#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f n SER 2 N 0.00 0.00 -2.06 7.83 3.41 -1.26 -5.14 113.62 116.40 1u6f n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u6f n SER 2 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1u6f n SER 2 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1u6f n GLN 3 N -0.92 -5.24 -4.14 4.33 7.27 -1.26 -5.06 117.38 112.37 1u6f n GLN 3 Ca 0.00 3.75 -0.15 0.00 0.07 0.00 0.00 57.00 60.67 1u6f n GLN 3 Cb 0.00 -4.17 -0.12 0.00 2.41 0.00 0.00 30.24 28.36 1u6f n GLN 3 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1u6f s ILE 4 N -0.51 0.63 0.91 1.69 -4.36 -1.26 -5.16 121.20 113.14 1u6f s ILE 4 Ca 0.00 -0.86 -0.12 0.00 -0.26 0.00 0.00 60.65 59.40 1u6f s ILE 4 Cb 0.00 -0.63 0.13 0.00 1.25 0.00 0.00 42.46 43.21 1u6f s ILE 4 CO 0.00 -0.19 1.11 -2.16 0.24 0.00 0.00 174.94 173.95 1u6f s PRO 5 N -1.15 1.18 -0.13 0.37 0.04 -1.26 -5.00 135.00 129.04 1u6f s PRO 5 Ca -0.05 0.46 0.16 0.00 0.04 0.00 0.00 61.00 61.62 1u6f s PRO 5 Cb -0.08 -1.83 0.29 0.00 0.04 0.00 0.00 34.50 32.93 1u6f s PRO 5 CO 0.00 -2.21 1.15 1.28 0.04 0.00 0.00 177.00 177.27 1u6f n LEU 6 N -3.80 2.19 0.00 -3.56 4.77 -1.26 -4.95 117.00 110.39 1u6f n LEU 6 Ca 0.06 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1u6f n LEU 6 Cb 0.58 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1u6f n LEU 6 CO 0.57 0.79 0.00 0.52 -1.33 0.00 0.00 177.39 177.94 1u6f n VAL 7 N -1.23 0.00 -1.81 4.08 0.31 -1.26 -4.91 118.33 113.52 1u6f n VAL 7 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1u6f n VAL 7 Cb 0.66 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u6f n SER 8 N 0.00 -2.09 0.13 4.52 3.41 -1.26 -4.95 113.62 113.38 1u6f n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u6f n SER 8 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u6f n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6f n GLN 9 N -0.67 0.00 0.00 4.33 6.02 -1.26 -5.05 117.38 120.74 1u6f n GLN 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1u6f n GLN 9 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 -3.14 0.00 -2.46 1.08 4.02 -1.26 -4.76 117.16 110.64 1u6f n TYR 10 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1u6f n TYR 10 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 1.43 -6.72 -4.37 7.72 9.92 -1.26 -4.95 116.55 118.32 1u6f n ASP 11 Ca 0.00 1.06 -0.34 0.00 -0.53 0.00 0.00 54.79 54.98 1u6f n ASP 11 Cb 0.00 -4.41 0.09 0.00 -0.64 0.00 0.00 41.12 36.16 1u6f n ASP 11 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1u6f n PRO 12 N 0.47 -0.07 -3.25 -0.24 -0.02 -1.26 -5.03 135.00 125.59 1u6f n PRO 12 Ca 0.01 0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 1u6f n PRO 12 Cb 0.03 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1u6f n PRO 12 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1u6f s TYR 13 N -2.20 -1.30 0.00 6.00 2.02 -1.26 -5.17 117.35 115.45 1u6f s TYR 13 Ca 0.57 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.84 1u6f s TYR 13 Cb -0.25 0.53 0.00 0.00 -0.40 0.00 0.00 41.96 41.83 1u6f s TYR 13 CO 0.67 -0.69 0.00 0.41 -1.57 0.00 0.00 175.55 174.36 1u6f n GLY 14 N 5.41 2.43 3.53 0.71 0.00 -1.26 -5.09 105.19 110.92 1u6f n GLY 14 Ca -0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1u6f n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u6f s GLN 15 N -0.30 3.42 0.19 1.61 1.11 -1.26 -5.00 119.66 119.44 1u6f s GLN 15 Ca 0.00 -0.90 -0.17 0.00 0.01 0.00 0.00 55.36 54.30 1u6f s GLN 15 Cb 0.00 -4.84 -0.08 0.00 -1.01 0.00 0.00 33.01 27.08 1u6f s GLN 15 CO 0.00 -2.11 0.65 0.99 0.01 0.00 0.00 175.29 174.84 1u6f s THR 16 N 4.87 4.69 -0.47 -0.19 2.01 -1.26 -5.05 115.64 120.24 1u6f s THR 16 Ca 0.39 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.50 1u6f s THR 16 Cb -0.05 -3.80 0.16 0.00 0.01 0.00 0.00 72.50 68.82 1u6f s THR 16 CO -0.00 0.21 0.33 0.00 -0.69 0.00 0.00 174.62 174.46 1u6f s ALA 17 N -1.51 2.05 -0.41 7.40 0.00 -1.26 -4.95 121.76 123.07 1u6f s ALA 17 Ca 0.41 -2.70 -0.14 0.00 0.00 0.00 0.00 51.96 49.53 1u6f s ALA 17 Cb -0.16 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1u6f s ALA 17 CO 0.20 -2.04 0.54 1.04 0.00 0.00 0.00 175.76 175.50 1u6f n GLN 18 N 3.02 -2.44 -2.37 0.00 1.13 -1.26 -4.72 117.38 110.74 1u6f n GLN 18 Ca 0.19 2.16 -0.00 0.00 -1.94 0.00 0.00 57.00 57.41 1u6f n GLN 18 Cb 0.40 -5.59 -0.00 0.00 0.11 0.00 0.00 30.24 25.16 1u6f n GLN 18 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1u6f n LEU 19 N -0.22 -6.71 -4.73 1.08 4.77 -1.26 -4.93 117.00 105.01 1u6f n LEU 19 Ca 0.11 2.88 -0.40 0.00 -0.03 