#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 0.34 -0.23 6.12 0.01 -1.26 -5.12 113.70 113.56 1u6f s SER 2 Ca 0.00 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 1u6f s SER 2 Cb 0.00 -0.17 0.08 0.00 0.21 0.00 0.00 66.02 66.13 1u6f s SER 2 CO 0.00 -0.09 0.09 -1.58 0.41 0.00 0.00 173.24 172.07 1u6f s GLN 3 N 0.87 0.34 -0.54 12.44 2.00 -1.26 -5.10 119.66 128.41 1u6f s GLN 3 Ca -0.08 -0.42 -0.20 0.00 -2.00 0.00 0.00 55.36 52.66 1u6f s GLN 3 Cb -0.12 -1.75 0.07 0.00 0.80 0.00 0.00 33.01 32.01 1u6f s GLN 3 CO -0.02 -0.80 0.69 0.96 -0.50 0.00 0.00 175.29 175.63 1u6f s ILE 4 N 1.99 4.78 -0.50 -2.34 -5.25 -1.26 -4.91 121.20 113.71 1u6f s ILE 4 Ca 0.04 -0.50 0.21 0.00 -0.99 0.00 0.00 60.65 59.41 1u6f s ILE 4 Cb -0.16 -4.38 0.21 0.00 2.95 0.00 0.00 42.46 41.08 1u6f s ILE 4 CO -0.18 -0.93 1.63 -0.81 -1.79 0.00 0.00 174.94 172.85 1u6f n PRO 5 N 6.42 0.15 -3.83 0.37 -0.04 -1.26 -4.84 135.00 131.98 1u6f n PRO 5 Ca -0.06 0.46 -0.07 0.00 -0.04 0.00 0.00 63.50 63.79 1u6f n PRO 5 Cb 0.45 -1.83 0.02 0.00 -0.04 0.00 0.00 33.50 32.10 1u6f n PRO 5 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1u6f s LEU 6 N -4.24 -0.03 0.00 1.53 2.34 -1.26 -5.09 118.68 111.94 1u6f s LEU 6 Ca 0.03 -0.96 0.00 0.00 0.06 0.00 0.00 54.13 53.26 1u6f s LEU 6 Cb 0.08 2.65 0.00 0.00 -0.56 0.00 0.00 46.19 48.36 1u6f s LEU 6 CO 0.31 -1.47 0.00 0.52 -1.06 0.00 0.00 176.35 174.64 1u6f n VAL 7 N -0.56 0.00 -4.94 1.48 0.31 -1.26 -5.16 118.33 108.20 1u6f n VAL 7 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1u6f n VAL 7 Cb 0.60 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -2.11 -4.51 -1.27 4.52 2.88 -1.26 -5.01 113.62 106.86 1u6f n SER 8 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 1u6f n SER 8 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1u6f n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u6f n GLN 9 N -1.13 -2.71 -2.56 -1.46 6.02 -1.26 -5.01 117.38 109.27 1u6f n GLN 9 Ca 0.00 1.96 -0.04 0.00 -0.01 0.00 0.00 57.00 58.90 1u6f n GLN 9 Cb 0.00 -3.25 -0.04 0.00 1.02 0.00 0.00 30.24 27.98 1u6f n GLN 9 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1u6f n TYR 10 N -4.03 -4.20 -1.43 1.08 4.02 -1.26 -4.89 117.16 106.45 1u6f n TYR 10 Ca -0.02 2.33 0.00 0.00 -0.01 0.00 0.00 57.90 60.20 1u6f n TYR 10 Cb 0.59 -3.84 0.00 0.00 -0.02 0.00 0.00 39.34 36.07 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1u6f n ASP 11 N 1.42 -7.72 0.10 7.72 8.00 -1.26 -4.68 116.55 120.13 1u6f n ASP 11 Ca -0.32 1.68 -0.14 0.00 0.71 0.00 0.00 54.79 56.72 1u6f n ASP 11 Cb 0.50 -4.52 -0.07 0.00 -0.02 0.00 0.00 41.12 37.01 1u6f n ASP 11 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1u6f h PRO 12 N 0.23 -0.60 0.00 -0.24 0.11 -2.03 -3.43 132.00 126.04 1u6f h PRO 12 Ca 0.00 0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.83 1u6f h PRO 12 Cb 0.83 0.14 0.17 0.00 0.11 0.00 0.00 31.00 32.25 1u6f h PRO 12 CO 0.00 -0.40 -0.04 0.66 -0.21 0.00 0.00 178.00 178.01 1u6f n TYR 13 N -5.46 -3.62 0.00 0.65 4.01 -1.26 -4.94 117.16 106.54 1u6f n TYR 13 Ca -0.07 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.92 1u6f n TYR 13 Cb 0.38 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 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 -4.27 4.51 3.11 2.72 0.00 -1.26 -4.88 105.19 105.10 1u6f n GLY 14 Ca 0.12 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 0.52 -3.81 1.61 6.02 -1.26 -5.16 117.38 115.30 1u6f n GLN 15 Ca 0.00 -3.21 -0.12 0.00 -0.01 0.00 0.00 57.00 53.67 1u6f n GLN 15 Cb 0.00 2.06 -0.08 0.00 1.02 0.00 0.00 30.24 33.24 1u6f n GLN 15 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u6f s THR 16 N -3.10 0.09 -0.09 5.09 2.01 -1.26 -5.06 115.64 113.33 1u6f s THR 16 Ca 0.26 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 61.66 1u6f s THR 16 Cb 0.01 -0.77 -0.14 0.00 0.01 0.00 0.00 72.50 71.62 1u6f s THR 16 CO 0.18 -0.39 0.08 0.00 -0.69 0.00 0.00 174.62 173.81 1u6f n ALA 17 N 0.93 1.88 -0.61 7.40 0.00 -1.26 -5.01 120.51 123.84 1u6f n ALA 17 Ca -0.20 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1u6f n ALA 17 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1u6f n ALA 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u6f n GLN 18 N -2.29 0.00 -3.52 0.00 6.02 -1.26 -4.24 117.38 112.09 1u6f n GLN 18 Ca -0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.45 1u6f n GLN 18 Cb 0.73 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.95 1u6f n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u6f s LEU 19 N 0.00 5.89 -0.11 1.08 2.01 -1.26 -4.75 118.68 121.54 1u6f s LEU 19 Ca 0.00 -3.46 0.09 0.00 0.01 0.00 0.00 54.13 50.78 1u6f s LEU 19 Cb 0.00 -2.03 -0.13 0.00 0.01 0.00 0.00 46.19 44.04 1u6f s LEU 19 CO 0.00 -0.28 0.03 0.00 1.01 0.00 0.00 176.35 177.11 1u6f n GLN 20 N 2.78 2.19 -0.45 1.70 10.64 -1.26 -5.03 117.38 127.95 1u6f n GLN 20 Ca 0.19 -0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 55.08 1u6f n GLN 20 Cb 0.39 -1.28 0.26 0.00 -0.86 0.00 0.00 30.24 28.76 1u6f n GLN 20 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1u6f n GLN 21 N -2.41 -2.83 -3.54 2.61 7.27 -1.26 -5.06 117.38 112.16 1u6f n GLN 21 Ca -0.18 -0.80 -0.08 0.00 0.07 0.00 0.00 57.00 56.01 1u6f n GLN 21 Cb 0.85 -2.09 -0.03 0.00 2.41 0.00 0.00 30.24 31.38 1u6f n GLN 21 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1u6f s LEU 22 N -6.93 -0.32 0.00 1.69 0.05 -1.26 -5.16 118.68 106.76 1u6f s LEU 22 Ca 0.68 0.10 0.00 0.00 0.05 0.00 0.00 54.13 54.96 1u6f s LEU 22 Cb -0.24 1.85 0.00 0.00 -2.05 0.00 0.00 46.19 45.75 1u6f s LEU 22 CO 0.65 -0.47 0.00 1.67 -0.55 0.00 0.00 176.35 177.65 1u6f n GLN 23 N 0.04 -2.39 -0.04 1.48 0.00 -1.26 -4.72 117.38 110.48 1u6f n GLN 23 Ca -0.07 1.57 -0.02 0.00 -0.00 0.00 0.00 57.00 58.48 1u6f n GLN 23 Cb 0.60 -2.91 -0.01 0.00 0.00 0.00 0.00 30.24 27.92 1u6f n GLN 23 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1u6f h GLN 24 N 0.00 0.00 -7.75 3.69 1.08 -2.07 -3.48 115.11 106.58 1u6f h GLN 24 Ca 0.02 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.79 1u6f h GLN 24 Cb 1.08 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 28.68 1u6f h GLN 24 CO 0.01 0.00 0.37 -0.65 -0.95 0.00 0.00 178.83 177.61 1u6f s GLN 25 N -1.67 0.23 0.21 1.46 1.11 -1.26 -5.02 119.66 114.72 1u6f s GLN 25 Ca -0.06 -0.37 0.00 0.00 0.01 0.00 0.00 55.36 54.94 1u6f s GLN 25 Cb 0.01 -1.79 0.00 0.00 -1.01 0.00 0.00 33.01 30.21 1u6f s GLN 25 CO 0.09 -2.70 0.00 0.94 0.01 0.00 0.00 175.29 173.63 1u6f n GLN 26 N -3.97 0.00 0.00 2.91 0.00 -1.26 -4.93 117.38 110.13 1u6f n GLN 26 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 1u6f n GLN 26 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 1u6f n GLN 26 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u6f n GLN 27 N -2.89 0.00 -3.80 3.69 -0.06 -1.26 -5.04 117.38 108.02 1u6f n GLN 27 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 1u6f n GLN 27 Cb 0.00 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.22 1u6f n GLN 27 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1u6f n GLN 28 N -1.77 -6.04 -0.78 3.69 6.02 -1.26 -4.88 117.38 112.36 1u6f n GLN 28 Ca 0.00 0.66 0.06 0.00 -0.01 0.00 0.00 57.00 57.71 1u6f n GLN 28 Cb 0.00 -5.55 0.14 0.00 1.02 0.00 0.00 30.24 25.85 1u6f n GLN 28 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1u6f n HIS 29 N -4.69 0.00 -2.85 1.08 8.25 -1.26 -5.05 115.22 110.70 1u6f n HIS 29 Ca -0.02 -1.10 -0.03 0.00 -0.26 0.00 0.00 57.72 56.31 1u6f n HIS 29 Cb 0.56 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.66 -9.93 -0.17 1.59 -0.00 -1.26 -4.81 119.36 104.12 1u6f n ILE 30 Ca 0.14 1.41 -0.04 0.00 -0.00 0.00 0.00 62.75 64.26 1u6f n ILE 30 Cb 0.81 -6.21 0.06 0.00 -0.00 0.00 0.00 39.64 34.29 1u6f n ILE 30 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1u6f h PRO 31 N 2.94 0.52 -0.97 0.38 0.11 -2.00 -2.59 132.00 130.40 1u6f h PRO 31 Ca -0.03 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 66.22 1u6f h PRO 31 Cb 0.39 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 31.30 1u6f h PRO 31 CO 0.11 0.34 0.61 -1.35 -0.21 0.00 0.00 178.00 177.50 1u6f h PRO 32 N 0.54 0.73 -4.87 1.05 0.11 -2.07 -3.36 132.00 124.13 1u6f h PRO 32 Ca 0.23 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.62 1u6f h PRO 32 Cb 0.13 -0.17 -0.33 0.00 0.11 0.00 0.00 31.00 30.74 1u6f h PRO 32 CO -0.15 0.48 -0.74 0.99 -0.21 0.00 0.00 178.00 178.37 1u6f s THR 33 N -5.78 2.80 -0.20 -1.15 2.01 -0.97 -4.95 115.64 107.39 1u6f s THR 33 Ca -0.11 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 60.75 1u6f s THR 33 Cb 0.23 -2.49 -0.16 0.00 0.01 0.00 0.00 72.50 70.10 1u6f s THR 33 CO 0.80 0.10 -0.13 0.00 -0.69 0.00 0.00 174.62 174.70 1u6f n GLN 34 N 4.63 0.72 -2.39 4.92 1.13 -1.26 -4.65 117.38 120.48 1u6f n GLN 34 Ca -0.15 0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.57 1u6f n GLN 34 Cb 0.46 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1u6f n GLN 34 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u6f n MET 35 N -3.00 3.51 -2.10 -1.09 0.00 -1.26 -4.99 117.12 108.20 1u6f n MET 35 Ca -0.35 -3.50 -0.42 0.00 0.00 0.00 