#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f s SER 2 N 0.00 6.45 -0.15 7.83 1.04 -1.26 -5.01 113.70 122.59 1u6f s SER 2 Ca 0.00 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.44 1u6f s SER 2 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 1u6f s SER 2 CO 0.00 -1.40 0.01 -1.58 0.98 0.00 0.00 173.24 171.25 1u6f s GLN 3 N 4.69 3.69 -0.33 4.02 0.74 -1.26 -5.06 119.66 126.15 1u6f s GLN 3 Ca 0.41 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 55.10 1u6f s GLN 3 Cb -0.08 -3.01 -0.01 0.00 1.10 0.00 0.00 33.01 31.00 1u6f s GLN 3 CO 0.25 0.33 1.65 0.96 -0.55 0.00 0.00 175.29 177.93 1u6f s ILE 4 N 0.16 3.65 0.00 -2.34 -4.36 -1.26 -5.00 121.20 112.05 1u6f s ILE 4 Ca 0.01 0.68 0.00 0.00 -0.26 0.00 0.00 60.65 61.08 1u6f s ILE 4 Cb -0.13 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.76 1u6f s ILE 4 CO 0.02 -0.48 0.00 -0.81 0.24 0.00 0.00 174.94 173.91 1u6f n PRO 5 N 8.15 -0.87 -2.58 0.37 -0.04 -1.26 -4.84 135.00 133.92 1u6f n PRO 5 Ca 0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1u6f n PRO 5 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 1u6f n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u6f n LEU 6 N 0.00 -6.18 0.00 1.53 4.32 -1.26 -5.03 117.00 110.38 1u6f n LEU 6 Ca 0.00 2.27 0.00 0.00 -0.02 0.00 0.00 56.01 58.26 1u6f n LEU 6 Cb 0.00 -3.28 0.00 0.00 -1.62 0.00 0.00 43.42 38.52 1u6f n LEU 6 CO 0.00 -4.00 0.00 0.52 -1.22 0.00 0.00 177.39 172.69 1u6f n VAL 7 N 1.65 0.00 -2.82 4.08 0.31 -1.26 -5.04 118.33 115.25 1u6f n VAL 7 Ca -0.41 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1u6f n VAL 7 Cb 0.64 -0.18 0.03 0.00 -0.91 0.00 0.00 33.84 33.41 1u6f n VAL 7 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1u6f n SER 8 N -2.19 -2.59 -0.04 4.52 2.88 -1.26 -4.99 113.62 109.95 1u6f n SER 8 Ca 0.00 -3.15 -0.08 0.00 -1.33 0.00 0.00 58.87 54.30 1u6f n SER 8 Cb 0.00 1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 64.91 1u6f n SER 8 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1u6f n GLN 9 N 1.86 0.19 -3.01 -1.46 -0.06 -1.26 -5.08 117.38 108.56 1u6f n GLN 9 Ca 0.12 0.07 -0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1u6f n GLN 9 Cb 0.60 -0.90 0.00 0.00 -4.06 0.00 0.00 30.24 25.88 1u6f n GLN 9 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1u6f n TYR 10 N -3.22 -2.89 -0.09 3.69 4.19 -1.26 -4.99 117.16 112.59 1u6f n TYR 10 Ca -0.17 1.10 -0.16 0.00 3.31 0.00 0.00 57.90 61.99 1u6f n TYR 10 Cb 0.63 -4.03 -0.09 0.00 0.49 0.00 0.00 39.34 36.34 1u6f n TYR 10 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1u6f h ASP 11 N 0.44 0.00 -2.44 2.98 1.82 -2.05 -3.48 116.42 113.69 1u6f h ASP 11 Ca -0.00 -0.45 -0.47 0.00 -0.39 0.00 0.00 57.03 55.72 1u6f h ASP 11 Cb 1.00 0.00 0.23 0.00 0.68 0.00 0.00 39.33 41.24 1u6f h ASP 11 CO 0.29 1.21 -1.04 -2.65 -1.61 0.00 0.00 179.24 175.44 1u6f n PRO 12 N -4.52 -1.41 -4.24 0.28 -0.02 -1.26 -5.05 135.00 118.78 1u6f n PRO 12 Ca -0.22 -0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 60.61 1u6f n PRO 12 Cb 0.52 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1u6f n PRO 12 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u6f n TYR 13 N -4.30 0.71 -2.01 6.00 4.01 -1.26 -5.17 117.16 115.15 1u6f n TYR 13 Ca 0.01 -2.21 0.00 0.00 -0.16 0.00 0.00 57.90 55.54 1u6f n TYR 13 Cb 0.61 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1u6f n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u6f n GLY 14 N -0.31 3.18 0.08 2.72 0.00 -1.26 -5.05 105.19 104.56 1u6f n GLY 14 Ca -0.14 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 1u6f n GLY 14 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6f n GLN 15 N 0.00 0.63 -2.46 1.61 6.02 -1.26 -5.06 117.38 116.86 1u6f n GLN 15 Ca 0.00 0.28 -0.04 0.00 -0.01 0.00 0.00 57.00 57.24 1u6f n GLN 15 Cb 0.00 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 1u6f n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1u6f n THR 16 N -3.01-11.35 -3.43 5.09 -1.04 -1.26 -5.08 114.28 94.20 1u6f n THR 16 Ca -0.15 2.21 0.01 0.00 -2.04 0.00 0.00 64.05 64.08 1u6f n THR 16 Cb 0.99 -6.25 -0.03 0.00 -1.82 0.00 0.00 70.33 63.23 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f s ALA 17 N -0.79 -2.24 0.19 2.41 0.00 -1.26 -5.17 121.76 114.91 1u6f s ALA 17 Ca -0.19 2.11 0.02 0.00 0.00 0.00 0.00 51.96 53.90 1u6f s ALA 17 Cb 0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1u6f s ALA 17 CO 0.69 -1.09 0.35 -0.65 0.00 0.00 0.00 175.76 175.05 1u6f s GLN 18 N 2.85 3.47 -0.20 0.00 -0.21 -1.26 -5.10 119.66 119.21 1u6f s GLN 18 Ca 0.04 -0.51 -0.04 0.00 0.02 0.00 0.00 55.36 54.87 1u6f s GLN 18 Cb -0.12 -2.89 0.06 0.00 1.00 0.00 0.00 33.01 31.06 1u6f s GLN 18 CO -0.19 