0.00 0.00 56.01 58.57 1u6f n LEU 19 Cb 0.41 -3.28 -0.05 0.00 -2.33 0.00 0.00 43.42 38.17 1u6f n LEU 19 CO 0.47 -2.99 0.50 -1.10 -1.33 0.00 0.00 177.39 172.94 1u6f s GLN 20 N -0.62 4.52 -0.71 3.23 -1.52 -1.26 -5.01 119.66 118.30 1u6f s GLN 20 Ca -0.00 1.12 -0.22 0.00 -1.95 0.00 0.00 55.36 54.30 1u6f s GLN 20 Cb 0.00 -3.39 0.07 0.00 -0.22 0.00 0.00 33.01 29.48 1u6f s GLN 20 CO 0.01 0.21 1.01 -0.65 -0.25 0.00 0.00 175.29 175.62 1u6f s GLN 21 N 0.19 3.19 -0.26 2.91 1.11 -1.26 -4.95 119.66 120.59 1u6f s GLN 21 Ca 0.41 -0.92 -0.01 0.00 0.01 0.00 0.00 55.36 54.84 1u6f s GLN 21 Cb -0.20 -4.34 0.13 0.00 -1.01 0.00 0.00 33.01 27.59 1u6f s GLN 21 CO 0.24 -1.84 0.33 -0.51 0.01 0.00 0.00 175.29 173.51 1u6f s LEU 22 N 4.02 -0.43 -0.06 2.90 1.43 -1.26 -4.99 118.68 120.29 1u6f s LEU 22 Ca 0.25 -0.33 0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1u6f s LEU 22 Cb -0.14 0.76 -0.29 0.00 0.03 0.00 0.00 46.19 46.55 1u6f s LEU 22 CO 0.07 -0.35 0.35 1.67 0.23 0.00 0.00 176.35 178.33 1u6f n GLN 23 N 5.33 0.68 -0.90 1.70 7.27 -1.26 -5.11 117.38 125.10 1u6f n GLN 23 Ca -0.03 -0.14 0.12 0.00 0.07 0.00 0.00 57.00 57.02 1u6f n GLN 23 Cb 0.48 -1.46 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 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 -2.28 -1.83 -2.11 3.69 7.27 -1.26 -4.89 117.38 115.96 1u6f n GLN 24 Ca -0.09 1.23 -0.18 0.00 0.07 0.00 0.00 57.00 58.03 1u6f n GLN 24 Cb 0.63 -2.23 -0.03 0.00 2.41 0.00 0.00 30.24 31.02 1u6f n GLN 24 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1u6f n GLN 25 N -3.11 -1.41 -1.20 3.69 7.27 -1.26 -4.73 117.38 116.63 1u6f n GLN 25 Ca 0.00 0.96 0.16 0.00 0.07 0.00 0.00 57.00 58.19 1u6f n GLN 25 Cb 0.41 -5.41 -0.04 0.00 2.41 0.00 0.00 30.24 27.61 1u6f n GLN 25 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1u6f n GLN 26 N -2.68 -2.42 -1.14 3.69 6.02 -1.26 -4.90 117.38 114.69 1u6f n GLN 26 Ca -0.21 1.64 -0.05 0.00 -0.01 0.00 0.00 57.00 58.38 1u6f n GLN 26 Cb 0.65 -2.96 -0.03 0.00 1.02 0.00 0.00 30.24 28.92 1u6f n GLN 26 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u6f n GLN 27 N -3.63 0.18 -2.50 -1.09 0.00 -1.26 -5.03 117.38 104.06 1u6f n GLN 27 Ca -0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 57.00 56.17 1u6f n GLN 27 Cb 0.64 0.47 -0.03 0.00 0.00 0.00 0.00 30.24 31.32 1u6f n GLN 27 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u6f n GLN 28 N -0.21 -4.93 -2.70 3.69 7.27 -1.26 -4.79 117.38 114.45 1u6f n GLN 28 Ca -0.20 3.64 -0.02 0.00 0.07 0.00 0.00 57.00 60.49 1u6f n GLN 28 Cb 0.63 -4.95 -0.02 0.00 2.41 0.00 0.00 30.24 28.31 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 1.79 -4.02 0.04 3.69 8.25 -1.26 -4.88 115.22 118.83 1u6f n HIS 29 Ca -0.24 2.02 -0.06 0.00 -0.26 0.00 0.00 57.72 59.17 1u6f n HIS 29 Cb 0.37 -3.85 -0.11 0.00 1.12 0.00 0.00 29.99 27.53 1u6f n HIS 29 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1u6f h ILE 30 N 3.52 1.24 -0.53 1.59 6.09 -2.01 -3.32 117.51 124.10 1u6f h ILE 30 Ca -0.22 -2.95 0.09 0.00 -1.37 0.00 0.00 64.86 60.41 1u6f h ILE 30 Cb 0.52 2.60 -0.07 0.00 0.47 0.00 0.00 36.82 40.34 1u6f h ILE 30 CO 0.06 0.71 0.12 -0.65 -3.07 0.00 0.00 178.15 175.32 1u6f h PRO 31 N 0.00 0.25 0.09 2.19 0.11 -2.00 -3.27 132.00 129.36 1u6f h PRO 31 Ca -0.12 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1u6f h PRO 31 Cb 1.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.85 1u6f h PRO 31 CO 0.10 0.17 -0.04 -1.35 -0.21 0.00 0.00 178.00 176.67 1u6f h PRO 32 N 0.26 -0.11 -4.15 1.05 0.11 -1.95 -3.46 132.00 123.75 1u6f h PRO 32 Ca 0.27 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 1u6f h PRO 32 Cb 0.36 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1u6f h PRO 32 CO -0.34 -0.08 -0.15 -2.37 -0.21 0.00 0.00 178.00 174.86 1u6f n THR 33 N -2.70 -0.25 0.00 -1.15 5.66 -1.24 -4.43 114.28 110.18 1u6f n THR 33 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1u6f n THR 33 Cb 0.05 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.02 1u6f n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f n GLN 34 N -2.51 0.00 0.00 1.09 1.13 -1.26 -5.08 117.38 110.75 1u6f n GLN 34 Ca -0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1u6f n GLN 34 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1u6f n GLN 34 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1u6f n MET 35 N 0.00 0.00 -2.69 -1.09 2.81 -1.26 -4.93 117.12 109.96 1u6f n MET 35 Ca 0.00 0.42 -0.06 0.00 -1.81 0.00 0.00 57.70 56.25 1u6f n MET 35 Cb 0.00 -0.94 0.08 0.00 -0.71 0.00 0.00 33.22 31.65 1u6f n MET 35 