#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 2.93 -0.19 7.83 1.04 -1.26 -5.05 113.70 119.01 1u6f s SER 2 Ca 0.00 0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.92 1u6f s SER 2 Cb 0.00 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1u6f s SER 2 CO 0.00 -2.87 0.05 -1.58 0.98 0.00 0.00 173.24 169.82 1u6f s GLN 3 N -5.62 3.86 0.56 4.02 -0.44 -1.26 -5.08 119.66 115.70 1u6f s GLN 3 Ca 0.70 -0.40 -0.21 0.00 -2.50 0.00 0.00 55.36 52.94 1u6f s GLN 3 Cb -0.08 -3.18 -0.05 0.00 -1.64 0.00 0.00 33.01 28.06 1u6f s GLN 3 CO 0.53 0.19 1.32 0.44 0.50 0.00 0.00 175.29 178.26 1u6f n ILE 4 N 3.78 3.91 -1.09 -2.34 -5.35 -1.26 -4.87 119.36 112.13 1u6f n ILE 4 Ca -0.17 -0.50 -0.15 0.00 -0.27 0.00 0.00 62.75 61.66 1u6f n ILE 4 Cb 0.52 -1.60 -0.11 0.00 -1.74 0.00 0.00 39.64 36.71 1u6f n ILE 4 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1u6f n PRO 5 N -1.07 2.02 0.00 6.28 -0.04 -1.26 -4.86 135.00 136.06 1u6f n PRO 5 Ca 0.11 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1u6f n PRO 5 Cb 0.45 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 1.86 0.00 0.00 1.53 4.77 -1.26 -4.78 117.00 119.12 1u6f n LEU 6 Ca 0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1u6f n LEU 6 Cb 0.76 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1u6f n LEU 6 CO 0.18 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.76 1u6f n VAL 7 N 0.00 0.00 0.00 4.08 0.31 -1.26 -4.12 118.33 117.34 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 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 2.62 0.00 -2.47 4.52 2.88 -1.26 -5.17 113.62 114.74 1u6f n SER 8 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1u6f n SER 8 Cb 0.00 0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 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 -1.77 0.36 -1.23 -1.46 6.02 -1.26 -5.05 117.38 113.00 1u6f n GLN 9 Ca 0.00 -1.99 -0.25 0.00 -0.01 0.00 0.00 57.00 54.75 1u6f n GLN 9 Cb 0.00 1.49 0.17 0.00 1.02 0.00 0.00 30.24 32.92 1u6f n GLN 9 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1u6f n TYR 10 N -0.42 3.01 -4.43 1.08 9.36 -1.26 -4.94 117.16 119.56 1u6f n TYR 10 Ca 0.03 -2.01 -0.26 0.00 3.32 0.00 0.00 57.90 58.98 1u6f n TYR 10 Cb 0.36 -1.00 -0.13 0.00 -0.63 0.00 0.00 39.34 37.94 1u6f n TYR 10 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1u6f s ASP 11 N -1.45 2.73 0.82 2.98 2.15 -1.26 -5.15 116.67 117.48 1u6f s ASP 11 Ca 0.58 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.90 1u6f s ASP 11 Cb 0.48 -0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1u6f s ASP 11 CO 0.09 0.12 0.00 -0.81 -0.17 0.00 0.00 175.17 174.40 1u6f n PRO 12 N 1.28 -0.59 -4.27 4.34 -0.04 -1.26 -5.09 135.00 129.36 1u6f n PRO 12 Ca -0.18 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 1u6f n PRO 12 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1u6f n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u6f n TYR 13 N -2.11 -0.34 0.00 0.54 4.01 -1.26 -5.01 117.16 112.99 1u6f n TYR 13 Ca 0.00 -2.67 0.00 0.00 -0.16 0.00 0.00 57.90 55.07 1u6f n TYR 13 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1u6f n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u6f n GLY 14 N -0.70 2.07 3.53 2.72 0.00 -1.26 -5.06 105.19 106.50 1u6f n GLY 14 Ca 0.01 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 3.38 -0.43 1.61 1.11 -1.26 -4.94 119.66 119.14 1u6f s GLN 15 Ca 0.00 -0.16 0.06 0.00 0.01 0.00 0.00 55.36 55.26 1u6f s GLN 15 Cb 0.00 -4.00 0.17 0.00 -1.01 0.00 0.00 33.01 28.17 1u6f s GLN 15 CO 0.00 -1.34 0.53 0.95 0.01 0.00 0.00 175.29 175.44 1u6f s THR 16 N 3.72 -0.57 -0.02 -0.19 -4.23 -1.26 -5.14 115.64 107.96 1u6f s THR 16 Ca 0.31 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1u6f s THR 16 Cb -0.12 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 1u6f s THR 16 CO 0.21 -0.39 -0.10 0.00 -0.54 0.00 0.00 174.62 173.81 1u6f s ALA 17 N 1.15 0.87 -0.13 3.99 0.00 -1.26 -5.00 121.76 121.39 1u6f s ALA 17 Ca 0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1u6f s ALA 17 Cb -0.06 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1u6f s ALA 17 CO -0.07 0.17 0.18 0.94 0.00 0.00 0.00 175.76 176.99 1u6f n GLN 18 N 3.07 -4.81 0.01 0.00 7.27 -1.26 -5.03 117.38 116.62 1u6f n GLN 18 Ca -0.16 3.58 0.00 0.00 0.07 0.00 0.00 57.00 60.49 1u6f n GLN 18 Cb 0.55 -4.99 0.00 0.00 2.41 0.00 0.00 30.24 28.21 1u6f n GLN 18 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1u6f n LEU 19 N 1.75 -0.11 0.00 1.69 4.77 -1.26 -5.17 117.00 118.67 1u6f n LEU 19 Ca -0.31 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1u6f n LEU 19 Cb 0.48 0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1u6f n LEU 19 CO 0.29 -0.49 0.17 0.00 -1.33 0.00 0.00 177.39 176.03 1u6f n GLN 20 N -2.55 0.47 0.00 3.23 6.02 -1.26 -5.09 117.38 118.19 1u6f n GLN 20 Ca 0.00 -1.32 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 1u6f n GLN 20 Cb 0.00 1.42 0.00 0.00 1.02 0.00 0.00 30.24 32.68 1u6f n GLN 20 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u6f n GLN 21 N -0.29 0.00 -0.13 -1.09 6.02 -1.26 -5.14 117.38 115.50 1u6f n GLN 21 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.81 1u6f n GLN 21 Cb 0.31 -0.06 0.16 0.00 1.02 0.00 0.00 30.24 31.66 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1u6f n LEU 22 N -2.13 0.00 -2.69 1.08 4.77 -1.26 -5.02 117.00 111.76 1u6f n LEU 22 Ca 0.00 -0.46 -0.03 0.00 -0.03 0.00 0.00 56.01 55.49 1u6f n LEU 22 Cb 0.00 -0.53 0.12 0.00 -2.33 0.00 0.00 43.42 40.68 1u6f n LEU 22 CO 0.00 -2.22 0.55 1.67 -1.33 0.00 0.00 177.39 176.06 1u6f n GLN 23 N -3.92 1.37 -2.53 3.23 -0.06 -1.26 -5.08 117.38 109.13 1u6f n GLN 23 Ca 0.07 -1.55 -0.05 0.00 -2.00 0.00 0.00 57.00 53.47 1u6f n GLN 23 Cb 0.32 0.15 -0.05 0.00 -4.06 0.00 0.00 30.24 26.60 1u6f n GLN 23 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1u6f n GLN 24 N -1.30 -4.45 -2.33 3.69 6.02 -1.26 -4.91 117.38 112.84 1u6f n GLN 24 Ca -0.13 3.36 -0.41 0.00 -0.01 0.00 0.00 57.00 59.81 1u6f n GLN 24 Cb 0.87 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 27.21 1u6f n GLN 24 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u6f s GLN 25 N -0.69 4.47 0.00 -1.09 2.00 -1.26 -4.72 119.66 118.38 1u6f s GLN 25 Ca -0.27 1.93 0.00 0.00 -2.00 0.00 0.00 55.36 55.02 1u6f s GLN 25 Cb 0.02 -3.21 0.00 0.00 0.80 0.00 0.00 33.01 30.61 1u6f s GLN 25 CO 0.73 -0.10 0.00 0.94 -0.50 0.00 0.00 175.29 176.36 1u6f n GLN 26 N 2.30 0.00 0.00 1.67 7.27 -1.26 -5.06 117.38 122.30 1u6f n GLN 26 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1u6f n GLN 26 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 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 -1.65 0.00 -2.64 3.69 -0.06 -1.26 -4.68 117.38 110.78 1u6f n GLN 27 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 1u6f n GLN 27 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 1u6f n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1u6f n GLN 28 N 0.00 0.35 -3.83 3.69 0.00 -1.26 -5.16 117.38 111.17 1u6f n GLN 28 Ca 0.00 -1.27 -0.25 0.00 0.00 0.00 0.00 57.00 55.48 1u6f n GLN 28 Cb 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 30.24 31.32 1u6f n GLN 28 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1u6f s HIS 29 N -4.27 1.12 -0.52 2.61 3.76 -1.26 -5.10 115.29 111.63 1u6f s HIS 29 Ca 0.13 -0.53 -0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1u6f s HIS 29 Cb -0.01 -1.04 0.14 0.00 1.11 0.00 0.00 32.58 32.78 1u6f s HIS 29 CO 0.09 -0.45 0.36 0.96 -0.85 0.00 0.00 174.74 174.85 1u6f s ILE 30 N 1.83 3.85 0.20 0.60 -4.36 -1.26 -4.98 121.20 117.08 1u6f s ILE 30 Ca 0.04 -2.27 -0.12 0.00 -0.26 0.00 0.00 60.65 58.04 1u6f s ILE 30 Cb -0.13 -3.55 0.15 0.00 1.25 0.00 0.00 42.46 40.18 1u6f s ILE 30 CO -0.07 -0.80 1.69 -0.65 0.24 0.00 0.00 174.94 175.35 1u6f h PRO 31 N 7.85 0.16 0.00 0.37 0.11 -2.00 0.40 132.00 