#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 -0.89 0.37 6.12 0.01 -1.26 -5.17 113.70 112.88 1u6f s SER 2 Ca 0.00 0.63 0.08 0.00 1.31 0.00 0.00 55.95 57.97 1u6f s SER 2 Cb 0.00 1.78 -0.03 0.00 0.21 0.00 0.00 66.02 67.98 1u6f s SER 2 CO 0.00 -0.17 0.27 -1.10 0.41 0.00 0.00 173.24 172.66 1u6f s GLN 3 N 2.87 2.52 -0.04 12.44 -0.21 -1.26 -5.15 119.66 130.83 1u6f s GLN 3 Ca 0.08 -1.49 -0.09 0.00 0.02 0.00 0.00 55.36 53.87 1u6f s GLN 3 Cb -0.12 -2.32 0.02 0.00 1.00 0.00 0.00 33.01 31.59 1u6f s GLN 3 CO -0.16 -0.02 0.22 0.96 -2.12 0.00 0.00 175.29 174.17 1u6f s ILE 4 N -2.42 0.04 -1.09 1.08 -4.36 -1.26 -5.06 121.20 108.13 1u6f s ILE 4 Ca 0.43 -0.33 -0.09 0.00 -0.26 0.00 0.00 60.65 60.39 1u6f s ILE 4 Cb -0.03 -0.43 -0.07 0.00 1.25 0.00 0.00 42.46 43.18 1u6f s ILE 4 CO 0.26 -0.18 2.28 -0.81 0.24 0.00 0.00 174.94 176.73 1u6f n PRO 5 N 2.08 2.42 0.07 0.37 -0.04 -1.26 -3.80 135.00 134.84 1u6f n PRO 5 Ca -0.18 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1u6f n PRO 5 Cb 0.57 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 4.62 -0.76 -0.64 1.53 4.77 -1.26 -5.02 117.00 120.23 1u6f n LEU 6 Ca 0.53 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.67 1u6f n LEU 6 Cb 0.21 0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 42.17 1u6f n LEU 6 CO 0.80 -0.41 -0.08 0.52 -1.33 0.00 0.00 177.39 176.89 1u6f n VAL 7 N -2.83 0.00 0.00 4.08 0.31 -1.25 -4.88 118.33 113.76 1u6f n VAL 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1u6f n VAL 7 Cb 0.00 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1u6f n SER 8 N -0.57 0.00 -4.04 4.52 7.64 -1.26 -5.07 113.62 114.85 1u6f n SER 8 Ca -0.08 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.39 1u6f n SER 8 Cb 0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1u6f n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u6f n GLN 9 N -0.31 3.79 -0.11 1.43 7.27 -1.26 -4.76 117.38 123.42 1u6f n GLN 9 Ca 0.00 -4.54 -0.24 0.00 0.07 0.00 0.00 57.00 52.29 1u6f n GLN 9 Cb 0.00 -2.48 -0.11 0.00 2.41 0.00 0.00 30.24 30.06 1u6f n GLN 9 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1u6f n TYR 10 N 1.73 0.71 -1.42 3.69 4.19 -1.26 -5.11 117.16 119.69 1u6f n TYR 10 Ca 0.25 0.30 0.00 0.00 3.31 0.00 0.00 57.90 61.76 1u6f n TYR 10 Cb 0.36 -1.07 0.00 0.00 0.49 0.00 0.00 39.34 39.12 1u6f n TYR 10 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1u6f n ASP 11 N -4.34 -7.71 -4.72 2.98 2.03 -1.26 -4.94 116.55 98.59 1u6f n ASP 11 Ca -0.39 1.39 -0.29 0.00 0.52 0.00 0.00 54.79 56.02 1u6f n ASP 11 Cb 0.76 -4.33 0.15 0.00 -0.72 0.00 0.00 41.12 36.98 1u6f n ASP 11 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1u6f s PRO 12 N -4.58 0.88 -0.31 -0.67 0.04 -1.26 -5.02 135.00 124.09 1u6f s PRO 12 Ca 0.00 0.56 -0.15 0.00 0.04 0.00 0.00 61.00 61.45 1u6f s PRO 12 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1u6f s PRO 12 CO 0.00 -2.43 0.36 -0.47 0.04 0.00 0.00 177.00 174.50 1u6f s TYR 13 N -3.03 3.22 0.00 0.56 5.04 -1.26 -4.62 117.35 117.27 1u6f s TYR 13 Ca 0.64 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1u6f s TYR 13 Cb -0.17 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.52 1u6f s TYR 13 CO 0.56 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.86 1u6f n GLY 14 N 4.84 0.18 0.79 8.97 0.00 -1.26 -5.18 105.19 113.54 1u6f n GLY 14 Ca -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1u6f n GLY 14 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u6f n GLN 15 N 0.00 0.79 -3.55 1.61 7.27 -1.26 -4.88 117.38 117.36 1u6f n GLN 15 Ca 0.00 -0.82 -0.23 0.00 0.07 0.00 0.00 57.00 56.02 1u6f n GLN 15 Cb 0.00 0.46 0.08 0.00 2.41 0.00 0.00 30.24 33.19 1u6f n GLN 15 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1u6f n THR 16 N -0.21 -3.16 -1.41 1.69 -1.04 -1.26 -4.70 114.28 104.18 1u6f n THR 16 Ca -0.01 -0.04 0.17 0.00 -2.04 0.00 0.00 64.05 62.13 1u6f n THR 16 Cb 0.15 -4.01 -0.08 0.00 -1.82 0.00 0.00 70.33 64.56 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f n ALA 17 N -4.86 -3.69 -2.58 2.41 0.00 -1.26 -4.93 120.51 105.60 1u6f n ALA 17 Ca -0.02 0.83 -0.30 0.00 0.00 0.00 0.00 53.44 53.95 1u6f n ALA 17 Cb 0.57 -1.