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1u6f n ASN 36 N -1.76 -1.74 -1.90 7.83 2.85 -1.26 -5.02 115.26 114.27 1u6f n ASN 36 Ca 0.00 -2.56 -0.12 0.00 -0.11 0.00 0.00 54.58 51.79 1u6f n ASN 36 Cb 0.00 1.35 -0.04 0.00 1.24 0.00 0.00 39.78 42.33 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1u6f n PRO 37 N -0.00 1.70 -3.40 1.20 -0.04 -1.26 -4.79 135.00 128.41 1u6f n PRO 37 Ca -0.05 -1.07 -0.44 0.00 -0.04 0.00 0.00 63.50 61.89 1u6f n PRO 37 Cb 0.74 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1u6f s GLU 38 N -0.57 3.62 0.35 0.54 0.41 -1.26 -4.88 118.70 116.91 1u6f s GLU 38 Ca 0.34 -2.74 0.10 0.00 -0.41 0.00 0.00 54.97 52.26 1u6f s GLU 38 Cb 0.21 -4.34 0.66 0.00 -1.78 0.00 0.00 34.13 28.88 1u6f s GLU 38 CO -0.04 -1.26 1.82 -1.00 -0.49 0.00 0.00 175.26 174.29 1u6f h PRO 39 N 7.25 0.16 0.00 0.39 0.13 -2.02 -2.68 132.00 135.23 1u6f h PRO 39 Ca 0.12 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 1u6f h PRO 39 Cb 0.97 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1u6f h PRO 39 CO 0.82 0.45 -0.42 0.38 -0.23 0.00 0.00 178.00 179.00 1u6f h ASP 40 N 0.15 0.00 -3.56 1.44 3.04 -2.01 -3.36 116.42 112.12 1u6f h ASP 40 Ca 0.02 0.00 -0.80 0.00 -3.24 0.00 0.00 57.03 53.01 1u6f h ASP 40 Cb 0.60 0.00 -0.28 0.00 -1.04 0.00 0.00 39.33 38.61 1u6f h ASP 40 CO 0.04 0.42 0.45 -0.69 -2.04 0.00 0.00 179.24 177.42 1u6f s VAL 41 N -3.80 5.99 -0.11 4.15 1.01 -1.01 -4.68 120.40 121.95 1u6f s VAL 41 Ca -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 61.98 58.52 1u6f s VAL 41 Cb 0.12 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1u6f s VAL 41 CO 0.71 -1.19 -0.11 0.18 0.00 0.00 0.00 175.10 174.69 1u6f n LEU 42 N 2.70 2.10 0.00 3.92 4.77 -1.26 -4.58 117.00 124.65 1u6f n LEU 42 Ca 0.24 0.02 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1u6f n LEU 42 Cb 0.39 -0.35 0.77 0.00 -2.33 0.00 0.00 43.42 41.90 1u6f n LEU 42 CO 0.47 0.50 0.97 -2.11 -1.33 0.00 0.00 177.39 175.88 1u6f n ARG 43 N -3.09 0.72 -2.33 3.23 -4.01 -1.26 -4.58 116.66 105.35 1u6f n ARG 43 Ca -0.20 0.01 -0.42 0.00 -1.04 0.00 0.00 57.85 56.20 1u6f n ARG 43 Cb 0.68 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.58 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 -3.04 0.00 0.00 177.63 175.80 1u6f s ASN 44 N -2.15 6.08 -0.24 2.89 3.04 -1.26 -1.27 114.94 122.03 1u6f s ASN 44 Ca 0.37 0.46 -0.04 0.00 0.04 0.00 0.00 52.86 53.69 1u6f s ASN 44 Cb 0.18 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.36 1u6f s ASN 44 CO 0.34 -1.71 -0.03 -0.76 -3.04 0.00 0.00 177.10 171.90 1u6f s LEU 45 N 6.23 3.14 -0.45 3.21 1.43 -0.94 -1.60 118.68 129.70 1u6f s LEU 45 Ca 0.57 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1u6f s LEU 45 Cb -0.12 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1u6f s LEU 45 CO 0.27 -0.08 0.67 -0.32 0.23 0.00 0.00 176.35 177.11 1u6f s MET 46 N 1.44 3.28 -0.15 1.70 -2.45 0.32 -0.43 119.30 123.01 1u6f s MET 46 Ca 0.04 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 54.03 1u6f s MET 46 Cb -0.15 -3.97 -0.04 0.00 1.25 0.00 0.00 34.83 31.92 1u6f s MET 46 CO -0.03 -1.06 0.06 0.54 1.05 0.00 0.00 175.02 175.58 1u6f s VAL 47 N 2.90 4.79 0.00 10.11 0.11 0.30 0.59 120.40 139.20 1u6f s VAL 47 Ca 0.23 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 59.20 1u6f s VAL 47 Cb -0.14 -3.12 -0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1u6f s VAL 47 CO 0.19 0.52 0.06 0.21 -3.33 0.00 0.00 175.10 172.74 1u6f s ASN 48 N -0.10 0.08 0.33 3.54 2.47 0.23 -0.18 114.94 121.31 1u6f s ASN 48 Ca 0.07 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.13 1u6f s ASN 48 Cb -0.12 0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.84 1u6f s ASN 48 CO 0.01 -0.25 0.00 0.00 -3.72 0.00 0.00 177.10 173.14 1u6f n TYR 49 N 1.92 -4.01 -3.87 0.43 9.36 -1.26 -2.09 117.16 117.64 1u6f n TYR 49 Ca -0.20 1.14 -0.21 0.00 3.32 0.00 0.00 57.90 61.94 1u6f n TYR 49 Cb 0.56 2.97 -0.03 0.00 -0.63 0.00 0.00 39.34 42.21 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 -2.00 4.04 0.00 2.97 -4.36 -1.26 -5.06 121.20 115.53 1u6f s ILE 50 Ca 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 1u6f s ILE 50 Cb 0.00 -3.34 0.00 0.00 1.25 0.00 0.00 42.46 40.37 1u6f s ILE 50 CO 0.00 -0.24 0.00 -0.81 0.24 0.00 0.00 174.94 174.13 1u6f n PRO 51 N -1.36 0.00 0.00 0.37 -0.04 -1.26 -4.37 135.00 128.34 1u6f n PRO 51 Ca -0.04 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1u6f n PRO 51 Cb 0.59 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.75 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 