0.44 0.06 -0.51 -2.12 0.00 0.00 175.29 172.97 1u6f s LEU 19 N -3.44 0.90 -0.23 2.90 1.43 -1.26 -5.11 118.68 113.86 1u6f s LEU 19 Ca 0.36 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 1u6f s LEU 19 Cb -0.11 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.65 1u6f s LEU 19 CO 0.29 -0.34 1.00 -1.10 0.23 0.00 0.00 176.35 176.43 1u6f s GLN 20 N 1.96 4.24 -0.12 1.70 -0.21 -1.26 -4.89 119.66 121.08 1u6f s GLN 20 Ca 0.01 1.26 -0.04 0.00 0.02 0.00 0.00 55.36 56.62 1u6f s GLN 20 Cb -0.17 -3.64 -0.06 0.00 1.00 0.00 0.00 33.01 30.14 1u6f s GLN 20 CO -0.11 -0.61 -0.14 1.04 -2.12 0.00 0.00 175.29 173.34 1u6f n GLN 21 N 6.26 0.28 -3.96 2.91 6.02 -1.26 -4.96 117.38 122.68 1u6f n GLN 21 Ca 0.11 0.10 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 1u6f n GLN 21 Cb 0.46 -1.05 -0.14 0.00 1.02 0.00 0.00 30.24 30.53 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u6f s LEU 22 N -6.35 3.52 0.00 1.08 1.02 -1.26 -5.10 118.68 111.59 1u6f s LEU 22 Ca -0.17 -1.13 0.04 0.00 0.02 0.00 0.00 54.13 52.89 1u6f s LEU 22 Cb 0.06 -1.66 0.04 0.00 0.02 0.00 0.00 46.19 44.65 1u6f s LEU 22 CO 0.24 -0.19 0.33 0.00 0.02 0.00 0.00 176.35 176.75 1u6f n GLN 23 N 4.61 0.81 -3.26 1.70 0.00 -1.26 -5.09 117.38 114.89 1u6f n GLN 23 Ca -0.15 -2.93 -0.43 0.00 0.00 0.00 0.00 57.00 53.49 1u6f n GLN 23 Cb 0.45 0.34 -0.08 0.00 0.00 0.00 0.00 30.24 30.95 1u6f n GLN 23 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1u6f s GLN 24 N -3.89 3.12 0.39 2.61 1.11 -1.26 -5.06 119.66 116.68 1u6f s GLN 24 Ca 0.25 -0.75 0.08 0.00 0.01 0.00 0.00 55.36 54.95 1u6f s GLN 24 Cb -0.02 -4.00 -0.03 0.00 -1.01 0.00 0.00 33.01 27.95 1u6f s GLN 24 CO 0.16 -0.95 0.27 1.14 0.01 0.00 0.00 175.29 175.92 1u6f s GLN 25 N 2.31 2.46 0.00 2.91 -2.07 -1.26 -4.99 119.66 119.02 1u6f s GLN 25 Ca 0.14 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 52.11 1u6f s GLN 25 Cb -0.17 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.49 1u6f s GLN 25 CO 0.14 -0.07 0.00 0.94 -1.32 0.00 0.00 175.29 174.98 1u6f n GLN 26 N -1.37 0.00 0.00 9.60 -0.06 -1.26 -5.01 117.38 119.28 1u6f n GLN 26 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1u6f n GLN 26 Cb 0.62 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.79 1u6f n GLN 26 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 1u6f h GLN 27 N 0.00 -0.12 -3.35 3.69 4.15 -2.06 -3.51 115.11 113.91 1u6f h GLN 27 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1u6f h GLN 27 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1u6f h GLN 27 CO 0.00 -0.08 -0.83 0.94 -1.93 0.00 0.00 178.83 176.93 1u6f n GLN 28 N -4.86 -4.03 -0.73 1.69 7.27 -1.26 -4.80 117.38 110.66 1u6f n GLN 28 Ca -0.02 3.03 0.01 0.00 0.07 0.00 0.00 57.00 60.10 1u6f n GLN 28 Cb 0.05 -3.50 0.27 0.00 2.41 0.00 0.00 30.24 29.48 1u6f n GLN 28 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1u6f n HIS 29 N -1.28 1.52 -3.42 3.69 8.25 -1.26 -4.98 115.22 117.74 1u6f n HIS 29 Ca 0.00 -1.13 -0.17 0.00 -0.26 0.00 0.00 57.72 56.17 1u6f n HIS 29 Cb 0.10 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 30.75 1u6f n HIS 29 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1u6f n ILE 30 N -0.47 -7.37 -2.00 1.59 -0.00 -1.26 -4.95 119.36 104.89 1u6f n ILE 30 Ca 0.31 -0.58 -0.34 0.00 -0.00 0.00 0.00 62.75 62.13 1u6f n ILE 30 Cb 1.10 -5.30 0.02 0.00 -0.00 0.00 0.00 39.64 35.47 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1u6f s PRO 31 N -4.51 3.10 -0.85 0.38 0.04 -1.26 -4.85 135.00 127.05 1u6f s PRO 31 Ca 0.22 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 1u6f s PRO 31 Cb -0.06 -1.99 -0.20 0.00 0.04 0.00 0.00 34.50 32.29 1u6f s PRO 31 CO 0.81 -1.02 2.28 -2.30 0.04 0.00 0.00 177.00 176.81 1u6f n PRO 32 N -1.90 0.35 -3.87 0.56 -0.02 -1.26 -4.88 135.00 123.97 1u6f n PRO 32 Ca 0.11 -0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 60.72 1u6f n PRO 32 Cb 0.52 -2.84 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 1u6f n PRO 32 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u6f s THR 33 N 10.20 2.25 -0.60 3.45 -4.23 -1.26 -5.02 115.64 120.44 1u6f s THR 33 Ca 1.01 -1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 59.74 1u6f s THR 33 Cb -0.34 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.64 1u6f s THR 33 CO 0.23 0.00 2.42 0.00 -0.54 0.00 0.00 174.62 176.73 1u6f n GLN 34 N -1.48 0.86 -1.39 3.99 6.02 -1.26 -4.82 117.38 119.30 1u6f n GLN 34 Ca 0.00 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.00 56.34 1u6f n GLN 34 Cb 0.64 -3.49 -0.04 0.00 1.02 0.00 0.00 30.24 28.37 1u6f n GLN 34 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1u6f n MET 35 N 8.92 3.71 -2.82 -1.09 1.56 -1.26 -4.70 117.12 121.44 1u6f