0.00 57.70 53.43 1u6f n MET 35 Cb 0.94 -2.98 -0.03 0.00 0.00 0.00 0.00 33.22 31.15 1u6f n MET 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1u6f s ASN 36 N 1.42 6.74 -0.95 3.17 0.01 -1.26 -4.86 114.94 119.21 1u6f s ASN 36 Ca 0.41 2.23 -0.24 0.00 -0.71 0.00 0.00 52.86 54.54 1u6f s ASN 36 Cb 0.08 -2.55 -0.21 0.00 0.41 0.00 0.00 41.25 38.98 1u6f s ASN 36 CO -0.00 -0.81 2.08 -2.65 -1.51 0.00 0.00 177.10 174.20 1u6f n PRO 37 N 5.86 0.16 -2.86 -0.60 -0.02 -1.26 -4.88 135.00 131.40 1u6f n PRO 37 Ca 0.15 -1.40 -0.43 0.00 -2.02 0.00 0.00 63.50 59.80 1u6f n PRO 37 Cb 0.43 -3.62 -0.04 0.00 -0.02 0.00 0.00 33.50 30.24 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 8.31 3.52 0.17 -0.52 0.41 -1.26 -4.90 118.70 124.43 1u6f s GLU 38 Ca 0.78 0.12 0.19 0.00 -0.41 0.00 0.00 54.97 55.64 1u6f s GLU 38 Cb -0.07 -3.92 0.82 0.00 -1.78 0.00 0.00 34.13 29.18 1u6f s GLU 38 CO 0.16 -1.17 1.58 -0.35 -0.49 0.00 0.00 175.26 174.99 1u6f n PRO 39 N 7.01 0.12 0.14 0.39 -0.04 -1.26 -2.83 135.00 138.53 1u6f n PRO 39 Ca 0.05 0.41 0.15 0.00 -0.04 0.00 0.00 63.50 64.07 1u6f n PRO 39 Cb 0.48 -1.75 0.69 0.00 -0.04 0.00 0.00 33.50 32.89 1u6f n PRO 39 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1u6f h ASP 40 N 0.00 0.00 0.75 3.54 1.82 -1.98 0.21 116.42 120.75 1u6f h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1u6f h ASP 40 Cb 0.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.26 1u6f h ASP 40 CO 0.00 0.00 -0.23 1.33 -1.61 0.00 0.00 179.24 178.73 1u6f n VAL 41 N -4.37 0.00 -0.03 2.25 0.24 -1.13 -3.94 118.33 111.36 1u6f n VAL 41 Ca 0.03 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 1u6f n VAL 41 Cb 0.35 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.03 0.07 -1.98 1.34 3.38 -0.77 -3.06 115.31 114.32 1u6f h LEU 42 Ca 0.00 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.45 1u6f h LEU 42 Cb 0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1u6f h LEU 42 CO 0.00 0.61 0.37 0.08 0.09 0.00 0.00 178.44 179.59 1u6f h ARG 43 N -0.47 0.00 -6.38 1.13 0.11 -1.68 -3.39 114.38 103.71 1u6f h ARG 43 Ca 0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1u6f h ARG 43 Cb 0.59 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.62 1u6f h ARG 43 CO 0.01 0.00 1.13 1.21 0.10 0.00 0.00 179.97 182.42 1u6f s ASN 44 N -4.69 6.06 -0.24 0.08 3.04 -1.16 -1.46 114.94 116.57 1u6f s ASN 44 Ca -0.04 0.46 -0.08 0.00 0.04 0.00 0.00 52.86 53.25 1u6f s ASN 44 Cb 0.11 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.24 1u6f s ASN 44 CO 0.35 -1.73 0.09 -0.76 -3.04 0.00 0.00 177.10 172.02 1u6f s LEU 45 N 6.31 3.60 -0.45 3.21 1.43 -0.93 -0.84 118.68 131.00 1u6f s LEU 45 Ca 0.57 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 1u6f s LEU 45 Cb -0.12 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1u6f s LEU 45 CO 0.27 0.00 0.70 -0.32 0.23 0.00 0.00 176.35 177.22 1u6f s MET 46 N 1.41 3.31 -0.12 1.70 -2.45 0.56 -0.13 119.30 123.58 1u6f s MET 46 Ca 0.06 -0.32 -0.05 0.00 -1.25 0.00 0.00 55.69 54.13 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 0.04 -1.07 0.06 0.14 1.05 0.00 0.00 175.02 175.24 1u6f s VAL 47 N 3.00 4.83 -0.10 10.11 -7.23 0.21 0.44 120.40 131.67 1u6f s VAL 47 Ca 0.25 -0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.32 1u6f s VAL 47 Cb -0.14 -3.10 0.04 0.00 0.56 0.00 0.00 36.38 33.75 1u6f s VAL 47 CO 0.20 0.57 0.24 0.21 -0.31 0.00 0.00 175.10 176.01 1u6f s ASN 48 N -0.61 -0.25 0.00 4.85 2.47 -0.14 0.16 114.94 121.41 1u6f s ASN 48 Ca 0.11 0.50 0.00 0.00 0.42 0.00 0.00 52.86 53.89 1u6f s ASN 48 Cb -0.12 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.09 1u6f s ASN 48 CO 0.02 -0.15 0.00 -1.22 -3.72 0.00 0.00 177.10 172.04 1u6f n TYR 49 N 3.97 0.00 -4.26 0.43 4.02 -1.26 -2.04 117.16 118.01 1u6f n TYR 49 Ca -0.23 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.31 1u6f n TYR 49 Cb 0.54 0.43 -0.09 0.00 -0.02 0.00 0.00 39.34 40.21 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1u6f s ILE 50 N -0.94 4.50 0.00 -0.72 1.09 -1.26 -4.95 121.20 118.91 1u6f s ILE 50 Ca 0.00 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 1u6f s ILE 50 Cb 0.00 -2.94 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1u6f s ILE 50 CO 0.00 0.55 0.19 -0.81 -0.10 0.00 0.00 174.94 174.76 1u6f n PRO 51 N 1.90 0.00 0.19 2.79 -0.04 -1.26 -2.62 135.00 135.96 1u6f n PRO 51 Ca -0.18 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1u6f n PRO 51 Cb 0.54 -0.69 0.27 0.00 -0.04 0.00 0.00 33.50 33.58 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 0.00 -0.28 