0.08 -0.01 0.52 -1.04 -1.26 -3.25 114.28 109.33 1u6f n THR 52 Ca 0.00 0.02 0.07 0.00 -2.04 0.00 0.00 64.05 62.10 1u6f n THR 52 Cb 0.00 -0.56 0.26 0.00 -1.82 0.00 0.00 70.33 68.22 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1u6f n THR 53 N -1.29 1.27 -2.13 12.58 -1.04 -1.26 -4.69 114.28 117.72 1u6f n THR 53 Ca 0.13 -0.85 -0.42 0.00 -2.04 0.00 0.00 64.05 60.86 1u6f n THR 53 Cb 0.23 0.07 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 1u6f n THR 53 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1u6f s VAL 54 N -1.70 3.70 -0.24 12.58 -7.23 -1.20 -4.91 120.40 121.40 1u6f s VAL 54 Ca 0.38 0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 61.47 1u6f s VAL 54 Cb 0.24 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.59 1u6f s VAL 54 CO 0.19 -0.06 -0.06 -1.81 -0.31 0.00 0.00 175.10 173.05 1u6f s ASP 55 N 2.65 4.24 0.61 4.85 1.01 -1.26 -4.95 116.67 123.83 1u6f s ASP 55 Ca 0.68 -0.77 0.32 0.00 0.71 0.00 0.00 52.55 53.49 1u6f s ASP 55 Cb -0.31 -1.67 1.83 0.00 1.01 0.00 0.00 42.92 43.78 1u6f s ASP 55 CO 0.26 -0.10 2.15 1.05 0.21 0.00 0.00 175.17 178.74 1u6f h GLU 56 N 8.03 0.00 0.32 8.23 4.11 -1.97 -2.34 114.58 130.97 1u6f h GLU 56 Ca -0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.06 1u6f h GLU 56 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1u6f h GLU 56 CO 0.59 0.00 -0.15 0.28 0.07 0.00 0.00 179.01 179.79 1u6f h VAL 57 N 0.00 0.47 -0.82 -1.06 2.07 -1.97 0.79 116.25 115.73 1u6f h VAL 57 Ca 0.05 -0.77 0.17 0.00 0.82 0.00 0.00 66.70 66.97 1u6f h VAL 57 Cb 0.35 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 1u6f h VAL 57 CO -0.00 0.11 0.34 1.56 0.02 0.00 0.00 177.57 179.59 1u6f h GLN 58 N -0.96 0.42 0.00 1.57 1.08 -1.85 0.43 115.11 115.79 1u6f h GLN 58 Ca -0.04 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 1u6f h GLN 58 Cb 0.50 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1u6f h GLN 58 CO 0.07 0.28 -0.67 -0.07 -0.95 0.00 0.00 178.83 177.48 1u6f h LEU 59 N 0.43 0.00 0.46 1.46 3.38 -1.53 -2.53 115.31 116.98 1u6f h LEU 59 Ca 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 1u6f h LEU 59 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1u6f h LEU 59 CO -0.46 0.67 -0.27 -0.09 0.09 0.00 0.00 178.44 178.38 1u6f h ARG 60 N 0.00 -0.66 -0.18 1.13 1.12 0.51 1.50 114.38 117.80 1u6f h ARG 60 Ca -0.01 0.05 -0.16 0.00 -1.11 0.00 0.00 59.98 58.75 1u6f h ARG 60 Cb 1.45 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.57 1u6f h ARG 60 CO 0.09 -0.44 -0.50 1.96 -3.11 0.00 0.00 179.97 177.97 1u6f h GLN 61 N -0.69 0.66 -0.48 0.20 4.20 -1.30 0.31 115.11 118.01 1u6f h GLN 61 Ca -0.05 -0.47 -0.11 0.00 0.06 0.00 0.00 58.65 58.08 1u6f h GLN 61 Cb 0.56 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1u6f h GLN 61 CO 0.07 1.09 -0.13 1.25 -0.67 0.00 0.00 178.83 180.43 1u6f h LEU 62 N 0.34 0.94 0.00 1.46 5.85 -1.39 -2.19 115.31 120.32 1u6f h LEU 62 Ca -0.01 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 1u6f h LEU 62 Cb 1.12 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1u6f h LEU 62 CO 0.11 1.09 -0.51 -0.26 -0.34 0.00 0.00 178.44 178.53 1u6f h PHE 63 N 0.78 0.00 -0.43 1.25 -1.00 0.21 -3.33 116.94 114.41 1u6f h PHE 63 Ca 0.12 0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.02 1u6f h PHE 63 Cb 0.69 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1u6f h PHE 63 CO 0.05 1.16 0.34 1.05 -1.61 0.00 0.00 178.31 179.31 1u6f h GLU 64 N -1.00 0.00 -0.48 1.51 4.11 -0.41 -0.18 114.58 118.14 1u6f h GLU 64 Ca -0.14 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.34 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 -0.08 0.00 0.20 -0.09 0.07 0.00 0.00 179.01 179.11 1u6f h ARG 65 N 0.00 0.39 0.00 1.06 9.65 -1.50 -0.34 114.38 123.64 1u6f h ARG 65 Ca 0.21 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1u6f h ARG 65 Cb 0.89 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1u6f h ARG 65 CO -0.00 0.26 -0.34 0.66 2.80 0.00 0.00 179.97 183.34 1u6f n TYR 66 N -4.96 0.67 -3.07 2.20 4.02 -0.26 -4.73 117.16 111.04 1u6f n TYR 66 Ca 0.04 0.20 0.04 0.00 -0.01 0.00 0.00 57.90 58.16 1u6f n TYR 66 Cb 0.16 -0.75 -0.00 0.00 -0.02 0.00 0.00 39.34 38.73 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 -1.19 -0.35 2.72 0.00 -0.24 -4.60 107.32 100.09 1u6f s GLY 67 Ca 0.08 1.43 -0.43 0.00 0.00 0.00 0.00 44.72 45.80 1u6f s GLY 67 CO 0.66 4.00 1.63 -1.05 0.00 0.00 0.00 173.10 178.34 1u6f n PRO 68 N 4.76 0.58 -2.79 2.90 -0.02 -0.25 -3.92 135.00 136.26 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 32.19 