138.90 1u6f h PRO 31 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1u6f h PRO 31 Cb 1.03 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1u6f h PRO 31 CO 0.76 0.11 0.00 -0.35 -0.21 0.00 0.00 178.00 178.30 1u6f n PRO 32 N -5.20 0.13 0.00 1.05 -0.04 -1.26 -4.99 135.00 124.69 1u6f n PRO 32 Ca 0.07 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1u6f n PRO 32 Cb 0.29 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.39 0.00 -4.45 0.52 -1.04 0.13 -5.00 114.28 103.04 1u6f n THR 33 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1u6f n THR 33 Cb 0.17 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1u6f n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f n GLN 34 N -0.66 0.00 -3.27 -2.82 6.02 -1.26 -4.96 117.38 110.43 1u6f n GLN 34 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1u6f n GLN 34 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1u6f n GLN 34 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1u6f n MET 35 N -0.58 -5.69 -3.93 -1.09 1.56 -1.26 -5.03 117.12 101.11 1u6f n MET 35 Ca 0.00 0.60 -0.21 0.00 -0.27 0.00 0.00 57.70 57.82 1u6f n MET 35 Cb 0.00 -4.94 -0.03 0.00 2.15 0.00 0.00 33.22 30.40 1u6f n MET 35 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1u6f s ASN 36 N -3.29 5.78 -0.79 6.12 0.02 -1.26 -4.96 114.94 116.55 1u6f s ASN 36 Ca 0.39 -0.19 -0.24 0.00 -1.02 0.00 0.00 52.86 51.80 1u6f s ASN 36 Cb -0.17 -1.44 -0.18 0.00 0.02 0.00 0.00 41.25 39.48 1u6f s ASN 36 CO 0.53 -0.16 1.89 -0.81 0.02 0.00 0.00 177.10 178.57 1u6f n PRO 37 N -1.34 1.23 -2.57 -0.60 -0.04 -1.26 -4.89 135.00 125.52 1u6f n PRO 37 Ca -0.06 -1.89 -0.31 0.00 -0.04 0.00 0.00 63.50 61.19 1u6f n PRO 37 Cb 0.58 -3.15 -0.03 0.00 -0.04 0.00 0.00 33.50 30.86 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 5.92 3.89 0.35 0.54 0.41 -1.26 -4.98 118.70 123.57 1u6f s GLU 38 Ca 0.64 0.78 0.16 0.00 -0.41 0.00 0.00 54.97 56.14 1u6f s GLU 38 Cb 0.09 -2.23 0.63 0.00 -1.78 0.00 0.00 34.13 30.84 1u6f s GLU 38 CO 0.16 -0.18 1.72 -1.00 -0.49 0.00 0.00 175.26 175.48 1u6f h PRO 39 N 1.06 0.00 -0.18 0.39 0.13 -2.00 -3.06 132.00 128.34 1u6f h PRO 39 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1u6f h PRO 39 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1u6f h PRO 39 CO 0.62 0.42 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.94 1u6f h ASP 40 N 0.00 0.46 -0.85 1.44 3.32 -1.98 -2.93 116.42 115.88 1u6f h ASP 40 Ca -0.00 -0.21 -0.41 0.00 0.02 0.00 0.00 57.03 56.42 1u6f h ASP 40 Cb 0.90 -0.13 -0.25 0.00 0.22 0.00 0.00 39.33 40.08 1u6f h ASP 40 CO 0.06 0.85 0.52 1.33 -1.72 0.00 0.00 179.24 180.28 1u6f n VAL 41 N -4.00 2.92 -0.13 -1.35 0.24 -1.16 -4.35 118.33 110.50 1u6f n VAL 41 Ca -0.02 -1.67 -0.25 0.00 -2.04 0.00 0.00 64.34 60.36 1u6f n VAL 41 Cb 0.53 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.80 1.94 -0.04 1.34 4.77 -1.11 -4.17 117.00 118.93 1u6f n LEU 42 Ca 0.50 0.36 0.24 0.00 -0.03 0.00 0.00 56.01 57.09 1u6f n LEU 42 Cb 1.51 -0.83 0.70 0.00 -2.33 0.00 0.00 43.42 42.47 1u6f n LEU 42 CO 0.52 0.38 1.22 0.08 -1.33 0.00 0.00 177.39 178.25 1u6f h ARG 43 N -1.00 0.00 -6.38 3.23 0.11 -1.76 -3.37 114.38 105.21 1u6f h ARG 43 Ca -0.53 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.00 1u6f h ARG 43 Cb 1.45 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.47 1u6f h ARG 43 CO -0.32 0.00 1.13 1.21 0.10 0.00 0.00 179.97 182.09 1u6f s ASN 44 N -5.10 6.07 -0.22 0.08 3.04 -1.26 -1.19 114.94 116.36 1u6f s ASN 44 Ca -0.04 0.47 -0.04 0.00 0.04 0.00 0.00 52.86 53.29 1u6f s ASN 44 Cb 0.17 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.33 1u6f s ASN 44 CO 0.60 -1.72 -0.02 -0.76 -3.04 0.00 0.00 177.10 172.16 1u6f s LEU 45 N 6.28 3.01 -0.42 3.21 1.43 -0.76 -1.22 118.68 130.21 1u6f s LEU 45 Ca 0.58 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 53.13 1u6f s LEU 45 Cb -0.12 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1u6f