n MET 35 Ca 0.41 -2.31 -0.04 0.00 -0.27 0.00 0.00 57.70 55.49 1u6f n MET 35 Cb 0.50 -2.71 0.01 0.00 2.15 0.00 0.00 33.22 33.16 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1u6f n ASN 36 N 3.20 -7.85 -4.57 6.12 4.13 -1.26 -4.78 115.26 110.25 1u6f n ASN 36 Ca 0.74 1.01 -0.27 0.00 1.68 0.00 0.00 54.58 57.73 1u6f n ASN 36 Cb 0.28 -5.01 -0.05 0.00 -1.54 0.00 0.00 39.78 33.45 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1u6f s PRO 37 N -1.97 2.56 0.04 3.52 0.04 -1.26 -4.95 135.00 132.97 1u6f s PRO 37 Ca 0.10 -0.63 -0.06 0.00 0.04 0.00 0.00 61.00 60.45 1u6f s PRO 37 Cb -0.03 -5.14 -0.05 0.00 0.04 0.00 0.00 34.50 29.33 1u6f s PRO 37 CO 0.74 -3.58 0.30 -1.21 0.04 0.00 0.00 177.00 173.29 1u6f s GLU 38 N 6.77 3.60 0.64 4.56 0.41 -1.26 -4.98 118.70 128.43 1u6f s GLU 38 Ca 0.69 -0.08 0.38 0.00 -0.41 0.00 0.00 54.97 55.55 1u6f s GLU 38 Cb -0.04 -3.03 2.06 0.00 -1.78 0.00 0.00 34.13 31.34 1u6f s GLU 38 CO 0.04 0.60 2.16 -1.35 -0.49 0.00 0.00 175.26 176.23 1u6f h PRO 39 N 3.68 0.00 -0.12 0.39 0.11 -1.92 -2.08 132.00 132.05 1u6f h PRO 39 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1u6f h PRO 39 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1u6f h PRO 39 CO 0.68 0.00 0.28 0.38 -0.21 0.00 0.00 178.00 179.13 1u6f h ASP 40 N 0.00 0.00 0.00 -2.05 3.04 -1.95 -3.33 116.42 112.14 1u6f h ASP 40 Ca 0.00 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 53.22 1u6f h ASP 40 Cb 0.23 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.58 1u6f h ASP 40 CO 0.00 0.00 2.05 1.33 -2.04 0.00 0.00 179.24 180.58 1u6f n VAL 41 N -3.28 1.38 0.09 4.15 0.24 -0.79 -4.52 118.33 115.60 1u6f n VAL 41 Ca 0.00 -1.12 -0.08 0.00 -2.04 0.00 0.00 64.34 61.11 1u6f n VAL 41 Cb 0.37 -2.18 -0.03 0.00 -1.47 0.00 0.00 33.84 30.54 1u6f n VAL 41 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1u6f h LEU 42 N 13.89 0.16 0.00 1.34 3.38 -1.89 -3.11 115.31 129.08 1u6f h LEU 42 Ca 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1u6f h LEU 42 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1u6f h LEU 42 CO 1.87 0.98 0.00 -2.11 0.09 0.00 0.00 178.44 179.27 1u6f n ARG 43 N -3.58 0.34 -2.33 1.13 1.85 -1.26 -4.62 116.66 108.19 1u6f n ARG 43 Ca -0.03 0.09 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 1u6f n ARG 43 Cb 0.84 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.72 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1u6f s ASN 44 N -2.43 6.19 -0.23 2.89 3.04 -1.17 0.32 114.94 123.55 1u6f s ASN 44 Ca 0.20 0.66 -0.05 0.00 0.04 0.00 0.00 52.86 53.71 1u6f s ASN 44 Cb 0.12 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.28 1u6f s ASN 44 CO 0.26 -1.59 -0.02 -0.76 -3.04 0.00 0.00 177.10 171.95 1u6f s LEU 45 N 5.90 3.02 -0.40 3.21 2.01 0.32 -2.34 118.68 130.40 1u6f s LEU 45 Ca 0.60 -0.37 -0.21 0.00 0.01 0.00 0.00 54.13 54.17 1u6f s LEU 45 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 46.19 44.31 1u6f s LEU 45 CO 0.30 -0.03 0.65 -0.32 1.01 0.00 0.00 176.35 177.96 1u6f s MET 46 N 1.50 3.46 -0.16 1.70 -2.45 0.40 0.11 119.30 123.86 1u6f s MET 46 Ca 0.06 -0.18 -0.07 0.00 -1.25 0.00 0.00 55.69 54.25 1u6f s MET 46 Cb -0.14 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 32.01 1u6f s MET 46 CO -0.02 -0.90 0.07 0.14 1.05 0.00 0.00 175.02 175.36 1u6f s VAL 47 N 2.81 4.90 -0.02 10.11 -7.23 0.48 -0.11 120.40 131.33 1u6f s VAL 47 Ca 0.24 -0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.42 1u6f s VAL 47 Cb -0.14 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.63 1u6f s VAL 47 CO 0.18 0.50 -0.04 0.21 -0.31 0.00 0.00 175.10 175.64 1u6f s ASN 48 N 0.00 0.69 0.30 4.85 2.47 0.13 0.14 114.94 123.52 1u6f s ASN 48 Ca 0.07 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.25 1u6f s ASN 48 Cb -0.12 -0.23 0.00 0.00 -1.45 0.00 0.00 41.25 39.45 1u6f s ASN 48 CO 0.01 -0.01 0.00 0.00 -3.72 0.00 0.00 177.10 173.38 1u6f n TYR 49 N 3.54 -3.80 -4.07 0.43 4.19 -1.26 0.12 117.16 116.32 1u6f n TYR 49 Ca -0.20 1.02 -0.23 0.00 3.31 0.00 0.00 57.90 61.80 1u6f n TYR 49 Cb 0.54 2.70 -0.04 0.00 0.49 0.00 0.00 39.34 43.03 1u6f n TYR 49 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1u6f s ILE 50 N -1.70 4.67 0.00 2.97 -4.36 -1.26 -4.77 121.20 116.74 1u6f s ILE 50 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 1u6f s ILE 50 Cb 0.00 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1u6f s ILE 50 CO 0.00 -0.28 0.00 -0.81 0.24 0.00 0.00 174.94 174.09 1u6f n PRO 51 N -1.01 0.00 0.00 0.37 -0.04 -1.26 -4.31 135.00 128.75 1u6f n PRO 51 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1u6f n PRO 51 Cb 0.57 0.00 0.69 0.00 -0.04 0.00 0.00 33.50 34.72 1u6f n PRO 51 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1u6f