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 1u6f n ALA 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1u6f s GLN 18 N -3.87 2.26 -0.01 0.00 0.74 -1.26 -5.07 119.66 112.44 1u6f s GLN 18 Ca 0.00 -0.93 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 1u6f s GLN 18 Cb 0.00 -2.36 -0.07 0.00 1.10 0.00 0.00 33.01 31.69 1u6f s GLN 18 CO 0.00 0.54 1.64 -1.17 -0.55 0.00 0.00 175.29 175.75 1u6f s LEU 19 N -1.93 4.34 0.09 3.68 0.20 -1.26 -4.99 118.68 118.82 1u6f s LEU 19 Ca 0.20 2.32 -0.06 0.00 0.69 0.00 0.00 54.13 57.28 1u6f s LEU 19 Cb -0.11 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.09 1u6f s LEU 19 CO 0.12 -0.90 0.13 -1.58 -0.29 0.00 0.00 176.35 173.83 1u6f s GLN 20 N 3.47 0.83 -0.02 1.98 2.00 -1.26 -5.06 119.66 121.60 1u6f s GLN 20 Ca 0.73 -1.11 -0.02 0.00 -2.00 0.00 0.00 55.36 52.96 1u6f s GLN 20 Cb -0.35 0.30 0.01 0.00 0.80 0.00 0.00 33.01 33.77 1u6f s GLN 20 CO 0.31 -0.25 0.05 1.04 -0.50 0.00 0.00 175.29 175.94 1u6f n GLN 21 N -0.04 -4.93 -2.78 1.67 1.13 -1.26 -4.94 117.38 106.23 1u6f n GLN 21 Ca -0.13 3.62 -0.38 0.00 -1.94 0.00 0.00 57.00 58.17 1u6f n GLN 21 Cb 0.62 -4.66 -0.06 0.00 0.11 0.00 0.00 30.24 26.25 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1u6f s LEU 22 N -0.59 4.46 0.00 1.08 1.02 -1.26 -4.96 118.68 118.43 1u6f s LEU 22 Ca -0.05 1.87 0.12 0.00 0.02 0.00 0.00 54.13 56.08 1u6f s LEU 22 Cb 0.00 -3.84 0.19 0.00 0.02 0.00 0.00 46.19 42.56 1u6f s LEU 22 CO 0.14 0.02 1.03 1.67 0.02 0.00 0.00 176.35 179.24 1u6f n GLN 23 N 0.93 0.00 -3.52 1.70 7.27 -1.26 -5.01 117.38 117.49 1u6f n GLN 23 Ca 0.00 -1.35 -0.19 0.00 0.07 0.00 0.00 57.00 55.53 1u6f n GLN 23 Cb 0.49 0.10 0.06 0.00 2.41 0.00 0.00 30.24 33.30 1u6f n GLN 23 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1u6f n GLN 24 N 0.22 -4.88 -1.75 3.69 0.00 -1.26 -4.90 117.38 108.50 1u6f n GLN 24 Ca -0.07 0.74 -0.42 0.00 -0.00 0.00 0.00 57.00 57.26 1u6f n GLN 24 Cb 0.88 -5.48 -0.01 0.00 0.00 0.00 0.00 30.24 25.64 1u6f n GLN 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1u6f n GLN 25 N -4.04 2.58 -1.78 3.69 1.13 -1.26 -4.88 117.38 112.82 1u6f n GLN 25 Ca -0.24 0.91 -0.01 0.00 -1.94 0.00 0.00 57.00 55.72 1u6f n GLN 25 Cb 0.66 -2.63 0.02 0.00 0.11 0.00 0.00 30.24 28.41 1u6f n GLN 25 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1u6f n GLN 26 N 0.92 0.27 -1.39 -1.09 7.27 -1.26 -5.15 117.38 116.94 1u6f n GLN 26 Ca 0.04 -0.27 0.18 0.00 0.07 0.00 0.00 57.00 57.02 1u6f n GLN 26 Cb 0.38 0.08 -0.06 0.00 2.41 0.00 0.00 30.24 33.04 1u6f n GLN 26 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1u6f n GLN 27 N -0.32 -2.99 0.01 3.69 7.27 -1.26 -4.64 117.38 119.14 1u6f n GLN 27 Ca -0.05 2.21 -0.12 0.00 0.07 0.00 0.00 57.00 59.11 1u6f n GLN 27 Cb 0.58 -3.58 -0.14 0.00 2.41 0.00 0.00 30.24 29.52 1u6f n GLN 27 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 1u6f h GLN 28 N -1.33 0.10 -6.60 3.69 -0.00 -2.01 -3.46 115.11 105.49 1u6f h GLN 28 Ca -0.07 -0.17 -0.68 0.00 -0.00 0.00 0.00 58.65 57.73 1u6f h GLN 28 Cb 1.30 0.06 -0.22 0.00 -0.00 0.00 0.00 27.48 28.63 1u6f h GLN 28 CO 0.04 0.81 -0.81 -1.58 -0.00 0.00 0.00 178.83 177.30 1u6f s HIS 29 N -2.61 2.54 0.15 0.06 2.46 -1.26 -5.14 115.29 111.49 1u6f s HIS 29 Ca -0.08 -0.26 0.10 0.00 0.47 0.00 0.00 55.06 55.29 1u6f s HIS 29 Cb 0.08 -1.44 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 1u6f s HIS 29 CO 0.82 0.27 -0.23 0.96 -2.47 0.00 0.00 174.74 174.09 1u6f s ILE 30 N -0.95 2.06 0.20 0.89 -4.36 -1.26 -5.06 121.20 112.72 1u6f s ILE 30 Ca 0.15 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.60 1u6f s ILE 30 Cb -0.10 -1.90 0.13 0.00 1.25 0.00 0.00 42.46 41.84 1u6f s ILE 30 CO 0.06 -0.10 1.72 -0.65 0.24 0.00 0.00 174.94 176.21 1u6f h PRO 31 N 3.58 0.28 -2.38 0.37 0.11 -2.00 -2.98 132.00 128.98 1u6f h PRO 31 Ca -0.46 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.30 1u6f h PRO 31 Cb 1.19 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1u6f h PRO 31 CO 0.44 0.18 0.99 -0.35 -0.21 0.00 0.00 178.00 179.06 1u6f n PRO 32 N -5.08 2.44 -2.46 1.05 -0.04 -1.26 -4.45 135.00 125.20 1u6f n PRO 32 Ca 0.07 -1.33 -0.26 0.00 -0.04 0.00 0.00 63.50 61.94 1u6f n PRO 32 Cb 0.27 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1u6f n PRO 32 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1u6f n THR 33 N 2.89 2.30 -2.14 0.52 -1.04 -1.13 -5.05 114.28 110.64 1u6f n THR 33 Ca 0.52 -4.77 0.00 0.00 -2.04 0.00 0.00 64.05 57.76 1u6f n THR 33 Cb 0.66 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1u6f n THR 33 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1u6f n GLN 34 N -0.47 1.29 -2.47 -2.82 7.27 -1.26 -4.94 117.38 113.97 1u6f n GLN 34 Ca 0.38 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.42 1u6f n GLN 34 Cb 0.69 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.32 1u6f n GLN 34 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1u6f n MET 35 N -0.68 -3.53 -2.02 3.69 2.81 -1.26 -4.85 117.12 