0.52 2.02 -1.88 -2.96 112.91 110.33 1u6f h THR 52 Ca 0.00 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1u6f h THR 52 Cb 0.00 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1u6f h THR 52 CO 0.00 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.30 1u6f n THR 53 N -2.85 0.77 -2.07 3.16 -1.04 -1.26 -4.63 114.28 106.36 1u6f n THR 53 Ca 0.04 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 1u6f n THR 53 Cb 0.48 -0.07 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u6f s VAL 54 N -1.66 3.56 -0.12 12.58 0.11 -1.08 -4.73 120.40 129.07 1u6f s VAL 54 Ca 0.22 0.56 0.01 0.00 -2.93 0.00 0.00 61.98 59.84 1u6f s VAL 54 Cb 0.14 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1u6f s VAL 54 CO 0.11 -0.51 -0.14 -1.81 -3.33 0.00 0.00 175.10 169.42 1u6f s ASP 55 N 5.71 3.93 0.61 3.54 1.01 -1.26 -4.85 116.67 125.36 1u6f s ASP 55 Ca 0.75 -0.34 0.33 0.00 0.71 0.00 0.00 52.55 54.01 1u6f s ASP 55 Cb -0.20 -1.53 1.96 0.00 1.01 0.00 0.00 42.92 44.16 1u6f s ASP 55 CO 0.33 0.18 2.28 1.05 0.21 0.00 0.00 175.17 179.22 1u6f h GLU 56 N 6.59 0.00 0.30 8.23 4.11 -1.95 -2.67 114.58 129.18 1u6f h GLU 56 Ca -0.27 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.15 1u6f h GLU 56 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1u6f h GLU 56 CO 0.54 0.00 -0.14 0.28 0.07 0.00 0.00 179.01 179.76 1u6f h VAL 57 N 0.00 0.52 -0.90 -1.06 2.07 -1.97 0.86 116.25 115.78 1u6f h VAL 57 Ca -0.00 -0.81 0.19 0.00 0.82 0.00 0.00 66.70 66.90 1u6f h VAL 57 Cb 0.00 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 1u6f h VAL 57 CO 0.00 0.12 0.45 -0.61 0.02 0.00 0.00 177.57 177.55 1u6f h GLN 58 N -0.94 0.52 0.00 1.57 4.15 -1.90 0.49 115.11 119.00 1u6f h GLN 58 Ca -0.04 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 1u6f h GLN 58 Cb 0.50 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1u6f h GLN 58 CO 0.07 0.35 -0.79 -0.07 -1.93 0.00 0.00 178.83 176.45 1u6f h LEU 59 N 0.54 0.00 0.40 -2.39 3.38 -1.50 -2.40 115.31 113.34 1u6f h LEU 59 Ca 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1u6f h LEU 59 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1u6f h LEU 59 CO -0.44 0.79 -0.29 -0.09 0.09 0.00 0.00 178.44 178.50 1u6f h ARG 60 N 0.00 -0.65 -0.13 1.13 1.12 0.56 0.97 114.38 117.39 1u6f h ARG 60 Ca -0.01 0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.79 1u6f h ARG 60 Cb 1.54 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.65 1u6f h ARG 60 CO 0.10 -0.44 -0.39 1.96 -3.11 0.00 0.00 179.97 178.10 1u6f h GLN 61 N -0.68 0.49 -0.42 0.20 4.20 -1.30 0.27 115.11 117.87 1u6f h GLN 61 Ca -0.04 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1u6f h GLN 61 Cb 0.58 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1u6f h GLN 61 CO 0.01 0.98 0.18 1.25 -0.67 0.00 0.00 178.83 180.58 1u6f h LEU 62 N 0.09 0.57 0.00 1.46 5.85 -1.38 -2.04 115.31 119.86 1u6f h LEU 62 Ca -0.01 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1u6f h LEU 62 Cb 1.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1u6f h LEU 62 CO 0.08 0.56 -0.58 -0.26 -0.34 0.00 0.00 178.44 177.91 1u6f h PHE 63 N 0.54 0.00 -0.31 1.25 -1.00 0.93 -3.32 116.94 115.02 1u6f h PHE 63 Ca 0.14 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.01 1u6f h PHE 63 Cb 0.16 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1u6f h PHE 63 CO -0.00 1.23 0.37 1.05 -1.61 0.00 0.00 178.31 179.34 1u6f h GLU 64 N -1.00 0.00 -0.66 1.51 4.11 -0.49 0.24 114.58 118.29 1u6f h GLU 64 Ca -0.16 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.29 1u6f h GLU 64 Cb 1.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1u6f h GLU 64 CO -0.10 0.00 0.44 -0.09 0.07 0.00 0.00 179.01 179.33 1u6f h ARG 65 N 0.00 0.81 0.00 1.06 9.65 -1.46 -1.89 114.38 122.55 1u6f h ARG 65 Ca 0.15 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1u6f h ARG 65 Cb 0.88 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1u6f h ARG 65 CO -0.00 0.54 -1.09 0.66 2.80 0.00 0.00 179.97 182.88 1u6f n TYR 66 N -4.45 0.15 -3.08 2.20 4.01 0.73 -4.84 117.16 111.88 1u6f n TYR 66 Ca 0.08 0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.90 1u6f n TYR 66 Cb 0.09 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6f s GLY 67 N -3.55 -1.14 -0.24 2.72 0.00 -0.48 -4.61 107.32 100.02 1u6f s GLY 67 Ca 0.04 1.63 -0.42 0.00 0.00 0.00 0.00 44.72 45.97 1u6f s GLY 67 CO 0.82 4.04 1.52 -1.05 0.00 0.00 0.00 173.10 178.43 1u6f n PRO 68 N 4.83 0.58 -2.80 2.90 -0.02 -0.90 -4.04 135.00 135.55 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 -1.80 