n THR 52 N 0.00 0.09 0.21 0.52 -1.04 -1.26 -3.14 114.28 109.66 1u6f n THR 52 Ca 0.00 0.02 0.06 0.00 -2.04 0.00 0.00 64.05 62.09 1u6f n THR 52 Cb 0.00 -0.56 0.23 0.00 -1.82 0.00 0.00 70.33 68.17 1u6f n THR 52 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1u6f n THR 53 N -1.30 1.12 -2.03 12.58 -2.24 -1.26 -4.66 114.28 116.50 1u6f n THR 53 Ca 0.13 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 1u6f n THR 53 Cb 0.23 -0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u6f s VAL 54 N -1.71 3.50 -0.18 2.28 -7.23 -1.19 -4.89 120.40 110.98 1u6f s VAL 54 Ca 0.32 0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.97 1u6f s VAL 54 Cb 0.21 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 1u6f s VAL 54 CO 0.16 -0.48 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.54 1u6f s ASP 55 N 6.11 3.89 0.62 4.85 1.01 -1.26 -4.79 116.67 127.09 1u6f s ASP 55 Ca 0.77 -0.44 0.34 0.00 0.71 0.00 0.00 52.55 53.93 1u6f s ASP 55 Cb -0.21 -1.63 1.95 0.00 1.01 0.00 0.00 42.92 44.04 1u6f s ASP 55 CO 0.32 0.05 2.24 1.05 0.21 0.00 0.00 175.17 179.05 1u6f h GLU 56 N 7.57 0.00 0.34 8.23 4.11 -1.93 -2.60 114.58 130.30 1u6f h GLU 56 Ca -0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.05 1u6f h GLU 56 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1u6f h GLU 56 CO 0.59 0.00 -0.17 0.28 0.07 0.00 0.00 179.01 179.79 1u6f h VAL 57 N 0.00 0.49 -0.97 -1.06 2.07 -1.97 0.75 116.25 115.56 1u6f h VAL 57 Ca 0.02 -0.71 0.16 0.00 0.82 0.00 0.00 66.70 66.99 1u6f h VAL 57 Cb 0.13 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1u6f h VAL 57 CO -0.00 0.10 0.61 0.06 0.02 0.00 0.00 177.57 178.36 1u6f h GLN 58 N -0.94 0.78 0.00 1.57 3.07 -1.89 0.47 115.11 118.17 1u6f h GLN 58 Ca -0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 58.65 58.51 1u6f h GLN 58 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1u6f h GLN 58 CO 0.08 0.52 -0.64 -0.07 0.09 0.00 0.00 178.83 178.81 1u6f h LEU 59 N 0.81 0.00 0.51 0.06 3.38 -1.49 -2.27 115.31 116.30 1u6f h LEU 59 Ca 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1u6f h LEU 59 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1u6f h LEU 59 CO -0.29 0.64 -0.24 -0.09 0.09 0.00 0.00 178.44 178.55 1u6f h ARG 60 N 0.00 -0.65 -0.32 1.13 1.12 0.53 1.11 114.38 117.29 1u6f h ARG 60 Ca -0.01 0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 58.77 1u6f h ARG 60 Cb 1.41 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.52 1u6f h ARG 60 CO 0.08 -0.40 -0.35 1.96 -3.11 0.00 0.00 179.97 178.16 1u6f h GLN 61 N -0.76 0.80 -0.36 0.20 4.20 -1.23 0.49 115.11 118.44 1u6f h GLN 61 Ca -0.07 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.11 1u6f h GLN 61 Cb 0.56 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1u6f h GLN 61 CO 0.11 1.07 -0.13 1.25 -0.67 0.00 0.00 178.83 180.46 1u6f h LEU 62 N 0.58 0.74 0.07 1.46 5.85 -1.37 -2.20 115.31 120.43 1u6f h LEU 62 Ca 0.05 -0.38 -0.19 0.00 0.84 0.00 0.00 57.88 58.19 1u6f h LEU 62 Cb 0.93 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1u6f h LEU 62 CO 0.09 0.96 -0.99 -0.26 -0.34 0.00 0.00 178.44 177.89 1u6f h PHE 63 N 0.52 0.26 -0.08 1.25 -1.00 0.13 -3.34 116.94 114.68 1u6f h PHE 63 Ca 0.09 -0.19 0.02 0.00 2.81 0.00 0.00 57.97 60.70 1u6f h PHE 63 Cb 0.65 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.20 1u6f h PHE 63 CO 0.05 1.39 0.06 1.05 -1.61 0.00 0.00 178.31 179.25 1u6f h GLU 64 N -0.62 0.00 -0.11 1.51 4.11 -0.08 -1.86 114.58 117.53 1u6f h GLU 64 Ca -0.23 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.23 1u6f h GLU 64 Cb 1.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1u6f h GLU 64 CO -0.00 0.00 -0.06 -0.09 0.07 0.00 0.00 179.01 178.93 1u6f h ARG 65 N 0.00 -0.05 0.00 1.06 9.65 -1.51 -0.04 114.38 123.49 1u6f h ARG 65 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1u6f h ARG 65 Cb 0.16 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1u6f h ARG 65 CO -0.00 -0.04 0.00 0.66 2.80 0.00 0.00 179.97 183.39 1u6f n TYR 66 N -5.19 0.00 0.00 2.20 4.01 -0.86 -4.69 117.16 112.63 1u6f n TYR 66 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1u6f n TYR 66 Cb 0.12 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1u6f n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u6f n GLY 67 N 1.15 -0.86 3.55 2.72 0.00 -0.37 -4.72 105.19 106.65 1u6f n GLY 67 Ca 0.07 0.91 -0.60 0.00 0.00 0.00 0.00 46.02 46.40 1u6f n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u6f n PRO 68 N 0.00 0.47 -2.82 1.61 -0.02 -0.17 -3.89 135.00 130.18 1u6f n PRO 68 Ca 0.00 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 1u6f n PRO 68 Cb 0.00 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1u6f