111.29 1u6f n MET 35 Ca 0.00 2.79 -0.43 0.00 -1.81 0.00 0.00 57.70 58.25 1u6f n MET 35 Cb 0.00 -4.60 -0.03 0.00 -0.71 0.00 0.00 33.22 27.88 1u6f n MET 35 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1u6f s ASN 36 N -0.93 6.02 -0.42 7.83 0.01 -1.26 -4.87 114.94 121.32 1u6f s ASN 36 Ca -0.14 1.41 -0.21 0.00 -0.71 0.00 0.00 52.86 53.21 1u6f s ASN 36 Cb 0.01 -2.53 -0.21 0.00 0.41 0.00 0.00 41.25 38.93 1u6f s ASN 36 CO 0.68 -1.59 1.72 -2.65 -1.51 0.00 0.00 177.10 173.75 1u6f n PRO 37 N 8.23 0.84 -3.97 -0.60 -0.02 -1.26 -4.88 135.00 133.35 1u6f n PRO 37 Ca 0.22 -1.35 -0.30 0.00 -2.02 0.00 0.00 63.50 60.06 1u6f n PRO 37 Cb 0.46 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1u6f s GLU 38 N 5.58 3.25 0.37 -0.52 0.41 -1.26 -4.55 118.70 121.97 1u6f s GLU 38 Ca 0.54 -0.57 0.19 0.00 -0.41 0.00 0.00 54.97 54.72 1u6f s GLU 38 Cb 0.13 -2.91 0.57 0.00 -1.78 0.00 0.00 34.13 30.14 1u6f s GLU 38 CO 0.18 0.57 1.68 -1.00 -0.49 0.00 0.00 175.26 176.19 1u6f h PRO 39 N 2.92 0.00 -0.17 0.39 0.13 -1.90 -3.15 132.00 130.22 1u6f h PRO 39 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1u6f h PRO 39 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1u6f h PRO 39 CO 0.71 0.36 0.12 0.22 -0.23 0.00 0.00 178.00 179.18 1u6f h ASP 40 N 0.00 0.16 -0.80 1.44 3.58 -1.97 -3.21 116.42 115.63 1u6f h ASP 40 Ca -0.00 -0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.71 1u6f h ASP 40 Cb 1.00 -0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 1u6f h ASP 40 CO 0.05 0.12 2.65 1.33 -2.88 0.00 0.00 179.24 180.50 1u6f n VAL 41 N -4.51 4.34 -0.07 2.25 0.24 -1.19 -4.48 118.33 114.91 1u6f n VAL 41 Ca -0.00 -3.79 -0.09 0.00 -2.04 0.00 0.00 64.34 58.42 1u6f n VAL 41 Cb 0.11 -2.39 -0.15 0.00 -1.47 0.00 0.00 33.84 29.94 1u6f n VAL 41 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u6f n LEU 42 N 3.84 0.27 0.00 1.34 4.77 -1.21 -4.16 117.00 121.85 1u6f n LEU 42 Ca 0.54 0.13 0.10 0.00 -0.03 0.00 0.00 56.01 56.75 1u6f n LEU 42 Cb 0.32 0.39 0.61 0.00 -2.33 0.00 0.00 43.42 42.41 1u6f n LEU 42 CO 0.81 0.45 0.81 -2.11 -1.33 0.00 0.00 177.39 176.02 1u6f n ARG 43 N -2.83 0.67 -2.49 3.23 1.85 -1.26 -4.59 116.66 111.24 1u6f n ARG 43 Ca -0.27 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.16 1u6f n ARG 43 Cb 1.11 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 31.01 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 -1.97 6.31 -0.24 2.89 3.04 -1.26 -0.73 114.94 122.97 1u6f s ASN 44 Ca 0.31 0.20 -0.04 0.00 0.04 0.00 0.00 52.86 53.37 1u6f s ASN 44 Cb 0.14 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.30 1u6f s ASN 44 CO 0.24 -1.58 -0.03 -0.76 -3.04 0.00 0.00 177.10 171.93 1u6f s LEU 45 N 5.44 3.10 -0.45 3.21 2.01 -0.95 -1.54 118.68 129.51 1u6f s LEU 45 Ca 0.47 -0.53 -0.21 0.00 0.01 0.00 0.00 54.13 53.87 1u6f s LEU 45 Cb -0.09 -1.75 0.03 0.00 0.01 0.00 0.00 46.19 44.39 1u6f s LEU 45 CO 0.25 -0.07 0.66 -0.32 1.01 0.00 0.00 176.35 177.88 1u6f s MET 46 N 1.45 3.27 -0.12 1.70 -2.45 0.34 -0.80 119.30 122.70 1u6f s MET 46 Ca 0.04 -0.39 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1u6f s MET 46 Cb -0.15 -3.96 -0.04 0.00 1.25 0.00 0.00 34.83 31.93 1u6f s MET 46 CO -0.03 -1.04 0.05 0.54 1.05 0.00 0.00 175.02 175.59 1u6f s VAL 47 N 2.86 4.75 -0.05 10.11 0.11 -0.20 0.98 120.40 138.96 1u6f s VAL 47 Ca 0.23 -0.07 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1u6f s VAL 47 Cb -0.14 -3.05 0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1u6f s VAL 47 CO 0.19 0.58 0.12 0.21 -3.33 0.00 0.00 175.10 172.87 1u6f s ASN 48 N -0.65 -0.10 0.30 3.54 2.47 0.25 0.41 114.94 121.16 1u6f s ASN 48 Ca 0.11 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1u6f s ASN 48 Cb -0.12 0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 1u6f s ASN 48 CO 0.02 -0.10 0.00 0.00 -3.72 0.00 0.00 177.10 173.31 1u6f n TYR 49 N 3.65 -3.51 -3.95 0.43 9.36 -1.26 -2.03 117.16 119.85 1u6f n TYR 49 Ca -0.20 0.94 -0.21 0.00 3.32 0.00 0.00 57.90 61.75 1u6f n TYR 49 Cb 0.55 2.40 -0.03 0.00 -0.63 0.00 0.00 39.34 41.62 1u6f n TYR 49 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1u6f s ILE 50 N -1.67 4.26 0.00 2.97 -0.00 -1.26 -5.04 121.20 120.46 1u6f s ILE 50 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 60.65 59.35 1u6f s ILE 50 Cb 0.00 -3.40 0.00 0.00 -0.00 0.00 0.00 42.46 39.06 1u6f s ILE 50 CO 0.00 -0.28 0.00 -0.81 -0.00 0.00 0.00 174.94 173.85 1u6f n PRO 51 N -1.31 0.00 0.23 0.37 -0.04 -1.26 -4.39 135.00 128.60 1u6f n PRO 51 Ca -0.06 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.53 1u6f n PRO 