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 2.98 4.26 -0.24 4.25 -4.36 -1.26 -0.39 121.20 126.44 1u6f s ILE 69 Ca 1.00 1.74 0.02 0.00 -0.26 0.00 0.00 60.65 63.15 1u6f s ILE 69 Cb -1.27 -3.91 -0.15 0.00 1.25 0.00 0.00 42.46 38.38 1u6f s ILE 69 CO 0.72 0.03 -0.21 1.21 0.24 0.00 0.00 174.94 176.93 1u6f n GLU 70 N 0.28 0.59 -3.47 0.37 2.13 0.26 -4.68 120.64 116.12 1u6f n GLU 70 Ca 0.03 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.80 1u6f n GLU 70 Cb 0.51 -1.47 -0.12 0.00 0.27 0.00 0.00 31.44 30.63 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1u6f s SER 71 N -6.30 1.70 -0.09 4.31 0.15 -1.06 -5.04 113.70 107.36 1u6f s SER 71 Ca -0.32 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 55.82 1u6f s SER 71 Cb 0.08 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1u6f s SER 71 CO 0.54 -0.36 0.01 0.54 1.20 0.00 0.00 173.24 175.18 1u6f s VAL 72 N 2.31 4.41 -0.10 4.45 0.11 -1.26 -1.20 120.40 129.12 1u6f s VAL 72 Ca 0.08 -0.21 -0.22 0.00 -2.93 0.00 0.00 61.98 58.70 1u6f s VAL 72 Cb -0.15 -2.87 0.05 0.00 -1.53 0.00 0.00 36.38 31.88 1u6f s VAL 72 CO -0.20 0.60 0.54 -0.75 -3.33 0.00 0.00 175.10 171.95 1u6f s LYS 73 N -0.83 0.80 -0.12 1.54 2.20 0.24 -4.97 119.74 118.60 1u6f s LYS 73 Ca 0.13 0.34 -0.09 0.00 -0.36 0.00 0.00 55.97 55.99 1u6f s LYS 73 Cb -0.11 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1u6f s LYS 73 CO 0.02 -0.19 0.18 0.42 -0.36 0.00 0.00 175.35 175.42 1u6f s ILE 74 N -0.65 5.42 -0.75 5.43 1.01 -1.26 0.27 121.20 130.66 1u6f s ILE 74 Ca -0.07 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 1u6f s ILE 74 Cb -0.03 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.02 1u6f s ILE 74 CO 0.05 0.56 1.18 -0.69 0.00 0.00 0.00 174.94 176.05 1u6f s VAL 75 N -0.65 3.98 0.96 2.92 1.01 0.41 -4.80 120.40 124.22 1u6f s VAL 75 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1u6f s VAL 75 Cb -0.12 -4.85 0.16 0.00 0.00 0.00 0.00 36.38 31.57 1u6f s VAL 75 CO 0.04 -1.72 1.13 0.00 0.00 0.00 0.00 175.10 174.55 1u6f s ASP 77 N -3.85 6.62 0.00 0.00 2.15 -0.20 -4.75 116.67 116.64 1u6f s ASP 77 Ca 0.65 0.73 0.18 0.00 0.43 0.00 0.00 52.55 54.54 1u6f s ASP 77 Cb -0.16 -2.25 0.77 0.00 -0.30 0.00 0.00 42.92 40.98 1u6f s ASP 77 CO 0.55 0.06 1.56 -2.11 -0.17 0.00 0.00 175.17 175.06 1u6f n ARG 78 N 3.45 0.03 -0.01 4.34 -4.01 -1.26 0.93 116.66 120.13 1u6f n ARG 78 Ca -0.09 0.19 -0.13 0.00 -1.04 0.00 0.00 57.85 56.78 1u6f n ARG 78 Cb 0.52 -1.50 -0.10 0.00 -3.04 0.00 0.00 32.46 28.34 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1u6f h GLU 79 N 0.00 -0.06 -0.03 2.89 4.39 -1.96 -3.37 114.58 116.44 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u6f h GLU 79 Cb 0.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1u6f h GLU 79 CO 0.00 0.53 0.00 0.25 -1.16 0.00 0.00 179.01 178.63 1u6f n THR 80 N -4.82 0.25 -2.96 1.13 -2.24 -1.21 -4.99 114.28 99.44 1u6f n THR 80 Ca -0.09 -0.62 -0.21 0.00 -2.27 0.00 0.00 64.05 60.86 1u6f n THR 80 Cb 0.31 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.10 -3.77 -4.21 -0.78 5.12 0.26 -4.97 116.66 108.42 1u6f n ARG 81 Ca 0.02 0.77 -0.23 0.00 -1.93 0.00 0.00 57.85 56.49 1u6f n ARG 81 Cb 0.14 -5.54 -0.06 0.00 -1.16 0.00 0.00 32.46 25.85 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 -5.62 2.51 -0.80 5.56 -1.52 -1.19 -4.85 119.66 113.75 1u6f s GLN 82 Ca 0.25 -1.32 -0.26 0.00 -1.95 0.00 0.00 55.36 52.09 1u6f s GLN 82 Cb -0.12 -2.29 -0.22 0.00 -0.22 0.00 0.00 33.01 30.16 1u6f s GLN 82 CO 0.31 0.34 1.91 0.43 -0.25 0.00 0.00 175.29 178.03 1u6f n SER 83 N -1.02 1.96 -0.02 5.90 7.64 -1.26 -1.03 113.62 125.79 1u6f n SER 83 Ca -0.06 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1u6f n SER 83 Cb 0.59 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1u6f n SER 83 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1u6f n ARG 84 N 7.93 3.94 0.00 1.43 0.63 -1.26 -4.09 116.66 125.24 1u6f n ARG 84 Ca 0.45 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 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 5.00 0.43 3.82 5.14 0.00 -1.22 -3.97 105.19 114.38 1u6f n GLY 85 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 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 0.15 1.61 -0.85 -1.09 -4.63 117.35 112.54 1u6f s TYR 86 Ca 0.00 -0.25 0.10 0.00 -0.52 0.00 0.00 57.07 56.40 1u6f s TYR 86 Cb 0.00 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1u6f s TYR 86 CO 0.00 -0.60 -0.18 0.20 -1.52 0.00 0.00 175.55 173.45 1u6f s GLY 87 N -3.31 1.70 -0.06 5.49 0.00 0.75 0.15 107.32 112.04 1u6f s GLY 87 Ca 0.20 