n PRO 68 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u6f s ILE 69 N 4.71 4.31 -0.15 4.25 -4.36 -1.26 -1.81 121.20 126.89 1u6f s ILE 69 Ca 1.08 1.64 -0.16 0.00 -0.26 0.00 0.00 60.65 62.96 1u6f s ILE 69 Cb -1.29 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 38.54 1u6f s ILE 69 CO 0.68 -0.05 -0.31 1.21 0.24 0.00 0.00 174.94 176.71 1u6f n GLU 70 N 0.06 0.47 -3.69 0.37 2.13 0.42 -4.71 120.64 115.68 1u6f n GLU 70 Ca 0.04 0.19 -0.38 0.00 0.66 0.00 0.00 57.16 57.66 1u6f n GLU 70 Cb 0.52 -1.32 -0.11 0.00 0.27 0.00 0.00 31.44 30.80 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1u6f s SER 71 N -5.97 5.43 -0.17 4.31 0.01 -0.91 -4.99 113.70 111.41 1u6f s SER 71 Ca -0.26 -1.56 -0.05 0.00 1.31 0.00 0.00 55.95 55.40 1u6f s SER 71 Cb 0.04 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1u6f s SER 71 CO 0.38 -0.49 -0.00 0.68 0.41 0.00 0.00 173.24 174.22 1u6f s VAL 72 N 1.34 4.13 0.21 3.43 -7.23 -1.26 0.76 120.40 121.78 1u6f s VAL 72 Ca 0.03 -0.27 -0.18 0.00 -1.81 0.00 0.00 61.98 59.75 1u6f s VAL 72 Cb -0.22 -2.83 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1u6f s VAL 72 CO 0.00 0.47 0.55 -0.75 -0.31 0.00 0.00 175.10 175.07 1u6f s LYS 73 N 0.51 1.47 0.04 4.82 2.20 0.24 -5.00 119.74 124.00 1u6f s LYS 73 Ca -0.01 -0.92 0.09 0.00 -0.36 0.00 0.00 55.97 54.77 1u6f s LYS 73 Cb -0.14 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1u6f s LYS 73 CO 0.02 -0.63 -0.25 0.42 -0.36 0.00 0.00 175.35 174.55 1u6f s ILE 74 N -3.89 2.00 -0.62 5.43 1.01 -1.26 0.21 121.20 124.08 1u6f s ILE 74 Ca 0.11 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.25 1u6f s ILE 74 Cb -0.02 -1.71 0.09 0.00 0.01 0.00 0.00 42.46 40.83 1u6f s ILE 74 CO -0.00 0.35 0.81 -0.69 0.00 0.00 0.00 174.94 175.41 1u6f s VAL 75 N -0.77 4.63 1.12 2.92 1.01 0.50 -4.76 120.40 125.05 1u6f s VAL 75 Ca 0.10 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1u6f s VAL 75 Cb -0.10 -4.57 0.25 0.00 0.00 0.00 0.00 36.38 31.96 1u6f s VAL 75 CO 0.02 -1.26 1.08 0.00 0.00 0.00 0.00 175.10 174.93 1u6f s ASP 77 N -3.44 7.03 0.00 0.00 1.11 -0.27 -4.78 116.67 116.32 1u6f s ASP 77 Ca 0.68 1.23 0.17 0.00 0.18 0.00 0.00 52.55 54.80 1u6f s ASP 77 Cb -0.16 -2.40 0.73 0.00 1.07 0.00 0.00 42.92 42.15 1u6f s ASP 77 CO 0.58 0.02 1.52 -1.14 1.18 0.00 0.00 175.17 177.34 1u6f n ARG 78 N 3.05 0.04 -0.03 8.23 0.63 -1.26 0.13 116.66 127.45 1u6f n ARG 78 Ca -0.04 0.20 -0.12 0.00 -0.92 0.00 0.00 57.85 56.97 1u6f n ARG 78 Cb 0.51 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.81 1u6f n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1u6f h GLU 79 N 0.00 -0.03 -0.00 -0.14 4.57 -1.97 -3.39 114.58 113.62 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1u6f h GLU 79 Cb 0.26 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1u6f h GLU 79 CO 0.00 0.68 -0.05 0.25 -1.18 0.00 0.00 179.01 178.71 1u6f n THR 80 N -4.73 0.00 -2.82 0.32 -2.24 -1.21 -5.00 114.28 98.60 1u6f n THR 80 Ca -0.09 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 61.01 1u6f n THR 80 Cb 0.36 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.66 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6f n ARG 81 N -0.25 -3.85 -3.87 -0.78 5.12 0.35 -4.99 116.66 108.39 1u6f n ARG 81 Ca 0.02 0.88 -0.23 0.00 -1.93 0.00 0.00 57.85 56.58 1u6f n ARG 81 Cb 0.07 -5.58 -0.05 0.00 -1.16 0.00 0.00 32.46 25.74 1u6f n ARG 81 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u6f s GLN 82 N -5.46 2.35 -0.29 5.56 -1.52 -1.22 -4.80 119.66 114.28 1u6f s GLN 82 Ca 0.21 -1.75 -0.28 0.00 -1.95 0.00 0.00 55.36 51.59 1u6f s GLN 82 Cb -0.09 -2.15 -0.03 0.00 -0.22 0.00 0.00 33.01 30.51 1u6f s GLN 82 CO 0.26 -0.23 1.98 -1.12 -0.25 0.00 0.00 175.29 175.94 1u6f s SER 83 N -4.05 5.70 0.00 5.90 0.01 -1.26 -1.11 113.70 118.88 1u6f s SER 83 Ca 0.43 1.54 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1u6f s SER 83 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1u6f s SER 83 CO 0.24 -1.83 0.00 -1.14 0.41 0.00 0.00 173.24 170.93 1u6f n ARG 84 N 8.57 0.00 0.00 12.44 0.63 -1.26 -4.36 116.66 132.68 1u6f n ARG 84 Ca 0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1u6f n ARG 84 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 0.00 0.60 3.83 5.14 0.00 -1.23 -4.02 105.19 109.52 1u6f n GLY 85 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 46.02 46.64 1u6f n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u6f s TYR 86 N 0.00 0.00 0.30 1.61 -0.85 -1.10 -4.70 117.35 112.62 1u6f s TYR 86 Ca 0.00 -0.26 0.10 0.00 -0.52 0.00 0.00 57.07 56.39 1u6f s TYR 86 Cb 0.00 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1u6f s TYR 86 CO 0.00 -0.62 -0.04 0.20 -1.52 0.00 0.00 175.55 173.57 