s LEU 45 CO 0.27 -0.00 0.66 -0.32 0.23 0.00 0.00 176.35 177.19 1u6f s MET 46 N 1.38 3.38 -0.17 1.70 1.75 0.28 0.72 119.30 128.34 1u6f s MET 46 Ca 0.05 -0.25 -0.07 0.00 -1.25 0.00 0.00 55.69 54.16 1u6f s MET 46 Cb -0.14 -3.92 -0.04 0.00 2.84 0.00 0.00 34.83 33.56 1u6f s MET 46 CO -0.01 -0.97 0.07 0.14 -0.65 0.00 0.00 175.02 173.60 1u6f s VAL 47 N 2.87 4.90 -0.03 10.11 -7.23 0.33 -0.25 120.40 131.10 1u6f s VAL 47 Ca 0.24 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 1u6f s VAL 47 Cb -0.14 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.61 1u6f s VAL 47 CO 0.19 0.48 -0.09 0.21 -0.31 0.00 0.00 175.10 175.57 1u6f s ASN 48 N 0.18 1.29 0.18 4.85 3.04 0.21 0.11 114.94 124.80 1u6f s ASN 48 Ca 0.05 -0.20 0.00 0.00 0.04 0.00 0.00 52.86 52.75 1u6f s ASN 48 Cb -0.12 -0.39 0.00 0.00 -1.54 0.00 0.00 41.25 39.20 1u6f s ASN 48 CO 0.00 0.06 0.00 0.00 -3.04 0.00 0.00 177.10 174.12 1u6f n TYR 49 N 3.38 -3.01 -4.01 0.43 4.19 -1.26 0.11 117.16 117.00 1u6f n TYR 49 Ca -0.19 0.61 -0.30 0.00 3.31 0.00 0.00 57.90 61.33 1u6f n TYR 49 Cb 0.54 1.76 -0.05 0.00 0.49 0.00 0.00 39.34 42.07 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1u6f s ILE 50 N -2.00 4.84 0.00 2.97 1.01 -1.26 -4.78 121.20 121.99 1u6f s ILE 50 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1u6f s ILE 50 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1u6f s ILE 50 CO 0.00 0.08 0.00 -0.81 0.00 0.00 0.00 174.94 174.21 1u6f n PRO 51 N 0.23 0.00 0.05 2.79 -0.04 -1.26 -4.07 135.00 132.69 1u6f n PRO 51 Ca -0.07 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1u6f n PRO 51 Cb 0.52 -0.03 0.51 0.00 -0.04 0.00 0.00 33.50 34.46 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 -0.11 0.34 -0.62 0.52 -1.04 -1.26 -3.15 114.28 108.96 1u6f n THR 52 Ca 0.00 -0.07 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 1u6f n THR 52 Cb 0.00 -0.61 0.28 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.82 1.77 -2.01 12.58 -1.04 -1.26 -4.80 114.28 117.71 1u6f n THR 53 Ca 0.06 -1.35 -0.41 0.00 -2.04 0.00 0.00 64.05 60.31 1u6f n THR 53 Cb 0.35 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.93 3.43 -0.14 12.58 0.11 -1.19 -4.89 120.40 128.36 1u6f s VAL 54 Ca 0.41 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1u6f s VAL 54 Cb 0.28 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1u6f s VAL 54 CO 0.17 -0.60 -0.14 1.51 -3.33 0.00 0.00 175.10 172.71 1u6f s ASP 55 N 7.08 3.84 0.61 3.54 1.47 -1.26 -4.61 116.67 127.34 1u6f s ASP 55 Ca 0.75 -0.40 0.32 0.00 1.18 0.00 0.00 52.55 54.40 1u6f s ASP 55 Cb -0.18 -1.59 1.84 0.00 -0.34 0.00 0.00 42.92 42.66 1u6f s ASP 55 CO 0.28 0.12 2.17 1.05 0.68 0.00 0.00 175.17 179.47 1u6f h GLU 56 N 7.01 0.00 0.31 2.11 4.11 -1.93 -2.49 114.58 123.70 1u6f h GLU 56 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 1u6f h GLU 56 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1u6f h GLU 56 CO 0.56 0.00 -0.15 0.28 0.07 0.00 0.00 179.01 179.77 1u6f h VAL 57 N 0.00 0.54 -0.78 -1.06 2.07 -1.97 0.49 116.25 115.54 1u6f h VAL 57 Ca 0.04 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.94 1u6f h VAL 57 Cb 0.32 0.85 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1u6f h VAL 57 CO -0.00 0.12 0.34 -0.61 0.02 0.00 0.00 177.57 177.44 1u6f h GLN 58 N -0.92 0.48 0.00 1.57 -0.00 -1.86 0.32 115.11 114.69 1u6f h GLN 58 Ca -0.04 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.52 1u6f h GLN 58 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 1u6f h GLN 58 CO 0.07 0.32 -0.30 -0.07 0.00 0.00 0.00 178.83 178.85 1u6f h LEU 59 N 0.49 0.00 0.44 -2.39 3.38 -1.53 -2.63 115.31 113.07 1u6f h LEU 59 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1u6f h LEU 59 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1u6f h LEU 59 CO -0.39 0.30 -0.21 -0.09 0.09 0.00 0.00 178.44 178.13 1u6f h ARG 60 N 0.00 -0.57 -0.42 1.13 2.43 0.38 1.25 114.38 118.59 1u6f h ARG 60 