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.27 4.27 -0.25 4.25 -4.36 -1.26 -1.83 121.20 124.28 1u6f s ILE 69 Ca 0.97 1.72 -0.02 0.00 -0.26 0.00 0.00 60.65 63.06 1u6f s ILE 69 Cb -1.23 -3.90 -0.15 0.00 1.25 0.00 0.00 42.46 38.44 1u6f s ILE 69 CO 0.67 0.02 -0.25 1.21 0.24 0.00 0.00 174.94 176.83 1u6f n GLU 70 N 0.25 0.60 -3.50 0.37 0.00 0.34 -4.75 120.64 113.96 1u6f n GLU 70 Ca 0.03 0.17 -0.21 0.00 0.00 0.00 0.00 57.16 57.15 1u6f n GLU 70 Cb 0.51 -1.48 -0.13 0.00 0.00 0.00 0.00 31.44 30.34 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 1u6f s SER 71 N -6.63 1.90 -0.08 4.31 0.01 -1.05 -5.03 113.70 107.13 1u6f s SER 71 Ca -0.34 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 1u6f s SER 71 Cb 0.10 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 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 2.27 4.40 0.02 3.43 0.11 -1.26 -1.12 120.40 128.25 1u6f s VAL 72 Ca 0.07 -0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 58.67 1u6f s VAL 72 Cb -0.15 -2.86 0.05 0.00 -1.53 0.00 0.00 36.38 31.89 1u6f s VAL 72 CO -0.20 0.60 0.50 -0.75 -3.33 0.00 0.00 175.10 171.92 1u6f s LYS 73 N -0.93 0.98 0.05 1.54 2.20 0.90 -4.97 119.74 119.52 1u6f s LYS 73 Ca 0.14 -0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1u6f s LYS 73 Cb -0.11 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 1u6f s LYS 73 CO 0.03 -0.34 0.01 0.42 -0.36 0.00 0.00 175.35 175.11 1u6f s ILE 74 N -2.12 4.11 -0.51 5.43 1.01 -1.26 0.24 121.20 128.10 1u6f s ILE 74 Ca -0.07 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 1u6f s ILE 74 Cb -0.01 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.60 1u6f s ILE 74 CO 0.01 0.22 0.68 -0.69 0.00 0.00 0.00 174.94 175.15 1u6f s VAL 75 N -1.23 4.80 0.96 2.92 1.01 0.40 -4.85 120.40 124.41 1u6f s VAL 75 Ca 0.24 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1u6f s VAL 75 Cb -0.12 -4.34 0.17 0.00 0.00 0.00 0.00 36.38 32.10 1u6f s VAL 75 CO 0.16 -0.86 1.18 0.00 0.00 0.00 0.00 175.10 175.58 1u6f s ASP 77 N -4.27 6.70 0.00 0.00 -1.08 -0.09 -4.80 116.67 113.13 1u6f s ASP 77 Ca 0.67 0.84 0.16 0.00 -0.52 0.00 0.00 52.55 53.71 1u6f s ASP 77 Cb -0.11 -2.35 0.71 0.00 -1.46 0.00 0.00 42.92 39.71 1u6f s ASP 77 CO 0.53 -0.26 1.52 -2.11 0.52 0.00 0.00 175.17 175.37 1u6f n ARG 78 N 4.97 0.02 -0.00 4.34 1.85 -1.26 0.95 116.66 127.53 1u6f n ARG 78 Ca -0.01 0.21 -0.13 0.00 -1.00 0.00 0.00 57.85 56.92 1u6f n ARG 78 Cb 0.50 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.31 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 -0.06 -0.06 2.89 3.07 -1.95 -3.36 114.58 115.11 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 0.27 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1u6f h GLU 79 CO 0.00 0.50 0.00 0.25 -1.40 0.00 0.00 179.01 178.36 1u6f n THR 80 N -4.84 0.42 -2.46 1.13 -2.24 -1.20 -4.98 114.28 100.12 1u6f n THR 80 Ca -0.09 -0.71 -0.17 0.00 -2.27 0.00 0.00 64.05 60.81 1u6f n THR 80 Cb 0.29 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.08 -2.06 -4.06 -0.78 5.12 0.27 -4.96 116.66 110.26 1u6f n ARG 81 Ca 0.03 0.81 -0.23 0.00 -1.93 0.00 0.00 57.85 56.54 1u6f n ARG 81 Cb 0.19 -5.46 -0.06 0.00 -1.16 0.00 0.00 32.46 25.98 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 -5.08 2.45 -0.14 5.56 -0.21 -1.17 -4.86 119.66 116.23 1u6f s GLN 82 Ca 0.02 -1.48 -0.29 0.00 0.02 0.00 0.00 55.36 53.63 1u6f s GLN 82 Cb -0.01 -2.24 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 1u6f s GLN 82 CO 0.02 0.13 1.85 -1.12 -2.12 0.00 0.00 175.29 174.06 1u6f s SER 83 N -3.86 6.21 0.00 5.90 0.01 -1.26 -0.91 113.70 119.78 1u6f s SER 83 Ca 0.38 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.65 1u6f s SER 83 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1u6f s SER 83 CO 0.23 -1.34 0.00 -1.14 0.41 0.00 0.00 173.24 171.40 1u6f n ARG 84 N 7.84 0.00 0.00 12.44 0.63 -1.26 -4.72 116.66 131.58 1u6f n ARG 84 Ca 0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1u6f n ARG 84 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 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 0.38 3.83 5.14 0.00 -1.12 -4.11 105.19 109.32 1u6f n GLY 85 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.68 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 0.20 1.61 -0.85 -1.10 -4.56 117.35 112.66 1u6f s TYR 86 Ca 0.00 -0.25 0.01 0.00 -0.52 0.00 0.00 57.07 56.30 1u6f s TYR 86 Cb 0.00 0.62 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1u6f s TYR 86 CO 0.00 -0.60 0.05 0.41 -1.52 0.00 0.00 175.55 173.89 1u6f n GLY 87 N -0.67 3.65 