1u6f s GLY 87 N -3.33 1.88 -0.10 5.49 0.00 0.37 0.19 107.32 111.82 1u6f s GLY 87 Ca 0.20 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 43.13 1u6f s GLY 87 CO 0.02 -1.85 -0.21 -1.36 0.00 0.00 0.00 173.10 169.70 1u6f s PHE 88 N -2.45 2.32 -0.07 1.90 0.40 0.57 0.18 117.98 120.83 1u6f s PHE 88 Ca 0.33 -1.00 -0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1u6f s PHE 88 Cb -0.03 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.94 1u6f s PHE 88 CO 0.19 -0.44 -0.01 0.54 0.70 0.00 0.00 175.22 176.20 1u6f s VAL 89 N 0.56 0.47 -0.33 -0.44 0.11 0.30 0.79 120.40 121.85 1u6f s VAL 89 Ca -0.15 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.84 1u6f s VAL 89 Cb -0.17 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1u6f s VAL 89 CO 0.05 0.27 0.21 -0.75 -3.33 0.00 0.00 175.10 171.55 1u6f s LYS 90 N 1.84 3.44 0.63 1.54 2.20 0.23 0.12 119.74 129.73 1u6f s LYS 90 Ca 0.04 -0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 1u6f s LYS 90 Cb -0.12 -3.73 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1u6f s LYS 90 CO -0.05 -0.44 1.09 -0.06 -0.36 0.00 0.00 175.35 175.52 1u6f s PHE 91 N 1.69 2.80 0.14 4.03 0.40 0.15 -0.44 117.98 126.75 1u6f s PHE 91 Ca 0.06 1.53 -0.24 0.00 -0.60 0.00 0.00 56.93 57.68 1u6f s PHE 91 Cb -0.17 -3.10 0.01 0.00 0.51 0.00 0.00 43.02 40.27 1u6f s PHE 91 CO 0.09 -1.42 1.62 1.96 0.70 0.00 0.00 175.22 178.18 1u6f h GLN 92 N 0.24 -0.29 -6.38 0.44 4.20 -1.64 -3.41 115.11 108.27 1u6f h GLN 92 Ca -0.47 0.02 -0.66 0.00 0.06 0.00 0.00 58.65 57.60 1u6f h GLN 92 Cb 1.23 0.07 -0.29 0.00 0.30 0.00 0.00 27.48 28.79 1u6f h GLN 92 CO 0.56 -0.19 -0.87 0.45 -0.67 0.00 0.00 178.83 178.10 1u6f s SER 93 N -5.00 2.81 0.57 1.46 0.15 -1.26 -4.95 113.70 107.48 1u6f s SER 93 Ca -0.15 -0.45 0.30 0.00 0.70 0.00 0.00 55.95 56.35 1u6f s SER 93 Cb 0.11 -0.30 1.45 0.00 -1.71 0.00 0.00 66.02 65.57 1u6f s SER 93 CO 0.67 0.28 1.86 1.23 1.20 0.00 0.00 173.24 178.48 1u6f h GLY 94 N 5.46 0.00 2.00 9.45 0.00 -1.90 0.81 103.07 118.89 1u6f h GLY 94 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1u6f h GLY 94 CO 0.47 0.00 -0.02 0.23 0.00 0.00 0.00 176.54 177.21 1u6f h SER 95 N 0.00 0.00 1.03 0.19 0.87 -1.94 -1.47 113.55 112.23 1u6f h SER 95 Ca 0.31 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.70 1u6f h SER 95 Cb 1.49 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.43 1u6f h SER 95 CO -0.00 0.02 -0.82 -1.28 -0.53 0.00 0.00 176.83 174.22 1u6f h SER 96 N 0.00 0.00 -0.86 6.23 0.87 0.27 -3.24 113.55 116.82 1u6f h SER 96 Ca -0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1u6f h SER 96 Cb 0.25 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1u6f h SER 96 CO 0.00 0.82 0.56 0.00 -0.53 0.00 0.00 176.83 177.68 1u6f h ALA 97 N 1.18 1.68 -0.78 6.23 0.00 -1.30 -0.84 119.26 125.43 1u6f h ALA 97 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1u6f h ALA 97 Cb 1.56 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1u6f h ALA 97 CO 0.11 0.15 0.49 1.96 0.00 0.00 0.00 179.25 181.96 1u6f h GLN 98 N 0.83 0.94 0.00 0.00 1.08 -1.64 0.19 115.11 116.51 1u6f h GLN 98 Ca 0.40 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.42 1u6f h GLN 98 Cb 0.42 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1u6f h GLN 98 CO -0.16 0.62 -0.58 1.96 -0.95 0.00 0.00 178.83 179.72 1u6f h GLN 99 N 0.96 0.00 0.26 1.46 4.20 -1.35 -1.84 115.11 118.81 1u6f h GLN 99 Ca 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1u6f h GLN 99 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1u6f h GLN 99 CO -0.11 0.58 -0.13 0.00 -0.67 0.00 0.00 178.83 178.50 1u6f h ALA 100 N 1.42 -0.36 0.00 3.87 0.00 -0.13 -1.88 119.26 122.19 1u6f h ALA 100 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1u6f h ALA 100 Cb 1.03 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1u6f h ALA 100 CO 0.08 -0.44 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 1u6f h ILE 101 N -0.88 0.64 -0.01 0.00 2.04 -0.70 0.97 117.51 119.58 1u6f h ILE 101 Ca -0.04 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1u6f h ILE 101 Cb 0.51 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1u6f h ILE 101 CO 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 178.15 178.12 1u6f h ALA 102 N 1.99 0.02 -0.01 1.87 0.00 -1.26 -3.27 119.26 118.60 1u6f h ALA 102 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u6f h ALA 102 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u6f h ALA 102 CO 0.00 -0.06 -0.07 0.41 0.00 0.00 0.00 179.25 179.54 1u6f n GLY 103 N 0.85 4.89 0.00 0.00 0.00 -0.71 -4.75 105.19 105.47 1u6f n GLY 103 Ca -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1u6f n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u6f