 -1.13 -1.49 114.58 117.89 1tk6 h GLU 154 Ca -0.05 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.35 1tk6 h GLU 154 Cb 1.39 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1tk6 h GLU 154 CO 0.15 0.73 -0.90 0.78 -1.16 0.00 0.00 179.01 178.61 1tk6 h GLY 155 N 1.13 0.76 0.59 -3.84 0.00 -0.84 -3.19 103.07 97.68 1tk6 h GLY 155 Ca 0.32 -1.20 0.08 0.00 0.00 0.00 0.00 47.33 46.53 1tk6 h GLY 155 CO -0.08 1.07 0.46 -2.00 0.00 0.00 0.00 176.54 175.99 1tk6 h LEU 156 N 0.43 0.67 -1.30 3.11 5.85 -0.05 -1.48 115.31 122.54 1tk6 h LEU 156 Ca -0.09 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1tk6 h LEU 156 Cb 1.54 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1tk6 h LEU 156 CO 0.18 0.40 -0.32 -0.29 -0.34 0.00 0.00 178.44 178.07 1tk6 h ILE 157 N 0.80 1.24 0.10 4.05 -0.00 -1.27 -0.23 117.51 122.19 1tk6 h ILE 157 Ca 0.37 -1.15 -0.19 0.00 -0.00 0.00 0.00 64.86 63.89 1tk6 h ILE 157 Cb 0.29 1.59 0.02 0.00 -0.00 0.00 0.00 36.82 38.72 1tk6 h ILE 157 CO -0.22 0.33 -0.79 -0.33 -0.00 0.00 0.00 178.15 177.14 1tk6 h GLU 158 N 0.04 0.36 -0.72 2.19 4.39 -1.36 -1.96 114.58 117.52 1tk6 h GLU 158 Ca 0.00 -0.52 0.05 0.00 0.34 0.00 0.00 59.36 59.23 1tk6 h GLU 158 Cb 0.59 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 1tk6 h GLU 158 CO 0.04 1.21 0.44 -0.07 -1.16 0.00 0.00 179.01 179.47 1tk6 h LEU 159 N -0.23 0.69 -0.83 1.33 4.07 -1.18 -2.00 115.31 117.17 1tk6 h LEU 159 Ca -0.13 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 1tk6 h LEU 159 Cb 1.57 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 43.15 1tk6 h LEU 159 CO 0.15 0.46 0.14 -0.33 -1.08 0.00 0.00 178.44 177.78 1tk6 h GLU 160 N 0.82 1.02 -0.42 1.13 5.08 -0.90 0.09 114.58 121.40 1tk6 h GLU 160 Ca 0.31 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1tk6 h GLU 160 Cb 0.11 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1tk6 h GLU 160 CO -0.15 0.91 0.27 0.22 -1.00 0.00 0.00 179.01 179.26 1tk6 h ASP 161 N 0.97 0.50 -0.63 1.42 1.82 -0.91 0.89 116.42 120.47 1tk6 h ASP 161 Ca 0.20 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 1tk6 h ASP 161 Cb 0.37 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1tk6 h ASP 161 CO 0.00 0.39 0.21 0.44 -1.61 0.00 0.00 179.24 178.68 1tk6 h ASP 162 N 0.56 0.90 -0.93 2.28 3.32 -0.97 -2.11 116.42 119.48 1tk6 h ASP 162 Ca 0.15 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1tk6 h ASP 162 Cb -0.03 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.23 1tk6 h ASP 162 CO -0.03 0.86 0.60 0.00 -1.72 0.00 0.00 179.24 178.95 1tk6 h ALA 163 N 1.08 1.23 -0.43 3.45 0.00 -0.74 -1.72 119.26 122.13 1tk6 h ALA 163 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1tk6 h ALA 163 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1tk6 h ALA 163 CO -0.01 0.45 -0.18 1.25 0.00 0.00 0.00 179.25 180.77 1tk6 h HIS 164 N 1.15 0.94 -0.75 0.00 -0.00 -0.47 -1.61 115.15 114.40 1tk6 h HIS 164 Ca 0.37 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1tk6 h HIS 164 Cb 0.03 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.17 1tk6 h HIS 164 CO -0.01 0.94 0.35 0.45 -0.00 0.00 0.00 177.93 179.66 1tk6 h HIS 165 N 0.74 1.10 -0.43 5.26 -0.00 -0.95 -0.47 115.15 120.39 1tk6 h HIS 165 Ca 0.11 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.31 1tk6 h HIS 165 Cb 0.69 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1tk6 h HIS 165 CO 0.04 0.81 -0.15 0.82 -0.00 0.00 0.00 177.93 179.45 1tk6 h ILE 166 N 1.07 1.27 -0.66 2.45 2.04 -0.93 -0.73 117.51 122.02 1tk6 h ILE 166 Ca 0.26 -1.28 0.08 0.00 1.00 0.00 0.00 64.86 64.92 1tk6 h ILE 166 Cb 0.14 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1tk6 h ILE 166 CO -0.03 0.43 0.34 -0.08 0.00 0.00 0.00 178.15 178.81 1tk6 h GLU 167 N 0.69 0.58 -0.62 2.37 4.81 -0.91 -1.73 114.58 119.78 1tk6 h GLU 167 Ca 0.10 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1tk6 