Ca -0.00 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1u6f h ARG 60 Cb 1.13 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1u6f h ARG 60 CO 0.04 -0.31 -0.04 1.96 -1.51 0.00 0.00 179.97 180.11 1u6f h GLN 61 N -0.72 0.76 -0.39 0.20 4.20 -1.27 0.91 115.11 118.79 1u6f h GLN 61 Ca -0.06 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 1u6f h GLN 61 Cb 0.52 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1u6f h GLN 61 CO 0.10 0.86 -0.14 1.25 -0.67 0.00 0.00 178.83 180.23 1u6f h LEU 62 N 0.59 0.80 0.05 1.46 5.85 -1.41 -2.27 115.31 120.37 1u6f h LEU 62 Ca 0.11 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.29 1u6f h LEU 62 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1u6f h LEU 62 CO 0.03 1.00 -0.84 -0.26 -0.34 0.00 0.00 178.44 178.03 1u6f h PHE 63 N 0.59 0.21 -0.36 1.25 -1.00 0.16 -3.33 116.94 114.47 1u6f h PHE 63 Ca 0.09 -0.15 0.10 0.00 2.81 0.00 0.00 57.97 60.82 1u6f h PHE 63 Cb 0.68 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1u6f h PHE 63 CO 0.05 1.33 0.26 1.05 -1.61 0.00 0.00 178.31 179.39 1u6f h GLU 64 N -0.70 0.00 -0.91 1.51 4.11 0.79 0.11 114.58 119.48 1u6f h GLU 64 Ca -0.19 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.33 1u6f h GLU 64 Cb 1.39 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 1u6f h GLU 64 CO -0.01 0.00 0.56 -0.09 0.07 0.00 0.00 179.01 179.53 1u6f h ARG 65 N 0.00 0.91 0.00 1.06 9.65 -1.51 0.62 114.38 125.11 1u6f h ARG 65 Ca 0.17 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1u6f h ARG 65 Cb 0.69 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1u6f h ARG 65 CO -0.00 0.60 -0.32 1.88 2.80 0.00 0.00 179.97 184.93 1u6f h TYR 66 N 0.94 0.00 -0.47 2.20 -1.99 -1.15 -3.44 116.97 113.06 1u6f h TYR 66 Ca 0.43 0.00 0.16 0.00 2.00 0.00 0.00 58.73 61.32 1u6f h TYR 66 Cb 0.34 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 38.88 1u6f h TYR 66 CO -0.03 0.00 -0.12 0.20 -0.00 0.00 0.00 178.16 178.21 1u6f s GLY 67 N -3.80 -1.04 -0.34 3.88 0.00 0.07 -4.53 107.32 101.56 1u6f s GLY 67 Ca 0.07 1.78 -0.43 0.00 0.00 0.00 0.00 44.72 46.14 1u6f s GLY 67 CO 0.67 3.99 1.60 -1.05 0.00 0.00 0.00 173.10 178.31 1u6f n PRO 68 N 5.18 0.53 -2.78 2.90 -0.02 -0.40 -4.09 135.00 136.32 1u6f n PRO 68 Ca 0.08 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 1u6f n PRO 68 Cb 0.57 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 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 2.85 4.23 -0.19 4.25 -4.36 -1.26 -2.04 121.20 124.68 1u6f s ILE 69 Ca 1.00 1.76 -0.08 0.00 -0.26 0.00 0.00 60.65 63.08 1u6f s ILE 69 Cb -1.28 -3.93 -0.09 0.00 1.25 0.00 0.00 42.46 38.41 1u6f s ILE 69 CO 0.72 0.06 -0.23 1.21 0.24 0.00 0.00 174.94 176.94 1u6f n GLU 70 N 0.34 0.40 -3.64 0.37 2.13 -0.14 -4.74 120.64 115.36 1u6f n GLU 70 Ca 0.03 0.16 -0.28 0.00 0.66 0.00 0.00 57.16 57.73 1u6f n GLU 70 Cb 0.51 -1.19 -0.16 0.00 0.27 0.00 0.00 31.44 30.86 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1u6f s SER 71 N -6.51 2.98 0.20 4.31 1.04 -1.05 -5.04 113.70 109.64 1u6f s SER 71 Ca -0.26 -0.95 0.09 0.00 0.48 0.00 0.00 55.95 55.31 1u6f s SER 71 Cb 0.09 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1u6f s SER 71 CO 0.34 -0.37 -0.05 0.68 0.98 0.00 0.00 173.24 174.83 1u6f s VAL 72 N 1.99 3.40 0.18 5.02 -7.23 -1.26 -1.57 120.40 120.93 1u6f s VAL 72 Ca 0.04 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.35 1u6f s VAL 72 Cb -0.16 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.08 1u6f s VAL 72 CO -0.17 -0.19 0.52 -0.75 -0.31 0.00 0.00 175.10 174.20 1u6f s LYS 73 N -3.11 1.31 -0.09 4.82 2.20 0.28 -4.96 119.74 120.19 1u6f s LYS 73 Ca 0.27 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1u6f s LYS 73 Cb -0.08 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1u6f s LYS 73 CO 0.17 -0.55 -0.21 -1.50 -0.36 0.00 0.00 175.35 172.90 1u6f s ILE 74 N -3.84 1.86 -0.78 5.43 -1.16 -1.26 0.21 121.20 121.66 1u6f s ILE 