n LEU 104 N -1.35 0.47 -4.67 0.99 4.77 0.33 -4.86 117.00 112.69 1u6f n LEU 104 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 1u6f n LEU 104 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1u6f n LEU 104 CO 0.01 0.08 1.46 0.21 -1.33 0.00 0.00 177.39 177.82 1u6f s ASN 105 N -2.87 6.56 -0.40 -1.43 2.47 -0.84 -1.13 114.94 117.29 1u6f s ASN 105 Ca 0.00 2.48 0.00 0.00 0.42 0.00 0.00 52.86 55.76 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1u6f s ASN 105 CO 0.00 -0.97 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 1u6f n GLY 106 N 4.27 0.62 3.52 1.21 0.00 0.27 -4.81 105.19 110.27 1u6f n GLY 106 Ca 0.18 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1u6f n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u6f n PHE 107 N -2.64 0.53 -2.20 1.61 7.35 -0.28 -4.49 117.46 117.34 1u6f n PHE 107 Ca -0.04 0.04 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 1u6f n PHE 107 Cb 0.25 -1.53 -0.04 0.00 0.35 0.00 0.00 39.48 38.51 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1u6f s ASN 108 N 5.29 5.54 0.52 -2.13 2.20 -1.26 -0.36 114.94 124.73 1u6f s ASN 108 Ca 1.17 -1.30 -0.05 0.00 -0.94 0.00 0.00 52.86 51.74 1u6f s ASN 108 Cb -0.61 -2.57 -0.02 0.00 -2.00 0.00 0.00 41.25 36.05 1u6f s ASN 108 CO 0.38 -2.45 0.81 -0.51 -2.94 0.00 0.00 177.10 172.40 1u6f s ILE 109 N 8.81 4.43 0.36 0.54 2.07 0.14 -4.96 121.20 132.60 1u6f s ILE 109 Ca 0.64 0.08 0.13 0.00 -1.41 0.00 0.00 60.65 60.08 1u6f s ILE 109 Cb -0.03 -3.70 0.35 0.00 0.13 0.00 0.00 42.46 39.21 1u6f s ILE 109 CO 0.03 -0.68 1.80 0.25 -1.91 0.00 0.00 174.94 174.42 1u6f h LEU 110 N 0.10 0.58 0.01 8.50 7.12 -2.04 -2.97 115.31 126.62 1u6f h LEU 110 Ca -0.46 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.62 1u6f h LEU 110 Cb 1.23 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1u6f h LEU 110 CO 0.61 0.19 -0.00 0.78 -0.13 0.00 0.00 178.44 179.89 1u6f h ASN 111 N 0.56 -0.01 -1.41 1.25 2.35 -1.98 -3.50 115.58 112.83 1u6f h ASN 111 Ca 0.55 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1u6f h ASN 111 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1u6f h ASN 111 CO -0.30 0.62 0.00 0.29 -1.65 0.00 0.00 177.43 176.39 1u6f n LYS 112 N -4.74 0.00 -4.03 0.81 4.76 -1.12 -5.15 118.16 108.68 1u6f n LYS 112 Ca -0.03 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.10 1u6f n LYS 112 Cb 0.13 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.16 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u6f s ARG 113 N -1.33 2.26 -0.86 1.97 3.52 -1.26 0.29 118.95 123.53 1u6f s ARG 113 Ca 0.00 -0.94 -0.25 0.00 -0.13 0.00 0.00 55.73 54.41 1u6f s ARG 113 Cb 0.00 -2.54 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1u6f s ARG 113 CO 0.00 -0.41 1.98 -0.51 -0.81 0.00 0.00 175.30 175.55 1u6f s LEU 114 N 1.32 3.16 -0.24 -0.88 1.02 0.51 -4.46 118.68 119.10 1u6f s LEU 114 Ca -0.02 -0.50 -0.28 0.00 0.02 0.00 0.00 54.13 53.35 1u6f s LEU 114 Cb -0.16 -2.56 0.01 0.00 0.02 0.00 0.00 46.19 43.50 1u6f s LEU 114 CO -0.08 -2.80 1.00 -0.75 0.02 0.00 0.00 176.35 173.73 1u6f s LYS 115 N 7.17 4.22 -0.14 1.70 2.20 0.12 0.94 119.74 135.95 1u6f s LYS 115 Ca 0.72 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 57.58 1u6f s LYS 115 Cb -0.08 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.02 -0.64 -0.19 0.08 -0.36 0.00 0.00 175.35 174.27 1u6f s VAL 116 N 3.17 1.87 0.00 4.02 1.01 -1.25 0.19 120.40 129.41 1u6f s VAL 116 Ca 0.42 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.60 1u6f s VAL 116 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1u6f s VAL 116 CO 0.07 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 1u6f s ALA 117 N 1.04 1.36 -0.22 5.51 0.00 0.84 -4.69 121.76 125.60 1u6f s ALA 117 Ca -0.03 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 1u6f s ALA 117 Cb -0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1u6f s ALA 117 CO -0.05 0.32 1.44 -0.51 0.00 0.00 0.00 175.76 176.96 1u6f s LEU 118 N -0.57 3.98 0.43 0.00 2.01 -1.26 0.15 118.68 123.42 1u6f s LEU 118 Ca 0.06 1.54 0.13 0.00 0.01 0.00 0.00 54.13 55.87 1u6f s LEU 118 Cb -0.07 -3.54 1.01 0.00 0.01 0.00 0.00 46.19 43.61 1u6f s LEU 118 CO -0.00 -1.07 1.98 0.00 1.01 0.00 0.00 176.35 178.27 1u6f h ALA 119 N 9.64 1.99 -3.00 4.21 0.00 -1.75 -3.42 119.26 126.93 1u6f h ALA 119 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1u6f h ALA 119 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1u6f h ALA 119 CO 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1u6f n ALA 120 N -2.51 0.00 -3.38 0.00 0.00 -1.26 -5.05 120.51 108.31 1u6f n ALA 120 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 1u6f n ALA 120 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 