h GLU 167 Cb 0.70 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1tk6 h GLU 167 CO 0.05 0.39 0.10 0.45 -0.73 0.00 0.00 179.01 179.26 1tk6 h HIS 168 N 0.60 1.08 -0.21 0.92 3.86 -0.65 -2.20 115.15 118.55 1tk6 h HIS 168 Ca 0.31 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1tk6 h HIS 168 Cb 0.28 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1tk6 h HIS 168 CO -0.10 0.91 0.16 1.88 0.86 0.00 0.00 177.93 181.64 1tk6 h TYR 169 N 0.96 0.00 -0.01 2.45 0.05 -0.44 -2.50 116.97 117.47 1tk6 h TYR 169 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1tk6 h TYR 169 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1tk6 h TYR 169 CO 0.03 0.00 -0.27 1.28 -1.05 0.00 0.00 178.16 178.15 1tk6 n LEU 170 N -4.39 1.34 -4.76 3.88 4.77 -0.72 -4.94 117.00 112.18 1tk6 n LEU 170 Ca 0.02 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 1tk6 n LEU 170 Cb 0.30 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1tk6 n LEU 170 CO 0.34 0.25 0.75 -1.61 -1.33 0.00 0.00 177.39 175.79 1tk6 s GLU 171 N -2.43 2.68 -1.37 3.23 0.41 -0.95 -4.90 118.70 115.37 1tk6 s GLU 171 Ca 0.25 1.44 -0.07 0.00 -0.41 0.00 0.00 54.97 56.18 1tk6 s GLU 171 Cb 0.19 -1.93 0.09 0.00 -1.78 0.00 0.00 34.13 30.70 1tk6 s GLU 171 CO 0.51 -1.35 2.38 -0.40 -0.49 0.00 0.00 175.26 175.90 1tk6 n ASP 172 N -2.49 7.42 -3.99 -0.19 5.75 -1.26 -4.83 116.55 116.96 1tk6 n ASP 172 Ca 0.11 -3.03 -0.08 0.00 -0.01 0.00 0.00 54.79 51.78 1tk6 n ASP 172 Cb 0.52 -1.43 -0.09 0.00 -1.03 0.00 0.00 41.12 39.09 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 0.89 0.33 -0.06 -1.12 2.15 -1.26 -5.16 116.67 112.43 1tk6 s ASP 173 Ca 0.54 -0.82 -0.29 0.00 0.43 0.00 0.00 52.55 52.40 1tk6 s ASP 173 Cb 0.16 0.25 0.11 0.00 -0.30 0.00 0.00 42.92 43.14 1tk6 s ASP 173 CO -0.07 -0.62 0.92 0.28 -0.17 0.00 0.00 175.17 175.51 1tk6 s THR 174 N -3.68 0.00 -0.54 1.71 -1.32 -1.26 -5.01 115.64 105.55 1tk6 s THR 174 Ca 0.04 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.76 1tk6 s THR 174 Cb 0.05 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.36 1tk6 s THR 174 CO -0.09 0.00 1.65 -0.07 -2.21 0.00 0.00 174.62 173.90 1tk6 h LEU 175 N 2.23 0.00 -9.91 9.08 3.38 -2.03 -3.46 115.31 114.60 1tk6 h LEU 175 Ca -0.21 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.24 1tk6 h LEU 175 Cb 1.21 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.03 1tk6 h LEU 175 CO 0.31 0.00 0.62 -0.69 0.09 0.00 0.00 178.44 178.77 1tk6 s VAL 176 N -3.18 2.70 0.24 1.22 1.01 -1.26 -5.02 120.40 116.11 1tk6 s VAL 176 Ca 0.08 0.67 0.11 0.00 0.00 0.00 0.00 61.98 62.83 1tk6 s VAL 176 Cb 0.08 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1tk6 s VAL 176 CO 0.65 0.13 -0.20 0.42 0.00 0.00 0.00 175.10 176.10 1tk6 s THR 177 N -1.21 2.27 0.36 3.92 -4.23 -1.26 -5.02 115.64 110.47 1tk6 s THR 177 Ca 0.53 -2.27 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1tk6 s THR 177 Cb -0.38 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1tk6 s THR 177 CO 0.50 -0.38 1.96 -0.61 -0.54 0.00 0.00 174.62 175.56 1tk6 h GLN 178 N 2.57 0.72 -0.88 3.99 5.75 -1.99 -0.81 115.11 124.46 1tk6 h GLN 178 Ca -0.41 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.12 1tk6 h GLN 178 Cb 1.24 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.57 1tk6 h GLN 178 CO 0.57 0.48 0.57 0.78 -2.65 0.00 0.00 178.83 178.58 1tk6 h GLY 179 N 0.74 1.27 2.00 2.39 0.00 -2.01 -0.40 103.07 107.06 1tk6 h GLY 179 Ca 0.31 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1tk6 h GLY 179 CO -0.10 0.27 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 1tk6 h ALA 180 N 1.53 1.00 0.00 3.60 0.00 -1.58 -3.55 119.26 120.25 1tk6 h ALA 180 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1tk6 h ALA 180 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tk6 h ALA 180 CO -0.15 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.39