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.48 1u6f s GLY 87 CO 0.01 -1.47 -0.11 -1.36 0.00 0.00 0.00 173.10 170.17 1u6f s PHE 88 N -1.41 2.81 -0.19 1.90 0.40 0.76 0.11 117.98 122.35 1u6f s PHE 88 Ca 0.20 -0.10 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1u6f s PHE 88 Cb -0.09 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 41.82 1u6f s PHE 88 CO 0.11 0.23 0.04 0.14 0.70 0.00 0.00 175.22 176.45 1u6f s VAL 89 N -0.72 0.45 -0.31 -0.44 -7.23 0.43 0.81 120.40 113.39 1u6f s VAL 89 Ca 0.11 -0.53 -0.21 0.00 -1.81 0.00 0.00 61.98 59.53 1u6f s VAL 89 Cb -0.11 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.83 1u6f s VAL 89 CO 0.01 -0.23 0.69 -0.75 -0.31 0.00 0.00 175.10 174.50 1u6f s LYS 90 N 1.89 3.90 0.61 4.82 2.47 -0.34 -2.22 119.74 130.87 1u6f s LYS 90 Ca -0.00 0.38 -0.14 0.00 -1.56 0.00 0.00 55.97 54.64 1u6f s LYS 90 Cb -0.17 -3.74 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 1u6f s LYS 90 CO -0.09 -0.63 1.04 -0.06 0.16 0.00 0.00 175.35 175.78 1u6f s PHE 91 N 2.75 3.16 0.14 4.03 0.40 -0.40 0.92 117.98 128.97 1u6f s PHE 91 Ca 0.28 1.46 -0.26 0.00 -0.60 0.00 0.00 56.93 57.81 1u6f s PHE 91 Cb -0.15 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 1u6f s PHE 91 CO 0.12 -0.98 1.61 1.96 0.70 0.00 0.00 175.22 178.63 1u6f h GLN 92 N 0.13 -0.38 -6.17 0.44 4.20 -1.00 -3.40 115.11 108.94 1u6f h GLN 92 Ca -0.46 0.03 -0.58 0.00 0.06 0.00 0.00 58.65 57.70 1u6f h GLN 92 Cb 1.21 0.09 -0.24 0.00 0.30 0.00 0.00 27.48 28.83 1u6f h GLN 92 CO 0.58 -0.25 -0.84 -1.12 -0.67 0.00 0.00 178.83 176.53 1u6f s SER 93 N -4.93 2.55 0.52 1.46 0.01 -1.26 -4.93 113.70 107.13 1u6f s SER 93 Ca -0.15 -0.59 0.28 0.00 1.31 0.00 0.00 55.95 56.80 1u6f s SER 93 Cb 0.10 -0.19 1.42 0.00 0.21 0.00 0.00 66.02 67.56 1u6f s SER 93 CO 0.66 0.13 1.92 1.23 0.41 0.00 0.00 173.24 177.59 1u6f h GLY 94 N 4.57 0.09 2.00 3.44 0.00 -1.89 0.69 103.07 111.96 1u6f h GLY 94 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1u6f h GLY 94 CO 0.42 0.00 0.00 0.23 0.00 0.00 0.00 176.54 177.19 1u6f h SER 95 N 0.04 0.00 1.03 0.19 0.87 -1.95 -0.46 113.55 113.27 1u6f h SER 95 Ca 0.37 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.73 1u6f h SER 95 Cb 1.43 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1u6f h SER 95 CO -0.02 0.00 -0.99 0.28 -0.53 0.00 0.00 176.83 175.57 1u6f h SER 96 N 0.00 0.00 -0.74 6.23 0.02 0.01 -3.31 113.55 115.76 1u6f h SER 96 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1u6f h SER 96 Cb 0.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1u6f h SER 96 CO 0.00 0.90 0.49 0.00 -1.14 0.00 0.00 176.83 177.07 1u6f h ALA 97 N 1.10 0.94 -0.91 3.77 0.00 -1.12 -1.06 119.26 121.99 1u6f h ALA 97 Ca -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1u6f h ALA 97 Cb 1.72 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1u6f h ALA 97 CO 0.11 0.34 0.54 1.96 0.00 0.00 0.00 179.25 182.20 1u6f h GLN 98 N 0.99 0.86 0.00 0.00 1.08 -1.64 0.20 115.11 116.60 1u6f h GLN 98 Ca 0.27 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.29 1u6f h GLN 98 Cb -0.10 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.12 1u6f h GLN 98 CO -0.07 0.57 -0.63 1.96 -0.95 0.00 0.00 178.83 179.71 1u6f h GLN 99 N 0.89 0.00 0.30 1.46 4.20 -1.55 -1.77 115.11 118.63 1u6f h GLN 99 Ca 0.44 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 1u6f h GLN 99 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1u6f h GLN 99 CO -0.25 0.63 -0.15 0.00 -0.67 0.00 0.00 178.83 178.39 1u6f h ALA 100 N 1.37 -0.41 0.00 3.87 0.00 0.28 -1.93 119.26 122.44 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 1.21 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1u6f h ALA 100 CO 0.08 -0.46 -0.09 0.82 0.00 0.00 0.00 179.25 179.60 1u6f h ILE 101 N -0.93 0.70 -0.04 0.00 2.04 -0.79 1.22 117.51 119.71 1u6f h ILE 101 Ca -0.04 -0.36 -0.19 0.00 1.00 0.00 0.00 64.86 65.27 1u6f h ILE 101 Cb 0.51 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1u6f h ILE 101 CO 0.07 0.09 -0.78 0.00 0.00 0.00 0.00 178.15 177.52 1u6f h ALA 102 N 1.91 0.58 0.00 1.87 0.00 -1.28 -3.20 119.26 119.14 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 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u6f h ALA 102 CO 0.01 0.81 -0.26 0.41 0.00 0.00 0.00 179.25 180.23 1u6f n GLY 103 N 0.66 2.87 0.00 0.00 0.00 -0.73 -4.82 105.19 103.17 1u6f n GLY 103 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.75 0.39 -4.68 0.99 4.77 0.42 -4.85 117.00 113.29 1u6f n LEU 104 Ca 0.09 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.61 