74 Ca 0.06 -0.90 -0.25 0.00 -0.51 0.00 0.00 60.65 59.05 1u6f s ILE 74 Cb -0.01 -1.62 0.04 0.00 0.61 0.00 0.00 42.46 41.48 1u6f s ILE 74 CO -0.06 0.52 1.26 -0.69 -2.81 0.00 0.00 174.94 173.16 1u6f s VAL 75 N 0.44 3.86 0.90 4.00 1.01 0.45 -4.87 120.40 126.18 1u6f s VAL 75 Ca -0.17 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1u6f s VAL 75 Cb -0.17 -4.91 0.13 0.00 0.00 0.00 0.00 36.38 31.43 1u6f s VAL 75 CO 0.07 -1.81 1.10 0.00 0.00 0.00 0.00 175.10 174.47 1u6f s ASP 77 N -3.68 7.26 0.00 0.00 1.11 0.60 -4.75 116.67 117.20 1u6f s ASP 77 Ca 0.63 1.52 0.19 0.00 0.18 0.00 0.00 52.55 55.07 1u6f s ASP 77 Cb -0.16 -2.52 0.84 0.00 1.07 0.00 0.00 42.92 42.15 1u6f s ASP 77 CO 0.56 -0.17 1.62 -2.11 1.18 0.00 0.00 175.17 176.24 1u6f n ARG 78 N 3.64 0.02 -0.03 8.23 1.85 -1.26 0.11 116.66 129.22 1u6f n ARG 78 Ca 0.03 0.16 -0.13 0.00 -1.00 0.00 0.00 57.85 56.91 1u6f n ARG 78 Cb 0.51 -1.50 -0.11 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 -0.03 -0.05 2.89 3.07 -1.96 -3.37 114.58 115.12 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 0.32 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1u6f h GLU 79 CO 0.00 0.65 0.00 0.25 -1.40 0.00 0.00 179.01 178.51 1u6f n THR 80 N -4.76 0.45 -2.32 1.13 -2.24 -1.22 -4.98 114.28 100.35 1u6f n THR 80 Ca -0.09 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 60.81 1u6f n THR 80 Cb 0.34 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.03 -1.93 -3.94 -0.78 5.12 0.30 -4.95 116.66 110.51 1u6f n ARG 81 Ca 0.03 0.79 -0.26 0.00 -1.93 0.00 0.00 57.85 56.48 1u6f n ARG 81 Cb 0.19 -5.38 -0.02 0.00 -1.16 0.00 0.00 32.46 26.09 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 -4.85 2.27 -0.18 5.56 -1.52 -1.19 -4.81 119.66 114.94 1u6f s GLN 82 Ca 0.00 -1.99 -0.29 0.00 -1.95 0.00 0.00 55.36 51.13 1u6f s GLN 82 Cb 0.00 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 1u6f s GLN 82 CO 0.00 -0.53 1.88 -1.12 -0.25 0.00 0.00 175.29 175.28 1u6f s SER 83 N -4.21 6.06 0.00 5.90 0.01 -1.26 -0.29 113.70 119.91 1u6f s SER 83 Ca 0.34 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.46 1u6f s SER 83 Cb -0.02 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1u6f s SER 83 CO 0.21 -1.48 0.00 -1.14 0.41 0.00 0.00 173.24 171.24 1u6f n ARG 84 N 8.05 0.00 0.00 12.44 0.63 -1.26 -4.52 116.66 132.01 1u6f n ARG 84 Ca 0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1u6f n ARG 84 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 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 0.25 3.81 5.14 0.00 -1.25 -4.16 105.19 108.98 1u6f n GLY 85 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.01 0.46 1.61 -0.85 -1.06 -4.75 117.35 112.76 1u6f s TYR 86 Ca 0.00 -0.25 0.06 0.00 -0.52 0.00 0.00 57.07 56.37 1u6f s TYR 86 Cb 0.00 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.95 1u6f s TYR 86 CO 0.00 -0.62 0.31 0.20 -1.52 0.00 0.00 175.55 173.92 1u6f s GLY 87 N -3.29 2.33 -0.04 5.49 0.00 0.31 0.17 107.32 112.29 1u6f s GLY 87 Ca 0.20 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1u6f s GLY 87 CO 0.01 -1.88 -0.00 -0.12 0.00 0.00 0.00 173.10 171.11 1u6f s PHE 88 N -2.64 0.40 -0.22 1.90 2.19 0.57 0.12 117.98 120.31 1u6f s PHE 88 Ca 0.39 -0.03 -0.01 0.00 0.33 0.00 0.00 56.93 57.61 1u6f s PHE 88 Cb -0.00 -0.48 0.06 0.00 -1.31 0.00 0.00 43.02 41.29 1u6f s PHE 88 CO 0.23 -0.16 -0.01 0.14 1.83 0.00 0.00 175.22 177.25 1u6f s VAL 89 N 1.13 1.09 -0.37 3.12 -7.23 0.22 0.10 120.40 118.46 1u6f s VAL 89 Ca -0.08 -0.