51 Cb 0.58 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.30 1u6f n PRO 51 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1u6f h THR 52 N 0.00 0.02 -0.26 0.52 2.02 -1.90 -3.21 112.91 110.10 1u6f h THR 52 Ca 0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1u6f h THR 52 Cb 0.00 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1u6f h THR 52 CO 0.00 0.01 0.00 1.07 0.37 0.00 0.00 175.52 176.97 1u6f n THR 53 N -3.10 0.69 -2.13 3.16 5.66 -1.26 -4.63 114.28 112.66 1u6f n THR 53 Ca 0.03 -0.45 -0.42 0.00 -3.05 0.00 0.00 64.05 60.16 1u6f n THR 53 Cb 0.50 -0.08 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1u6f s VAL 54 N -1.65 3.77 -0.19 1.08 0.11 -1.21 -4.95 120.40 117.36 1u6f s VAL 54 Ca 0.20 0.95 -0.01 0.00 -2.93 0.00 0.00 61.98 60.18 1u6f s VAL 54 Cb 0.13 -3.61 -0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1u6f s VAL 54 CO 0.10 -0.08 -0.11 -1.81 -3.33 0.00 0.00 175.10 169.87 1u6f s ASP 55 N 2.90 3.85 0.62 3.54 1.01 -1.26 -4.92 116.67 122.40 1u6f s ASP 55 Ca 0.68 -0.47 0.34 0.00 0.71 0.00 0.00 52.55 53.82 1u6f s ASP 55 Cb -0.30 -1.63 2.00 0.00 1.01 0.00 0.00 42.92 44.00 1u6f s ASP 55 CO 0.25 0.03 2.27 1.05 0.21 0.00 0.00 175.17 178.98 1u6f h GLU 56 N 7.76 0.00 0.30 8.23 4.11 -1.94 -2.61 114.58 130.43 1u6f h GLU 56 Ca -0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 1u6f h GLU 56 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1u6f h GLU 56 CO 0.60 0.00 -0.14 0.28 0.07 0.00 0.00 179.01 179.82 1u6f h VAL 57 N 0.00 0.49 -0.89 -1.06 2.07 -1.97 0.76 116.25 115.64 1u6f h VAL 57 Ca 0.01 -0.81 0.17 0.00 0.82 0.00 0.00 66.70 66.89 1u6f h VAL 57 Cb 0.07 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 1u6f h VAL 57 CO -0.00 0.11 0.46 -0.61 0.02 0.00 0.00 177.57 177.56 1u6f h GLN 58 N -0.96 0.58 0.00 1.57 5.75 -1.90 0.50 115.11 120.65 1u6f h GLN 58 Ca -0.04 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.29 1u6f h GLN 58 Cb 0.50 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1u6f h GLN 58 CO 0.07 0.38 -0.65 -0.07 -2.65 0.00 0.00 178.83 175.91 1u6f h LEU 59 N 0.60 0.00 0.48 -2.39 4.07 -1.52 -2.68 115.31 113.87 1u6f h LEU 59 Ca 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.45 1u6f h LEU 59 Cb 0.80 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1u6f h LEU 59 CO -0.40 0.65 -0.26 -0.09 -1.08 0.00 0.00 178.44 177.25 1u6f h ARG 60 N 0.00 -0.67 -0.23 1.13 1.12 0.55 1.52 114.38 117.80 1u6f h ARG 60 Ca -0.01 0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.85 1u6f h ARG 60 Cb 1.41 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.52 1u6f h ARG 60 CO 0.08 -0.44 -0.08 1.96 -3.11 0.00 0.00 179.97 178.38 1u6f h GLN 61 N -0.69 0.46 -0.56 0.20 4.20 -1.29 0.85 115.11 118.28 1u6f h GLN 61 Ca -0.06 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.38 1u6f h GLN 61 Cb 0.55 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1u6f h GLN 61 CO 0.08 0.72 0.04 1.25 -0.67 0.00 0.00 178.83 180.25 1u6f h LEU 62 N 0.19 0.93 0.00 1.46 5.85 -1.41 -2.01 115.31 120.32 1u6f h LEU 62 Ca 0.05 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1u6f h LEU 62 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1u6f h LEU 62 CO 0.03 0.99 -0.56 -0.26 -0.34 0.00 0.00 178.44 178.29 1u6f h PHE 63 N 0.85 0.00 -0.21 1.25 -1.00 0.22 -3.33 116.94 114.72 1u6f h PHE 63 Ca 0.16 0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.00 1u6f h PHE 63 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1u6f h PHE 63 CO 0.04 1.16 0.23 1.05 -1.61 0.00 0.00 178.31 179.18 1u6f h GLU 64 N -1.00 0.00 -0.86 1.51 4.11 0.68 0.10 114.58 119.12 1u6f h GLU 64 Ca -0.15 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.31 1u6f h GLU 64 Cb 1.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1u6f h GLU 64 CO -0.09 0.00 0.57 -0.09 0.07 0.00 0.00 179.01 179.46 1u6f h ARG 65 N 0.00 1.06 0.00 1.06 2.43 -1.46 -1.45 114.38 116.01 1u6f h ARG 65 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1u6f h ARG 65 Cb 0.57 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1u6f h ARG 65 CO -0.00 0.70 -0.84 0.66 -1.51 0.00 0.00 179.97 178.98 1u6f n TYR 66 N -4.44 0.33 -3.11 2.20 4.02 0.24 -4.81 117.16 111.59 1u6f n TYR 66 Ca 0.11 0.10 0.04 0.00 -0.01 0.00 0.00 57.90 58.14 1u6f n TYR 66 Cb 0.09 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u6f s GLY 67 N -3.57 -1.10 -0.39 2.72 0.00 -0.52 -4.59 107.32 99.86 1u6f s GLY 67 Ca 0.05 1.67 -0.43 0.00 0.00 0.00 0.00 44.72 46.01 1u6f s GLY 67 CO 0.76 4.01 1.70 -1.05 0.00 0.00 0.00 173.10 178.53 1u6f n PRO 68 N 4.97 0.58 -2.79 2.90 -0.02 -0.74 -4.04 135.00 135.85 1u6f n PRO 68 Ca 0.08 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.41 1u6f n PRO 68 Cb 0.58 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.43 4.26 -0.24 4.25 -4.36 -1.26 -1.09 121.20 126.18 1u6f s ILE 69 Ca 1.02 1.73 0.01 0.00 -0.26 0.00 0.00 60.65 63.15 1u6f s ILE 69 Cb -1.28 -3.90 -0.16 0.00 1.25 0.00 0.00 42.46 38.37 1u6f s ILE 69 CO 0.73 0.02 -0.22 1.21 0.24 0.00 0.00 174.94 176.92 1u6f n GLU 70 N 0.23 0.60 -3.48 0.37 2.13 0.30 -4.71 120.64 116.09 1u6f n GLU 70 Ca 0.03 0.15 -0.20 0.00 0.66 0.00 0.00 57.16 57.80 1u6f n GLU 70 Cb 0.51 -1.48 -0.13 0.00 0.27 0.00 0.00 31.44 30.62 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 -6.43 1.79 -0.09 4.31 0.01 -1.06 -5.04 113.70 107.20 1u6f s SER 71 Ca -0.33 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 1u6f s SER 71 Cb 0.09 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1u6f s SER 71 CO 0.55 -0.36 0.01 0.54 0.41 0.00 0.00 173.24 174.39 1u6f s VAL 72 N 2.29 4.35 0.16 3.43 0.11 -1.26 -1.42 120.40 128.06 1u6f s VAL 72 Ca 0.08 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.71 1u6f s VAL 72 Cb -0.15 -2.83 0.04 0.00 -1.53 0.00 0.00 36.38 31.90 1u6f s VAL 72 CO -0.21 0.60 0.49 -0.75 -3.33 0.00 0.00 175.10 171.91 1u6f s LYS 73 N -0.82 1.23 -0.01 1.54 2.20 0.15 -4.98 119.74 119.03 1u6f s LYS 73 Ca 0.13 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1u6f s LYS 73 Cb -0.11 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1u6f s LYS 73 CO 0.02 -0.51 -0.12 0.42 -0.36 0.00 0.00 175.35 174.80 1u6f s ILE 74 N -3.81 3.22 -0.71 5.43 1.01 -1.26 0.27 121.20 125.35 1u6f s ILE 74 Ca 0.05 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 1u6f s ILE 74 Cb 0.00 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.19 1u6f s ILE 74 CO -0.09 0.47 1.10 -0.69 0.00 0.00 0.00 174.94 175.73 1u6f s VAL 75 N -0.87 4.10 0.56 2.92 1.01 0.41 -4.85 120.40 123.69 1u6f s VAL 75 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1u6f s VAL 75 Cb -0.11 -4.79 0.02 0.00 0.00 0.00 0.00 36.38 31.51 1u6f s VAL 75 CO 0.04 -1.63 0.82 0.00 0.00 0.00 0.00 175.10 174.34 1u6f s ASP 77 N -4.36 7.07 0.00 0.00 1.01 -0.75 -4.86 116.67 114.78 1u6f s ASP 77 Ca 0.55 1.33 0.18 0.00 0.71 0.00 0.00 52.55 55.32 1u6f s ASP 77 Cb -0.10 -2.51 0.81 0.00 1.01 0.00 0.00 42.92 42.12 1u6f s ASP 77 CO 0.41 -0.55 1.59 -2.11 0.21 0.00 0.00 175.17 174.72 1u6f n ARG 78 N 5.77 0.03 0.01 8.23 1.85 -1.26 -0.33 116.66 130.96 1u6f n ARG 78 Ca 0.09 0.17 -0.13 0.00 -1.00 0.00 0.00 57.85 56.99 1u6f n ARG 78 Cb 0.47 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.29 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1u6f h GLU 79 N 0.00 -0.07 -0.17 2.89 3.07 -1.95 -3.34 114.58 115.01 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1u6f h GLU 79 Cb 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1u6f h GLU 79 CO 0.00 0.42 0.00 0.25 -1.40 0.00 0.00 179.01 178.28 1u6f n THR 80 N -4.88 0.70 -2.95 1.13 -2.24 -1.21 -4.98 114.28 99.85 1u6f n THR 80 Ca -0.09 -0.85 -0.19 0.00 -2.27 0.00 0.00 64.05 60.66 1u6f n THR 80 Cb 0.26 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.27 -3.18 -4.20 -0.78 5.12 0.56 -4.95 116.66 109.50 1u6f n ARG 81 Ca 0.07 0.60 -0.30 0.00 -1.93 0.00 0.00 57.85 56.29 1u6f n ARG 81 Cb 0.32 -5.30 -0.09 0.00 -1.16 0.00 0.00 32.46 26.23 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 -5.58 2.40 0.01 5.56 -1.52 -1.15 -4.93 119.66 114.45 1u6f s GLN 82 Ca 0.23 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 1u6f s GLN 82 Cb -0.12 -2.46 -0.07 0.00 -0.22 0.00 0.00 33.01 30.14 1u6f s GLN 82 CO 0.28 0.54 1.74 -1.12 -0.25 0.00 0.00 175.29 176.48 1u6f s SER 83 N -2.18 6.59 0.00 5.90 0.01 -1.26 -1.81 113.70 120.94 1u6f s SER 83 Ca 0.23 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1u6f s SER 83 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1u6f s SER 83 CO 0.16 -0.95 0.00 -1.14 0.41 0.00 0.00 173.24 171.72 1u6f n ARG 84 N 6.76 0.00 0.00 12.44 0.63 -1.26 -4.20 116.66 131.03 1u6f n ARG 84 Ca 0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1u6f n ARG 84 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 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 0.59 3.82 5.14 0.00 -1.23 -3.98 105.19 109.54 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 0.40 1.61 -0.85 -1.09 -4.67 117.35 112.75 1u6f s TYR 86 Ca 0.00 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 1u6f s TYR 86 Cb 0.00 0.63 0.03 0.00 0.38 0.00 0.00 41.96 43.00 1u6f s TYR 86 CO 0.00 -0.63 0.26 