1u6f n ALA 120 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u6f s SER 121 N -1.78 1.39 0.00 0.00 0.01 -1.26 -5.08 113.70 106.97 1u6f s SER 121 Ca 0.00 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1u6f s SER 121 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1u6f s SER 121 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1u6f n GLY 122 N 4.46 1.68 0.10 3.44 0.00 -1.26 -4.81 105.19 108.81 1u6f n GLY 122 Ca 0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1u6f n GLY 122 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u6f n HIS 123 N 0.00 0.00 -1.85 1.61 8.25 -1.26 -4.94 115.22 117.03 1u6f n HIS 123 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1u6f n HIS 123 Cb 0.00 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 30.31 1u6f n HIS 123 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1u6f s GLN 124 N -2.40 4.18 -0.47 -0.41 2.00 -1.26 -3.81 119.66 117.48 1u6f s GLN 124 Ca -0.24 2.47 -0.12 0.00 -2.00 0.00 0.00 55.36 55.47 1u6f s GLN 124 Cb 0.07 -3.09 0.01 0.00 0.80 0.00 0.00 33.01 30.80 1u6f s GLN 124 CO 0.50 -0.62 0.59 -2.13 -0.50 0.00 0.00 175.29 173.13 1u6f n ARG 125 N 3.23 -2.05 -2.11 1.67 0.63 -1.26 -4.87 116.66 111.91 1u6f n ARG 125 Ca 0.12 1.92 -0.42 0.00 -0.92 0.00 0.00 57.85 58.54 1u6f n ARG 125 Cb 0.38 -5.49 -0.03 0.00 0.45 0.00 0.00 32.46 27.77 1u6f n ARG 125 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1u6f s PRO 126 N -2.63 3.29 -0.91 -0.14 0.04 -1.25 -4.90 135.00 128.50 1u6f s PRO 126 Ca 0.19 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1u6f s PRO 126 Cb -0.05 -4.18 -0.15 0.00 0.04 0.00 0.00 34.50 30.16 1u6f s PRO 126 CO 0.73 -1.92 2.25 0.20 0.04 0.00 0.00 177.00 178.29 1u6f s GLY 127 N 5.80 -0.76 0.28 0.56 0.00 -1.26 -4.91 107.32 107.03 1u6f s GLY 127 Ca 0.72 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 1u6f s GLY 127 CO 0.31 4.13 1.21 -0.42 0.00 0.00 0.00 173.10 178.33 1u6f s ILE 128 N 14.78 3.19 0.78 0.90 1.09 -1.26 -5.04 121.20 135.64 1u6f s ILE 128 Ca 0.86 1.15 -0.06 0.00 -1.10 0.00 0.00 60.65 61.50 1u6f s ILE 128 Cb -0.09 -3.73 0.14 0.00 -1.06 0.00 0.00 42.46 37.71 1u6f s ILE 128 CO 0.10 0.25 1.09 0.00 -0.10 0.00 0.00 174.94 176.28 1u6f s ALA 129 N -0.90 3.23 0.00 9.38 0.00 -1.26 -5.07 121.76 127.14 1u6f s ALA 129 Ca 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1u6f s ALA 129 Cb -0.35 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1u6f s ALA 129 CO 0.44 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1u6f n GLY 130 N -3.10 -0.17 2.77 0.00 0.00 -1.26 -5.11 105.19 98.31 1u6f n GLY 130 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f n ALA 131 N -2.42 -3.17 -2.25 4.61 0.00 -1.26 -5.07 120.51 110.95 1u6f n ALA 131 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 1u6f n ALA 131 Cb 0.00 -2.80 -0.10 0.00 0.00 0.00 0.00 19.45 16.55 1u6f n ALA 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u6f s VAL 132 N -2.24 0.00 0.00 0.00 -7.23 -1.26 -5.08 120.40 104.59 1u6f s VAL 132 Ca 0.16 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1u6f s VAL 132 Cb -0.05 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1u6f s VAL 132 CO 0.75 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.15 1u6f n GLY 133 N -0.29 0.00 1.53 2.32 0.00 -1.26 -5.01 105.19 102.48 1u6f n GLY 133 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1u6f n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u6f n ASP 134 N 0.00 3.26 0.00 1.61 2.03 -1.26 -4.85 116.55 117.34 1u6f n ASP 134 Ca 0.00 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.55 1u6f n ASP 134 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u6f n GLY 135 N -1.09 0.69 3.56 0.27 0.00 -1.26 -5.03 105.19 102.34 1u6f n GLY 135 Ca 0.42 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1u6f n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u6f s ASN 136 N -1.18 6.47 1.11 1.61 2.47 -1.26 -4.99 114.94 119.17 1u6f s ASN 136 Ca 0.00 -1.61 -0.12 0.00 0.42 0.00 0.00 52.86 51.55 1u6f s ASN 136 Cb 0.00 -2.57 0.25 0.00 -1.45 0.00 0.00 41.25 37.48 1u6f s ASN 136 CO 0.00 -1.54 1.05 -0.83 -3.72 0.00 0.00 177.10 172.07 1u6f s GLY 137 N 5.02 1.57 0.30 1.21 0.00 -1.26 -4.92 107.32 109.25 1u6f s GLY 137 Ca 0.49 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 45.28 1u6f s GLY 137 CO -0.06 0.65 1.69 -0.97 0.00 0.00 0.00 173.10 174.42 1u6f h TYR 138 N -2.45 0.17 0.00 1.90 -1.99 -2.08 -3.55 116.97 108.97 1u6f h TYR 138 Ca -0.58 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.10 1u6f h TYR 138 Cb 1.32 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 40.01 1u6f h TYR 138 CO 0.31 0.58 0.00 1.28 -0.00 0.00 0.00 178.16 180.33