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 1u6f s VAL 89 Cb -0.13 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.35 1u6f s VAL 89 CO -0.02 -0.15 0.66 -0.75 -0.31 0.00 0.00 175.10 174.53 1u6f s LYS 90 N 1.60 3.65 0.64 4.82 2.20 -0.61 -1.83 119.74 130.20 1u6f s LYS 90 Ca -0.04 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.50 1u6f s LYS 90 Cb -0.18 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1u6f s LYS 90 CO -0.07 -0.79 1.04 -0.06 -0.36 0.00 0.00 175.35 175.11 1u6f s PHE 91 N 2.80 3.29 0.60 4.03 0.40 -0.33 -0.97 117.98 127.80 1u6f s PHE 91 Ca 0.25 1.40 0.29 0.00 -0.60 0.00 0.00 56.93 58.27 1u6f s PHE 91 Cb -0.14 -2.84 1.45 0.00 0.51 0.00 0.00 43.02 42.00 1u6f s PHE 91 CO 0.16 -0.95 1.86 1.96 0.70 0.00 0.00 175.22 178.94 1u6f h GLN 92 N -0.26 0.00 -2.47 0.44 4.20 -1.70 -3.42 115.11 111.90 1u6f h GLN 92 Ca -0.45 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 1u6f h GLN 92 Cb 1.20 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.83 1u6f h GLN 92 CO 0.59 0.00 0.20 -1.12 -0.67 0.00 0.00 178.83 177.83 1u6f s SER 93 N -5.03 -0.62 0.52 1.46 0.01 -1.26 -5.00 113.70 103.78 1u6f s SER 93 Ca -0.04 0.38 0.22 0.00 1.31 0.00 0.00 55.95 57.82 1u6f s SER 93 Cb 0.15 0.57 1.33 0.00 0.21 0.00 0.00 66.02 68.28 1u6f s SER 93 CO 0.52 -0.78 2.05 1.23 0.41 0.00 0.00 173.24 176.67 1u6f h GLY 94 N 2.53 0.03 1.65 3.44 0.00 -1.83 0.80 103.07 109.68 1u6f h GLY 94 Ca -0.30 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1u6f h GLY 94 CO 0.39 0.01 0.13 1.48 0.00 0.00 0.00 176.54 178.55 1u6f h SER 95 N 0.02 0.00 0.91 0.19 4.64 -1.95 0.53 113.55 117.89 1u6f h SER 95 Ca 0.17 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 1u6f h SER 95 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1u6f h SER 95 CO -0.01 0.00 -1.10 0.28 -0.87 0.00 0.00 176.83 175.14 1u6f h SER 96 N 0.00 0.04 -0.12 4.97 0.02 -1.22 -3.33 113.55 113.90 1u6f h SER 96 Ca 0.07 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1u6f h SER 96 Cb 0.34 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1u6f h SER 96 CO -0.00 1.03 -0.03 0.00 -1.14 0.00 0.00 176.83 176.70 1u6f h ALA 97 N 0.96 0.08 -0.87 3.77 0.00 -0.83 0.72 119.26 123.10 1u6f h ALA 97 Ca -0.05 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1u6f h ALA 97 Cb 1.81 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 1u6f h ALA 97 CO 0.13 -0.48 0.57 -0.56 0.00 0.00 0.00 179.25 178.90 1u6f h GLN 98 N 0.00 0.52 -0.02 0.00 3.07 -1.62 0.60 115.11 117.66 1u6f h GLN 98 Ca 0.06 -0.03 -0.19 0.00 0.09 0.00 0.00 58.65 58.58 1u6f h GLN 98 Cb 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 1u6f h GLN 98 CO -0.12 0.34 -0.81 1.96 0.09 0.00 0.00 178.83 180.29 1u6f h GLN 99 N 0.54 0.25 0.29 0.06 1.08 -1.42 -1.52 115.11 114.40 1u6f h GLN 99 Ca 0.44 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1u6f h GLN 99 Cb 0.90 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1u6f h GLN 99 CO -0.18 0.93 -0.14 0.00 -0.95 0.00 0.00 178.83 178.49 1u6f h ALA 100 N 0.99 -0.39 -0.03 3.87 0.00 0.18 -2.14 119.26 121.73 1u6f h ALA 100 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u6f h ALA 100 Cb 1.41 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1u6f h ALA 100 CO 0.13 -0.46 0.03 0.82 0.00 0.00 0.00 179.25 179.77 1u6f h ILE 101 N -0.92 0.62 -0.07 0.00 2.04 -0.08 0.99 117.51 120.09 1u6f h ILE 101 Ca -0.04 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.66 1u6f h ILE 101 Cb 0.51 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1u6f h ILE 101 CO 0.07 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 177.63 1u6f h ALA 102 N 1.96 0.17 -0.24 1.87 0.00 -1.21 -2.65 119.26 119.16 1u6f h ALA 102 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1u6f h ALA 102 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u6f h ALA 102 CO -0.00 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1u6f n GLY 103 N 0.82 3.47 0.00 0.00 0.00 -0.81 -4.69 105.19 103.98 1u6f n GLY 103 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.17 0.55 -4.69 0.99 4.77 0.34 -4.86 117.00 113.93 1u6f n LEU 104 Ca 0.14 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.60 1u6f n LEU 104 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1u6f n LEU 104 CO 0.09 0.09 1.38 -3.20 -1.33 0.00 0.00 177.39 174.42 1u6f n ASN 105 N -1.57 2.89 -1.30 -1.43 