1u6f n LEU 104 Cb 0.68 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 1u6f n LEU 104 CO 0.00 0.07 1.51 -3.20 -1.33 0.00 0.00 177.39 174.43 1u6f n ASN 105 N -1.35 3.69 -0.88 -1.43 4.05 -1.18 -0.33 115.26 117.83 1u6f n ASN 105 Ca 0.00 0.96 -0.12 0.00 0.45 0.00 0.00 54.58 55.87 1u6f n ASN 105 Cb 0.12 -1.43 -0.05 0.00 1.23 0.00 0.00 39.78 39.64 1u6f n ASN 105 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1u6f n GLY 106 N 4.37 1.15 3.40 8.20 0.00 0.35 -4.81 105.19 117.86 1u6f n GLY 106 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.34 0.56 -1.97 1.61 -0.00 0.55 -4.50 117.46 111.37 1u6f n PHE 107 Ca -0.12 -0.07 -0.31 0.00 -0.00 0.00 0.00 57.45 56.96 1u6f n PHE 107 Cb 0.54 -1.71 -0.06 0.00 -0.00 0.00 0.00 39.48 38.26 1u6f n PHE 107 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1u6f n ASN 108 N 13.28 3.08 -4.85 -2.13 6.94 -1.26 -1.30 115.26 129.03 1u6f n ASN 108 Ca 0.34 -2.71 -0.31 0.00 -0.02 0.00 0.00 54.58 51.89 1u6f n ASN 108 Cb 0.43 -1.66 0.03 0.00 -2.36 0.00 0.00 39.78 36.21 1u6f n ASN 108 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1u6f s ILE 109 N 10.05 4.22 0.60 1.53 2.07 0.30 -4.91 121.20 135.05 1u6f s ILE 109 Ca 0.66 0.72 0.29 0.00 -1.41 0.00 0.00 60.65 60.91 1u6f s ILE 109 Cb 0.01 -3.62 0.38 0.00 0.13 0.00 0.00 42.46 39.37 1u6f s ILE 109 CO 0.13 -0.94 1.82 0.25 -1.91 0.00 0.00 174.94 174.29 1u6f h LEU 110 N -0.54 0.00 0.00 8.50 5.85 -2.04 -2.75 115.31 124.33 1u6f h LEU 110 Ca -0.44 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 57.84 1u6f h LEU 110 Cb 1.21 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 1u6f h LEU 110 CO 0.60 0.00 -2.50 -3.20 -0.34 0.00 0.00 178.44 173.00 1u6f n ASN 111 N -3.61 1.97 -1.84 1.25 2.85 -1.26 -5.08 115.26 109.54 1u6f n ASN 111 Ca 0.10 0.16 -0.07 0.00 -0.11 0.00 0.00 54.58 54.66 1u6f n ASN 111 Cb 0.78 -0.67 -0.03 0.00 1.24 0.00 0.00 39.78 41.10 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1u6f n LYS 112 N -3.88 0.19 -3.95 1.20 4.76 -1.04 -5.15 118.16 110.30 1u6f n LYS 112 Ca -0.51 -1.23 -0.30 0.00 -2.87 0.00 0.00 58.31 53.40 1u6f n LYS 112 Cb 0.93 1.05 -0.16 0.00 -1.84 0.00 0.00 35.03 35.01 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 -2.47 1.77 -0.98 1.97 3.52 -1.26 0.11 118.95 121.62 1u6f s ARG 113 Ca 0.14 -0.73 -0.23 0.00 -0.13 0.00 0.00 55.73 54.78 1u6f s ARG 113 Cb 0.00 -2.28 0.05 0.00 -1.56 0.00 0.00 34.95 31.17 1u6f s ARG 113 CO 0.10 -0.44 1.42 -0.51 -0.81 0.00 0.00 175.30 175.05 1u6f s LEU 114 N 1.49 3.50 -0.27 -0.88 1.02 -0.42 -4.61 118.68 118.51 1u6f s LEU 114 Ca -0.01 -1.32 -0.26 0.00 0.02 0.00 0.00 54.13 52.56 1u6f s LEU 114 Cb -0.16 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.49 1u6f s LEU 114 CO -0.08 -1.54 0.89 -0.75 0.02 0.00 0.00 176.35 174.89 1u6f s LYS 115 N 5.02 4.12 -0.06 1.70 2.20 -0.89 0.13 119.74 131.96 1u6f s LYS 115 Ca 0.44 0.93 0.02 0.00 -0.36 0.00 0.00 55.97 57.01 1u6f s LYS 115 Cb -0.01 -3.68 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1u6f s LYS 115 CO -0.06 -0.64 -0.12 0.08 -0.36 0.00 0.00 175.35 174.25 1u6f s VAL 116 N 3.06 1.07 -0.01 4.02 1.01 -1.25 0.75 120.40 129.04 1u6f s VAL 116 Ca 0.37 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1u6f s VAL 116 Cb -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1u6f s VAL 116 CO 0.10 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.48 1u6f s ALA 117 N 0.58 0.56 -0.04 5.51 0.00 0.20 -4.70 121.76 123.88 1u6f s ALA 117 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1u6f s ALA 117 Cb -0.15 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 1u6f s ALA 117 CO 0.03 0.10 2.02 -0.51 0.00 0.00 0.00 175.76 177.39 1u6f s LEU 118 N 0.12 4.17 -0.78 0.00 2.01 -1.26 0.12 118.68 123.06 1u6f s LEU 118 Ca -0.01 2.44 -0.20 0.00 0.01 0.00 0.00 54.13 56.37 1u6f s LEU 118 Cb -0.06 -3.53 0.11 0.00 0.01 0.00 0.00 46.19 42.73 1u6f s LEU 118 CO -0.00 -1.29 0.99 0.00 1.01 0.00 0.00 176.35 177.05 1u6f s ALA 119 N 5.46 3.33 0.33 4.21 0.00 -0.63 -4.85 121.76 129.61 1u6f s ALA 119 Ca 0.91 -2.42 0.10 0.00 0.00 0.00 0.00 51.96 50.55 1u6f s ALA 119 Cb -0.40 -3.87 0.59 0.00 0.00 0.00 0.00 23.12 19.44 1u6f s ALA 119 CO 0.39 -2.77 1.76 0.00 0.00 0.00 0.00 175.76 175.14 1u6f h ALA 120 N 9.07 1.25 -2.71 0.00 0.00 -1.87 -3.45 119.26 121.54 1u6f h ALA 120 Ca -0.06 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1u6f h ALA 120 Cb 1.05 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.66 1u6f h ALA 120 CO 1.11 0.54 0.33 -1.12 0.00 0.00 0.00 179.25 180.11 1u6f s SER 121 N -6.90 -0.39 