3.10 5.49 0.00 0.41 0.15 105.19 117.32 1u6f n GLY 87 Ca -0.03 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.50 -0.17 -0.20 1.61 0.40 0.66 0.68 117.98 119.46 1u6f s PHE 88 Ca 0.04 0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 56.73 1u6f s PHE 88 Cb -0.00 0.05 0.06 0.00 0.51 0.00 0.00 43.02 43.64 1u6f s PHE 88 CO 0.02 -0.17 0.03 0.14 0.70 0.00 0.00 175.22 175.95 1u6f s VAL 89 N -0.30 0.57 -0.46 -0.44 -7.23 0.82 -0.07 120.40 113.28 1u6f s VAL 89 Ca -0.04 -0.60 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 1u6f s VAL 89 Cb -0.03 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.86 1u6f s VAL 89 CO 0.01 -0.22 0.87 -0.75 -0.31 0.00 0.00 175.10 174.70 1u6f s LYS 90 N 1.84 3.48 0.55 4.82 2.20 -0.28 -2.20 119.74 130.15 1u6f s LYS 90 Ca -0.01 0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.48 1u6f s LYS 90 Cb -0.17 -3.93 -0.06 0.00 -1.51 0.00 0.00 37.83 32.16 1u6f s LYS 90 CO -0.08 -1.19 1.05 -0.06 -0.36 0.00 0.00 175.35 174.71 1u6f s PHE 91 N 3.59 3.01 0.14 4.03 0.40 -0.54 0.13 117.98 128.73 1u6f s PHE 91 Ca 0.34 1.53 -0.26 0.00 -0.60 0.00 0.00 56.93 57.95 1u6f s PHE 91 Cb -0.11 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.38 1u6f s PHE 91 CO 0.25 -0.98 1.61 1.96 0.70 0.00 0.00 175.22 178.76 1u6f h GLN 92 N 0.86 -0.37 -6.41 0.44 4.20 -1.66 -3.41 115.11 108.76 1u6f h GLN 92 Ca -0.48 0.03 -0.63 0.00 0.06 0.00 0.00 58.65 57.63 1u6f h GLN 92 Cb 1.22 0.08 -0.25 0.00 0.30 0.00 0.00 27.48 28.83 1u6f h GLN 92 CO 0.58 -0.25 -0.86 0.45 -0.67 0.00 0.00 178.83 178.09 1u6f s SER 93 N -4.93 2.81 0.57 1.46 0.15 -1.26 -4.98 113.70 107.52 1u6f s SER 93 Ca -0.15 -0.59 0.28 0.00 0.70 0.00 0.00 55.95 56.19 1u6f s SER 93 Cb 0.10 -0.23 1.49 0.00 -1.71 0.00 0.00 66.02 65.67 1u6f s SER 93 CO 0.66 0.18 1.95 1.23 1.20 0.00 0.00 173.24 178.46 1u6f h GLY 94 N 4.63 0.00 2.00 9.45 0.00 -1.83 0.45 103.07 117.77 1u6f h GLY 94 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1u6f h GLY 94 CO 0.43 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.69 1u6f h SER 95 N 0.00 0.00 0.83 0.19 0.02 -1.95 -1.58 113.55 111.06 1u6f h SER 95 Ca 0.23 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.94 1u6f h SER 95 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1u6f h SER 95 CO -0.00 0.04 -1.15 0.28 -1.14 0.00 0.00 176.83 174.86 1u6f h SER 96 N 0.00 0.14 -0.86 3.07 0.02 -0.48 -3.30 113.55 112.14 1u6f h SER 96 Ca -0.00 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1u6f h SER 96 Cb 0.20 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 1u6f h SER 96 CO 0.01 1.13 0.57 0.00 -1.14 0.00 0.00 176.83 177.39 1u6f h ALA 97 N 0.85 1.11 -0.96 3.77 0.00 -1.29 0.11 119.26 122.85 1u6f h ALA 97 Ca -0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1u6f h ALA 97 Cb 1.86 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1u6f h ALA 97 CO 0.15 0.46 0.63 1.96 0.00 0.00 0.00 179.25 182.45 1u6f h GLN 98 N 1.14 1.20 -0.00 0.00 1.08 -1.61 0.33 115.11 117.23 1u6f h GLN 98 Ca 0.33 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 1u6f h GLN 98 Cb -0.08 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.06 1u6f h GLN 98 CO -0.09 0.79 -0.74 1.96 -0.95 0.00 0.00 178.83 179.80 1u6f h GLN 99 N 1.23 0.05 0.30 1.46 4.20 -1.42 -1.56 115.11 119.36 1u6f h GLN 99 Ca 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1u6f h GLN 99 Cb -0.03 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1u6f h GLN 99 CO -0.11 0.77 -0.14 0.00 -0.67 0.00 0.00 178.83 178.68 1u6f h ALA 100 N 1.22 -0.40 0.00 3.87 0.00 0.39 -1.99 119.26 122.35 1u6f h ALA 100 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1u6f h ALA 100 Cb 1.31 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1u6f h ALA 100 CO 0.10 -0.46 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 1u6f h ILE 101 N -0.92 0.63 -0.10 0.00 1.08 -0.47 0.97 117.51 118.70 1u6f h ILE 101 Ca -0.04 -0.13 -0.22 0.00 -0.39 0.00 0.00 64.86 64.07 1u6f h ILE 101 Cb 0.51 1.08 0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1u6f h ILE 101 CO 0.07 0.03 -0.81 0.00 -0.69 0.00 0.00 178.15 176.74 1u6f h ALA 102 N 1.97 0.24 -0.23 1.87 0.00 -1.22 -2.40 119.26 119.49 1u6f h ALA 102 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1u6f h ALA 102 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u6f h ALA 102 CO 0.00 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1u6f n GLY 103 N 0.82 3.28 0.00 0.00 0.00 -0.75 -4.70 105.19 103.84 1u6f n GLY 103 Ca -0.09 -0.51 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 -0.09 