0.41 -1.52 0.00 0.00 175.55 174.07 1u6f n GLY 87 N -0.65 2.94 3.13 5.49 0.00 0.16 0.16 105.19 116.42 1u6f n GLY 87 Ca -0.03 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.59 1u6f n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6f s PHE 88 N -2.04 -0.29 -0.19 1.61 0.40 0.78 -1.03 117.98 117.21 1u6f s PHE 88 Ca 0.20 0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 57.21 1u6f s PHE 88 Cb -0.02 0.09 0.06 0.00 0.51 0.00 0.00 43.02 43.67 1u6f s PHE 88 CO 0.13 -0.15 0.04 0.14 0.70 0.00 0.00 175.22 176.08 1u6f s VAL 89 N 0.31 0.45 -0.38 -0.44 -7.23 0.02 0.29 120.40 113.42 1u6f s VAL 89 Ca -0.01 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.43 1u6f s VAL 89 Cb -0.03 -0.98 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1u6f s VAL 89 CO -0.01 -0.23 0.65 -0.75 -0.31 0.00 0.00 175.10 174.45 1u6f s LYS 90 N 1.89 3.57 0.58 4.82 2.20 -0.50 -2.23 119.74 130.08 1u6f s LYS 90 Ca -0.00 -0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.41 1u6f s LYS 90 Cb -0.17 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1u6f s LYS 90 CO -0.09 -0.83 1.04 -0.06 -0.36 0.00 0.00 175.35 175.06 1u6f s PHE 91 N 2.79 3.10 0.15 4.03 0.40 0.09 0.11 117.98 128.64 1u6f s PHE 91 Ca 0.25 1.50 -0.23 0.00 -0.60 0.00 0.00 56.93 57.85 1u6f s PHE 91 Cb -0.14 -2.96 0.02 0.00 0.51 0.00 0.00 43.02 40.45 1u6f s PHE 91 CO 0.16 -0.96 1.63 1.96 0.70 0.00 0.00 175.22 178.72 1u6f h GLN 92 N 0.49 -0.25 -6.14 0.44 4.20 -1.39 -3.41 115.11 109.06 1u6f h GLN 92 Ca -0.47 0.02 -0.60 0.00 0.06 0.00 0.00 58.65 57.66 1u6f h GLN 92 Cb 1.21 0.06 -0.27 0.00 0.30 0.00 0.00 27.48 28.78 1u6f h GLN 92 CO 0.58 -0.16 -0.85 -1.12 -0.67 0.00 0.00 178.83 176.61 1u6f s SER 93 N -5.03 2.53 0.58 1.46 0.01 -1.26 -4.96 113.70 107.03 1u6f s SER 93 Ca -0.15 -0.50 0.29 0.00 1.31 0.00 0.00 55.95 56.90 1u6f s SER 93 Cb 0.12 -0.22 1.49 0.00 0.21 0.00 0.00 66.02 67.61 1u6f s SER 93 CO 0.68 0.19 1.92 1.23 0.41 0.00 0.00 173.24 177.66 1u6f h GLY 94 N 5.00 0.00 2.00 3.44 0.00 -1.84 0.45 103.07 112.12 1u6f h GLY 94 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1u6f h GLY 94 CO 0.44 0.00 -0.05 1.76 0.00 0.00 0.00 176.54 178.69 1u6f h SER 95 N 0.00 0.00 1.05 0.19 0.02 -1.95 -1.49 113.55 111.37 1u6f h SER 95 Ca 0.22 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.99 1u6f h SER 95 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1u6f h SER 95 CO -0.00 0.05 -0.85 -1.28 -1.14 0.00 0.00 176.83 173.61 1u6f h SER 96 N 0.00 0.00 -0.56 3.07 0.87 -0.47 -3.29 113.55 113.17 1u6f h SER 96 Ca -0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1u6f h SER 96 Cb 0.22 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1u6f h SER 96 CO 0.01 0.85 0.33 0.00 -0.53 0.00 0.00 176.83 177.49 1u6f h ALA 97 N 1.15 0.72 -0.99 6.23 0.00 -1.31 -0.44 119.26 124.61 1u6f h ALA 97 Ca -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1u6f h ALA 97 Cb 1.60 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1u6f h ALA 97 CO 0.11 0.04 0.61 1.96 0.00 0.00 0.00 179.25 181.97 1u6f h GLN 98 N 0.65 0.85 0.00 0.00 4.20 -1.62 0.30 115.11 119.50 1u6f h GLN 98 Ca 0.23 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1u6f h GLN 98 Cb 0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1u6f h GLN 98 CO -0.11 0.56 -0.62 1.96 -0.67 0.00 0.00 178.83 179.95 1u6f h GLN 99 N 0.88 0.00 0.30 1.46 4.20 -1.48 -1.78 115.11 118.69 1u6f h GLN 99 Ca 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1u6f h GLN 99 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1u6f h GLN 99 CO -0.32 0.62 -0.15 0.00 -0.67 0.00 0.00 178.83 178.32 1u6f h ALA 100 N 1.38 -0.41 0.00 3.87 0.00 0.11 -1.94 119.26 122.26 1u6f h ALA 100 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1u6f h ALA 100 Cb 1.24 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1u6f h ALA 100 CO 0.08 -0.47 -0.10 0.82 0.00 0.00 0.00 179.25 179.58 1u6f h ILE 101 N -0.93 0.70 -0.04 0.00 2.04 -0.69 1.13 117.51 119.73 1u6f h ILE 101 Ca -0.04 -0.39 -0.19 0.00 1.00 0.00 0.00 64.86 65.24 1u6f h ILE 101 Cb 0.51 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1u6f h ILE 101 CO 0.07 0.09 -0.78 0.00 0.00 0.00 0.00 178.15 177.53 1u6f h ALA 102 N 1.90 0.59 0.00 1.87 0.00 -1.28 -3.07 119.26 119.27 1u6f h ALA 102 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1u6f h ALA 102 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u6f h ALA 102 CO 0.01 0.81 -0.10 0.41 0.00 0.00 0.00 179.25 180.39 1u6f n GLY 103 N 0.65 2.90 0.00 0.00 0.00 -0.74 -4.81 105.19 103.19 1u6f n GLY 103 