0.00 0.00 0.01 -1.26 -4.97 113.70 100.20 1u6f s SER 121 Ca -0.03 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1u6f s SER 121 Cb 0.14 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1u6f s SER 121 CO 0.75 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1u6f n GLY 122 N -0.38 0.49 2.02 3.44 0.00 -1.26 -5.15 105.19 104.35 1u6f n GLY 122 Ca -0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.94 -1.92 1.61 8.25 -1.26 -5.02 115.22 112.94 1u6f n HIS 123 Ca 0.00 -0.64 -0.37 0.00 -0.26 0.00 0.00 57.72 56.46 1u6f n HIS 123 Cb 0.00 -0.53 0.04 0.00 1.12 0.00 0.00 29.99 30.63 1u6f n HIS 123 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u6f s GLN 124 N -4.47 2.93 0.03 -0.41 -0.21 -1.26 -5.04 119.66 111.23 1u6f s GLN 124 Ca 0.39 1.95 0.03 0.00 0.02 0.00 0.00 55.36 57.75 1u6f s GLN 124 Cb -0.01 -1.99 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 1u6f s GLN 124 CO 0.27 -1.27 -0.08 1.03 -2.12 0.00 0.00 175.29 173.12 1u6f s ARG 125 N -3.24 0.57 0.23 2.91 1.81 -1.26 -5.05 118.95 114.92 1u6f s ARG 125 Ca 0.77 -0.58 0.05 0.00 -1.72 0.00 0.00 55.73 54.26 1u6f s ARG 125 Cb -0.34 -0.46 0.22 0.00 -0.45 0.00 0.00 34.95 33.92 1u6f s ARG 125 CO 0.37 0.11 1.53 -1.00 -0.68 0.00 0.00 175.30 175.63 1u6f h PRO 126 N 5.07 0.19 0.00 3.54 0.13 -2.08 -3.49 132.00 135.36 1u6f h PRO 126 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1u6f h PRO 126 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1u6f h PRO 126 CO 0.44 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 179.40 1u6f n GLY 127 N 0.37 -0.55 2.88 1.56 0.00 -1.26 -4.93 105.19 103.27 1u6f n GLY 127 Ca -0.02 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 1u6f n GLY 127 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u6f s ILE 128 N 0.00 -0.01 0.07 -0.61 -0.00 -1.26 -5.15 121.20 114.24 1u6f s ILE 128 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 60.65 60.46 1u6f s ILE 128 Cb 0.00 -0.05 -0.06 0.00 -0.00 0.00 0.00 42.46 42.35 1u6f s ILE 128 CO 0.00 0.01 0.64 0.00 -0.00 0.00 0.00 174.94 175.59 1u6f s ALA 129 N 0.16 3.51 0.00 2.27 0.00 -1.26 -4.88 121.76 121.56 1u6f s ALA 129 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1u6f s ALA 129 Cb -0.02 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1u6f s ALA 129 CO -0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1u6f n GLY 130 N 1.95 0.42 3.26 0.00 0.00 -1.26 -5.04 105.19 104.52 1u6f n GLY 130 Ca -0.08 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.20 -2.47 -3.90 4.61 0.00 -1.26 -4.99 120.51 112.29 1u6f n ALA 131 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1u6f n ALA 131 Cb 0.00 -5.67 -0.14 0.00 0.00 0.00 0.00 19.45 13.65 1u6f n ALA 131 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u6f s VAL 132 N -3.39 2.73 -0.05 0.00 1.01 -1.26 -4.70 120.40 114.74 1u6f s VAL 132 Ca 0.44 -2.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 1u6f s VAL 132 Cb -0.06 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1u6f s VAL 132 CO 0.74 -0.56 0.04 0.61 0.00 0.00 0.00 175.10 175.93 1u6f n GLY 133 N 4.43 0.50 3.69 4.51 0.00 -1.26 -4.98 105.19 112.08 1u6f n GLY 133 Ca -0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1u6f n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u6f s ASP 134 N -3.04 6.41 0.00 1.61 1.11 -1.26 -4.76 116.67 116.73 1u6f s ASP 134 Ca 0.00 2.78 0.00 0.00 0.18 0.00 0.00 52.55 55.52 1u6f s ASP 134 Cb -0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 1u6f s ASP 134 CO 0.03 -1.01 0.00 0.61 1.18 0.00 0.00 175.17 175.98 1u6f n GLY 135 N 4.22 0.00 0.10 0.21 0.00 -1.26 -5.03 105.19 103.43 1u6f n GLY 135 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1u6f n GLY 135 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1u6f h ASN 136 N 0.00 0.08 0.00 1.61 2.35 -2.00 -3.46 115.58 114.16 1u6f h ASN 136 Ca 0.00 -0.69 -0.05 0.00 -0.55 0.00 0.00 56.30 55.00 1u6f h ASN 136 Cb 0.00 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1u6f h ASN 136 CO 0.00 1.42 -0.09 0.61 -1.65 0.00 0.00 177.43 177.72 1u6f n GLY 137 N 1.55 -0.02 0.11 2.83 0.00 -1.26 -5.02 105.19 103.37 1u6f n GLY 137 Ca -0.26 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1u6f n GLY 137 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u6f h TYR 138 N 0.31 -0.16 -0.01 1.61 3.20 -1.96 -3.56 116.97 116.39 1u6f h TYR 138 Ca -0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1u6f h TYR 138 Cb 1.09 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1u6f h TYR 138 CO -0.18 0.02 0.00 1.47 -1.64 0.00 0.00 178.16 177.83