0.28 -4.67 0.99 4.77 0.33 -4.83 117.00 113.78 1u6f n LEU 104 Ca 0.12 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.66 1u6f n LEU 104 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 1u6f n LEU 104 CO 0.07 0.05 1.55 -3.20 -1.33 0.00 0.00 177.39 174.53 1u6f n ASN 105 N -1.21 3.95 -1.68 -1.43 5.15 -0.90 -0.78 115.26 118.35 1u6f n ASN 105 Ca 0.00 0.94 -0.18 0.00 -0.60 0.00 0.00 54.58 54.74 1u6f n ASN 105 Cb 0.11 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 37.80 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 4.43 1.29 3.53 8.20 0.00 0.70 -4.80 105.19 118.55 1u6f n GLY 106 Ca 0.20 0.00 -0.14 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 -2.48 0.92 -1.94 1.61 7.35 0.53 -4.53 117.46 118.92 1u6f n PHE 107 Ca -0.18 -0.05 -0.24 0.00 -0.76 0.00 0.00 57.45 56.21 1u6f n PHE 107 Cb 0.60 -2.30 -0.06 0.00 0.35 0.00 0.00 39.48 38.07 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 8.65 4.73 0.58 -2.13 4.22 -1.26 -0.46 114.94 129.28 1u6f s ASN 108 Ca 0.90 -0.98 -0.08 0.00 -2.14 0.00 0.00 52.86 50.56 1u6f s ASN 108 Cb -0.18 -2.57 -0.03 0.00 1.28 0.00 0.00 41.25 39.75 1u6f s ASN 108 CO 0.16 -3.26 0.94 -0.51 -2.04 0.00 0.00 177.10 172.39 1u6f s ILE 109 N 11.87 4.52 0.53 0.54 2.07 0.20 -4.94 121.20 136.00 1u6f s ILE 109 Ca 0.74 0.50 0.31 0.00 -1.41 0.00 0.00 60.65 60.78 1u6f s ILE 109 Cb -0.05 -3.78 0.48 0.00 0.13 0.00 0.00 42.46 39.24 1u6f s ILE 109 CO 0.08 -0.91 1.90 0.25 -1.91 0.00 0.00 174.94 174.34 1u6f h LEU 110 N -0.15 0.01 0.00 8.50 6.46 -2.04 -2.87 115.31 125.21 1u6f h LEU 110 Ca -0.45 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.20 1u6f h LEU 110 Cb 1.21 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 1u6f h LEU 110 CO 0.62 0.00 -0.77 -1.13 -0.62 0.00 0.00 178.44 176.54 1u6f h ASN 111 N 0.01 0.00 -1.66 1.25 -1.24 -1.98 -3.50 115.58 108.46 1u6f h ASN 111 Ca 0.42 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1u6f h ASN 111 Cb 1.65 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.70 1u6f h ASN 111 CO -0.01 1.11 0.00 1.17 -1.29 0.00 0.00 177.43 178.41 1u6f n LYS 112 N -4.54 0.00 -4.03 6.67 3.00 -1.08 -5.14 118.16 113.03 1u6f n LYS 112 Ca -0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.79 1u6f n LYS 112 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.34 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 -1.70 2.64 -0.21 1.64 3.52 -1.26 0.62 118.95 124.20 1u6f s ARG 113 Ca 0.00 -1.09 -0.29 0.00 -0.13 0.00 0.00 55.73 54.22 1u6f s ARG 113 Cb 0.00 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1u6f s ARG 113 CO 0.00 -0.42 1.64 -0.51 -0.81 0.00 0.00 175.30 175.19 1u6f s LEU 114 N 1.23 3.90 -0.27 -0.88 1.43 0.40 -4.78 118.68 119.71 1u6f s LEU 114 Ca -0.02 1.65 -0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1u6f s LEU 114 Cb -0.17 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1u6f s LEU 114 CO -0.07 -1.27 0.11 -0.75 0.23 0.00 0.00 176.35 174.61 1u6f s LYS 115 N 4.70 3.71 -0.09 1.70 2.20 -0.87 0.25 119.74 131.34 1u6f s LYS 115 Ca 0.72 -0.46 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 1u6f s LYS 115 Cb -0.26 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1u6f s LYS 115 CO 0.30 -0.21 -0.09 0.08 -0.36 0.00 0.00 175.35 175.07 1u6f s VAL 116 N 1.66 1.01 -0.06 4.02 1.01 -1.25 -0.97 120.40 125.81 1u6f s VAL 116 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1u6f s VAL 116 Cb -0.16 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1u6f s VAL 116 CO 0.06 0.35 -0.15 0.00 0.00 0.00 0.00 175.10 175.36 1u6f s ALA 117 N 1.32 1.40 0.06 5.51 0.00 0.17 -4.65 121.76 125.58 1u6f s ALA 117 Ca -0.02 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1u6f s ALA 117 Cb -0.14 -0.54 -0.07 0.00 0.00 0.00 0.00 23.12 22.37 1u6f s ALA 117 CO -0.04 0.19 1.47 -0.51 0.00 0.00 0.00 175.76 176.88 1u6f s LEU 118 N 0.37 4.35 -0.78 0.00 2.01 -1.26 0.21 118.68 123.58 1u6f s LEU 118 Ca -0.10 2.31 -0.15 0.00 0.01 0.00 0.00 54.13 56.20 1u6f s LEU 118 Cb -0.14 -3.57 -0.11 0.00 0.01 0.00 0.00 46.19 42.38 1u6f s LEU 118 CO 0.03 -0.75 1.95 0.00 1.01 0.00 0.00 176.35 178.60 1u6f n ALA 119 N 4.88 3.72 -2.82 4.21 0.00 -0.02 -4.82 120.51 125.67 1u6f n ALA 119 Ca 0.13 -2.61 -0.43 0.00 0.00 0.00 0.00 53.44 50.53 1u6f n ALA 119 Cb 0.42 -3.33 -0.01 0.00 0.00 0.00 0.00 19.45 16.53 1u6f n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6f s ALA 120 N 4.39 3.54 0.14 0.00 0.00 -1.26 -4.90 121.76 123.67 1u6f s ALA 120 Ca 0.48 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1u6f s ALA 120 Cb 0.12 