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.82 0.57 -4.68 0.99 4.77 0.38 -4.84 117.00 113.37 1u6f n LEU 104 Ca 0.08 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.57 1u6f n LEU 104 Cb 0.55 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1u6f n LEU 104 CO 0.00 0.09 1.44 -3.20 -1.33 0.00 0.00 177.39 174.40 1u6f n ASN 105 N -1.58 3.31 -1.39 -1.43 5.15 -1.16 0.10 115.26 118.26 1u6f n ASN 105 Ca 0.00 0.99 -0.18 0.00 -0.60 0.00 0.00 54.58 54.79 1u6f n ASN 105 Cb 0.11 -1.35 -0.08 0.00 -0.53 0.00 0.00 39.78 37.93 1u6f n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u6f n GLY 106 N 4.28 1.71 3.51 8.20 0.00 0.29 -4.80 105.19 118.37 1u6f n GLY 106 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.31 0.65 -2.22 1.61 7.35 0.12 -4.51 117.46 118.15 1u6f n PHE 107 Ca -0.18 -0.02 -0.32 0.00 -0.76 0.00 0.00 57.45 56.17 1u6f n PHE 107 Cb 0.65 -1.72 -0.04 0.00 0.35 0.00 0.00 39.48 38.72 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 6.09 5.59 0.65 -2.13 2.20 -1.26 -0.58 114.94 125.50 1u6f s ASN 108 Ca 1.01 -1.13 -0.11 0.00 -0.94 0.00 0.00 52.86 51.69 1u6f s ASN 108 Cb -0.38 -2.57 -0.02 0.00 -2.00 0.00 0.00 41.25 36.29 1u6f s ASN 108 CO 0.26 -2.37 1.06 -0.51 -2.94 0.00 0.00 177.10 172.60 1u6f s ILE 109 N 8.51 4.21 0.63 0.54 2.07 0.55 -4.91 121.20 132.81 1u6f s ILE 109 Ca 0.63 0.71 0.25 0.00 -1.41 0.00 0.00 60.65 60.83 1u6f s ILE 109 Cb -0.03 -3.71 0.30 0.00 0.13 0.00 0.00 42.46 39.14 1u6f s ILE 109 CO -0.01 -0.94 1.73 0.25 -1.91 0.00 0.00 174.94 174.07 1u6f h LEU 110 N -0.45 0.00 0.00 8.50 5.85 -2.04 -2.73 115.31 124.44 1u6f h LEU 110 Ca -0.44 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.00 1u6f h LEU 110 Cb 1.22 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1u6f h LEU 110 CO 0.63 0.00 -2.00 -3.20 -0.34 0.00 0.00 178.44 173.53 1u6f n ASN 111 N -3.16 2.10 -2.11 1.25 2.85 -1.26 -5.10 115.26 109.84 1u6f n ASN 111 Ca 0.04 0.04 -0.09 0.00 -0.11 0.00 0.00 54.58 54.46 1u6f n ASN 111 Cb 0.67 -0.38 -0.03 0.00 1.24 0.00 0.00 39.78 41.27 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1u6f n LYS 112 N -3.34 0.26 -3.95 1.20 -0.00 -1.03 -5.15 118.16 106.15 1u6f n LYS 112 Ca -0.33 -1.63 -0.29 0.00 -0.00 0.00 0.00 58.31 56.06 1u6f n LYS 112 Cb 0.80 1.41 -0.16 0.00 -0.00 0.00 0.00 35.03 37.07 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1u6f s ARG 113 N -2.60 1.76 -0.60 -1.58 3.52 -1.26 0.21 118.95 118.39 1u6f s ARG 113 Ca 0.19 -0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1u6f s ARG 113 Cb 0.01 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.18 1u6f s ARG 113 CO 0.13 -0.43 1.44 -0.51 -0.81 0.00 0.00 175.30 175.12 1u6f s LEU 114 N 1.51 3.34 -0.28 -0.88 1.43 0.25 -4.71 118.68 119.34 1u6f s LEU 114 Ca -0.00 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 1u6f s LEU 114 Cb -0.16 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1u6f s LEU 114 CO -0.08 -1.81 0.61 -0.75 0.23 0.00 0.00 176.35 174.55 1u6f s LYS 115 N 5.72 4.00 -0.07 1.70 2.20 -0.86 0.10 119.74 132.53 1u6f s LYS 115 Ca 0.50 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 1u6f s LYS 115 Cb -0.10 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1u6f s LYS 115 CO 0.22 -0.48 -0.10 0.08 -0.36 0.00 0.00 175.35 174.72 1u6f s VAL 116 N 2.53 1.00 -0.02 4.02 1.01 -1.25 0.85 120.40 128.54 1u6f s VAL 116 Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1u6f s VAL 116 Cb -0.15 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1u6f s VAL 116 CO 0.10 0.33 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1u6f s ALA 117 N 0.95 0.70 0.31 5.51 0.00 0.28 -4.55 121.76 124.96 1u6f s ALA 117 Ca -0.09 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 1u6f s ALA 117 Cb -0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 1u6f s ALA 117 CO 0.00 0.12 1.58 -0.11 0.00 0.00 0.00 175.76 177.36 1u6f n LEU 118 N 3.21 4.49 -0.08 0.00 -0.00 -1.26 0.13 117.00 123.50 1u6f n LEU 118 Ca -0.17 1.16 -0.10 0.00 -0.00 0.00 0.00 56.01 56.91 1u6f n LEU 118 Cb 0.55 -1.61 -0.03 0.00 -0.00 0.00 0.00 43.42 42.34 1u6f n LEU 118 CO 0.25 0.18 0.92 0.00 -0.00 0.00 0.00 177.39 178.73 1u6f h ALA 119 N 4.46 0.33 -1.50 1.96 0.00 -1.59 -3.45 119.26 119.47 1u6f h ALA 119 Ca -0.48 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.79 1u6f h ALA 119 Cb 1.23 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1u6f h ALA 119 CO 0.76 -0.12 -0.54 0.00 0.00 0.00 0.00 179.25 179.36 1u6f s ALA 120 N -5.77 3.01 0.00 0.00 0.00 -1.26 -5.03 121.76 112.71 1u6f s ALA 120 Ca -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1u6f