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1u6f s ALA 120 CO 0.06 -3.04 0.00 0.43 0.00 0.00 0.00 175.76 173.20 1u6f n SER 121 N 6.86 -6.12 -3.76 0.00 7.64 -1.26 -4.83 113.62 112.15 1u6f n SER 121 Ca 0.36 0.64 -0.24 0.00 1.01 0.00 0.00 58.87 60.64 1u6f n SER 121 Cb 0.46 -1.83 -0.17 0.00 -1.01 0.00 0.00 64.21 61.65 1u6f n SER 121 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1u6f s GLY 122 N -5.60 0.50 0.82 0.23 0.00 -1.26 -5.15 107.32 96.87 1u6f s GLY 122 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 1u6f s GLY 122 CO 0.00 1.19 1.14 0.30 0.00 0.00 0.00 173.10 175.73 1u6f s HIS 123 N 1.96 1.65 0.00 1.90 3.76 -1.26 -4.50 115.29 118.81 1u6f s HIS 123 Ca 0.04 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1u6f s HIS 123 Cb -0.13 -3.49 0.00 0.00 1.11 0.00 0.00 32.58 30.07 1u6f s HIS 123 CO -0.06 -2.11 0.00 1.04 -0.85 0.00 0.00 174.74 172.77 1u6f n GLN 124 N -3.24 0.00 -2.90 1.40 6.02 -1.26 -4.75 117.38 112.65 1u6f n GLN 124 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1u6f n GLN 124 Cb 0.60 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.81 1u6f n GLN 124 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1u6f s ARG 125 N 0.00 3.66 0.25 -1.09 3.52 -1.26 -4.94 118.95 119.09 1u6f s ARG 125 Ca 0.00 0.26 -0.06 0.00 -0.13 0.00 0.00 55.73 55.80 1u6f s ARG 125 Cb 0.00 -3.86 0.26 0.00 -1.56 0.00 0.00 34.95 29.79 1u6f s ARG 125 CO 0.00 -1.00 1.92 -1.35 -0.81 0.00 0.00 175.30 174.06 1u6f h PRO 126 N 8.70 1.31 0.00 5.12 0.11 -1.85 -3.46 132.00 141.93 1u6f h PRO 126 Ca -0.24 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1u6f h PRO 126 Cb 1.09 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1u6f h PRO 126 CO 0.96 0.88 0.00 0.41 -0.21 0.00 0.00 178.00 180.04 1u6f n GLY 127 N -1.34 0.74 3.70 -0.55 0.00 -1.26 -5.05 105.19 101.42 1u6f n GLY 127 Ca 0.11 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1u6f n GLY 127 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u6f n ILE 128 N 0.00 2.05 0.00 -0.61 3.06 -1.26 -4.83 119.36 117.77 1u6f n ILE 128 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1u6f n ILE 128 Cb 0.00 -1.56 0.00 0.00 0.54 0.00 0.00 39.64 38.62 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1u6f n ALA 129 N 0.28 0.62 0.00 1.51 0.00 -1.26 -5.06 120.51 116.60 1u6f n ALA 129 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1u6f n ALA 129 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N -0.79 0.56 2.76 0.00 0.00 -1.26 -5.06 105.19 101.40 1u6f n GLY 130 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.62 -0.05 4.61 0.00 -1.26 -4.80 120.51 122.63 1u6f n ALA 131 Ca 0.00 -4.61 -0.05 0.00 0.00 0.00 0.00 53.44 48.78 1u6f n ALA 131 Cb 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 1u6f n ALA 131 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u6f n VAL 132 N 1.62 0.61 -1.84 0.00 0.24 -1.26 -4.75 118.33 112.95 1u6f n VAL 132 Ca 0.23 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 1u6f n VAL 132 Cb 0.37 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 31.93 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u6f n GLY 133 N 2.57 4.63 2.25 7.63 0.00 -1.26 -4.65 105.19 116.36 1u6f n GLY 133 Ca -0.16 -1.80 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1u6f n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u6f n ASP 134 N 4.02 5.38 0.00 1.61 9.92 -1.26 -4.97 116.55 131.24 1u6f n ASP 134 Ca 0.57 -3.69 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 1u6f n ASP 134 Cb 0.31 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u6f n GLY 135 N -1.05 2.24 3.93 0.44 0.00 -1.26 -5.16 105.19 104.33 1u6f n GLY 135 Ca 0.61 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1u6f n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u6f s ASN 136 N 0.00 4.54 -0.00 1.61 0.02 -1.26 -5.07 114.94 114.77 1u6f s ASN 136 Ca 0.00 0.38 -0.01 0.00 -1.02 0.00 0.00 52.86 52.22 1u6f s ASN 136 Cb 0.00 -0.92 -0.00 0.00 0.02 0.00 0.00 41.25 40.35 1u6f s ASN 136 CO 0.00 -1.79 -0.01 0.61 0.02 0.00 0.00 177.10 175.93 1u6f n GLY 137 N -3.05 -0.18 0.62 0.66 0.00 -1.26 -5.04 105.19 96.94 1u6f n GLY 137 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1u6f n GLY 137 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u6f n TYR 138 N -2.60 0.00 0.08 1.61 4.02 -1.26 -5.32 117.16 113.69 1u6f n TYR 138 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.89 1u6f n TYR 138 Cb 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.34 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13