s ALA 120 Cb 0.08 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1u6f s ALA 120 CO 0.71 -0.27 0.00 0.45 0.00 0.00 0.00 175.76 176.66 1u6f n SER 121 N -1.14 0.00 0.00 0.00 2.88 -1.26 -4.90 113.62 109.19 1u6f n SER 121 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1u6f n SER 121 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6f n GLY 122 N -0.71 3.38 3.75 0.46 0.00 -1.26 -4.75 105.19 106.05 1u6f n GLY 122 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1u6f n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6f s HIS 123 N -1.26 0.93 -0.54 1.61 3.76 -1.26 -5.04 115.29 113.49 1u6f s HIS 123 Ca 0.00 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 1u6f s HIS 123 Cb 0.00 -3.79 0.22 0.00 1.11 0.00 0.00 32.58 30.12 1u6f s HIS 123 CO 0.00 -3.35 0.55 0.94 -0.85 0.00 0.00 174.74 172.03 1u6f n GLN 124 N -4.32 1.43 -4.58 1.40 -0.06 -1.26 -5.09 117.38 104.90 1u6f n GLN 124 Ca 0.15 -3.95 -0.30 0.00 -2.00 0.00 0.00 57.00 50.90 1u6f n GLN 124 Cb 0.59 -1.87 -0.13 0.00 -4.06 0.00 0.00 30.24 24.77 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1u6f s ARG 125 N -1.41 1.63 0.72 3.69 1.81 -1.26 -5.12 118.95 119.01 1u6f s ARG 125 Ca 0.34 -1.22 -0.16 0.00 -1.72 0.00 0.00 55.73 52.97 1u6f s ARG 125 Cb 0.09 -1.97 -0.01 0.00 -0.45 0.00 0.00 34.95 32.61 1u6f s ARG 125 CO -0.11 0.48 0.77 -2.30 -0.68 0.00 0.00 175.30 173.46 1u6f n PRO 126 N 1.24 0.40 -0.86 3.54 -0.02 -1.26 -4.92 135.00 133.12 1u6f n PRO 126 Ca -0.17 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1u6f n PRO 126 Cb 0.53 -2.04 0.34 0.00 -0.02 0.00 0.00 33.50 32.30 1u6f n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u6f n GLY 127 N 1.34 3.52 2.86 -1.23 0.00 -1.26 -5.00 105.19 105.42 1u6f n GLY 127 Ca 0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 1u6f n GLY 127 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u6f n ILE 128 N 0.06-10.00 -1.81 -0.61 5.41 -1.26 -4.74 119.36 106.41 1u6f n ILE 128 Ca 0.32 1.35 -0.22 0.00 1.00 0.00 0.00 62.75 65.20 1u6f n ILE 128 Cb 1.21 -6.29 -0.06 0.00 -0.71 0.00 0.00 39.64 33.80 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u6f s ALA 129 N -1.76 1.25 0.00 -1.39 0.00 -1.26 -4.49 121.76 114.11 1u6f s ALA 129 Ca 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1u6f s ALA 129 Cb -0.02 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1u6f s ALA 129 CO 0.68 -5.25 0.00 0.41 0.00 0.00 0.00 175.76 171.60 1u6f n GLY 130 N 6.73 0.18 2.91 0.00 0.00 -1.26 -5.00 105.19 108.75 1u6f n GLY 130 Ca 0.42 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.00 -0.90 0.00 4.61 0.00 -1.26 -3.82 120.51 118.14 1u6f n ALA 131 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1u6f n ALA 131 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 15.82 1u6f n ALA 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6f n VAL 132 N -4.44 0.00 0.00 0.00 0.31 -1.26 -4.74 118.33 108.20 1u6f n VAL 132 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1u6f n VAL 132 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6f n GLY 133 N 0.00 -0.66 3.16 2.92 0.00 -1.25 -5.12 105.19 104.24 1u6f n GLY 133 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 1u6f n GLY 133 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1u6f s ASP 134 N -4.00 -0.67 -0.13 1.61 -4.77 -1.26 -5.07 116.67 102.38 1u6f s ASP 134 Ca 0.00 0.79 -0.07 0.00 -3.30 0.00 0.00 52.55 49.96 1u6f s ASP 134 Cb 0.00 1.73 -0.03 0.00 -1.09 0.00 0.00 42.92 43.54 1u6f s ASP 134 CO 0.00 -0.26 -0.13 1.23 0.70 0.00 0.00 175.17 176.71 1u6f h GLY 135 N 8.08 0.00 -1.68 2.12 0.00 -1.99 -3.48 103.07 106.12 1u6f h GLY 135 Ca -0.20 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.59 1u6f h GLY 135 CO 0.22 0.00 0.37 0.54 0.00 0.00 0.00 176.54 177.67 1u6f s ASN 136 N -5.71 3.76 0.00 0.19 2.20 -1.26 -4.87 114.94 109.24 1u6f s ASN 136 Ca -0.12 2.40 0.00 0.00 -0.94 0.00 0.00 52.86 54.20 1u6f s ASN 136 Cb 0.02 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 1u6f s ASN 136 CO 0.18 -2.56 0.00 0.61 -2.94 0.00 0.00 177.10 172.39 1u6f n GLY 137 N 0.54 1.74 0.28 0.45 0.00 -1.26 -4.83 105.19 102.11 1u6f n GLY 137 Ca 0.14 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 1u6f n GLY 137 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1u6f h TYR 138 N 0.00 -0.60 0.00 1.61 0.05 -1.99 -3.54 116.97 112.50 1u6f h TYR 138 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1u6f h TYR 138 Cb 0.00 0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1u6f h TYR 138 CO 0.00 -0.28 0.00 1.28 -1.05 0.00 0.00 178.16 178.11