5.15 -1.00 0.28 115.26 118.28 1u6f n ASN 105 Ca 0.00 1.03 -0.17 0.00 -0.60 0.00 0.00 54.58 54.84 1u6f n ASN 105 Cb 0.11 -1.27 -0.07 0.00 -0.53 0.00 0.00 39.78 38.02 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 4.17 1.61 3.51 8.20 0.00 0.29 -4.79 105.19 118.18 1u6f n GLY 106 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.30 0.42 -2.19 1.61 -0.00 0.14 -4.50 117.46 110.65 1u6f n PHE 107 Ca -0.17 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.45 56.95 1u6f n PHE 107 Cb 0.65 -1.28 -0.05 0.00 -0.00 0.00 0.00 39.48 38.80 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1u6f s ASN 108 N 3.97 5.47 0.60 -2.13 2.20 -1.26 -0.48 114.94 123.30 1u6f s ASN 108 Ca 1.14 -1.80 -0.09 0.00 -0.94 0.00 0.00 52.86 51.17 1u6f s ASN 108 Cb -0.56 -2.59 -0.03 0.00 -2.00 0.00 0.00 41.25 36.08 1u6f s ASN 108 CO 0.38 -2.61 0.97 -0.51 -2.94 0.00 0.00 177.10 172.39 1u6f s ILE 109 N 9.33 4.46 0.34 0.54 2.07 0.12 -4.95 121.20 133.10 1u6f s ILE 109 Ca 0.65 0.56 0.10 0.00 -1.41 0.00 0.00 60.65 60.54 1u6f s ILE 109 Cb 0.00 -3.76 0.33 0.00 0.13 0.00 0.00 42.46 39.15 1u6f s ILE 109 CO 0.11 -0.92 1.79 0.25 -1.91 0.00 0.00 174.94 174.26 1u6f h LEU 110 N -0.22 0.67 0.01 8.50 7.12 -2.04 -2.99 115.31 126.36 1u6f h LEU 110 Ca -0.45 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.64 1u6f h LEU 110 Cb 1.21 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1u6f h LEU 110 CO 0.62 0.23 -0.00 -1.13 -0.13 0.00 0.00 178.44 178.03 1u6f h ASN 111 N 0.65 -0.01 -1.47 1.25 -0.73 -1.98 -3.49 115.58 109.79 1u6f h ASN 111 Ca 0.56 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1u6f h ASN 111 Cb 1.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1u6f h ASN 111 CO -0.33 0.70 0.00 0.29 -0.37 0.00 0.00 177.43 177.73 1u6f n LYS 112 N -4.71 0.00 -3.96 6.67 4.76 -1.13 -5.15 118.16 114.63 1u6f n LYS 112 Ca -0.04 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.10 1u6f n LYS 112 Cb 0.21 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.24 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u6f s ARG 113 N -1.41 1.83 -0.72 1.97 3.52 -1.26 0.13 118.95 123.01 1u6f s ARG 113 Ca 0.00 -0.73 -0.26 0.00 -0.13 0.00 0.00 55.73 54.61 1u6f s ARG 113 Cb 0.00 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1u6f s ARG 113 CO 0.00 -0.43 1.83 -0.51 -0.81 0.00 0.00 175.30 175.38 1u6f s LEU 114 N 1.48 3.25 -0.26 -0.88 1.43 0.36 -4.47 118.68 119.60 1u6f s LEU 114 Ca -0.01 -0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 1u6f s LEU 114 Cb -0.16 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1u6f s LEU 114 CO -0.08 -2.41 0.72 -0.75 0.23 0.00 0.00 176.35 174.05 1u6f s LYS 115 N 6.86 4.12 -0.12 1.70 2.20 0.12 0.11 119.74 134.72 1u6f s LYS 115 Ca 0.65 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.96 1u6f s LYS 115 Cb -0.10 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1u6f s LYS 115 CO 0.13 -0.48 -0.15 0.08 -0.36 0.00 0.00 175.35 174.57 1u6f s VAL 116 N 2.67 1.55 -0.04 4.02 1.01 -1.25 0.63 120.40 129.00 1u6f s VAL 116 Ca 0.30 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1u6f s VAL 116 Cb -0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1u6f s VAL 116 CO 0.08 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 1u6f s ALA 117 N 1.14 0.97 0.27 5.51 0.00 0.66 -4.69 121.76 125.62 1u6f s ALA 117 Ca -0.03 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1u6f s ALA 117 Cb -0.14 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.46 1u6f s ALA 117 CO -0.04 0.11 1.44 -0.51 0.00 0.00 0.00 175.76 176.76 1u6f s LEU 118 N 0.46 4.38 -0.77 0.00 2.01 -1.26 0.10 118.68 123.61 1u6f s LEU 118 Ca -0.08 2.72 -0.16 0.00 0.01 0.00 0.00 54.13 56.62 1u6f s LEU 118 Cb -0.12 -3.63 -0.12 0.00 0.01 0.00 0.00 46.19 42.33 1u6f s LEU 118 CO 0.01 -0.71 1.94 0.00 1.01 0.00 0.00 176.35 178.60 1u6f n ALA 119 N 2.03 3.64 -1.91 4.21 0.00 -0.35 -4.84 120.51 123.27 1u6f n ALA 119 Ca 0.06 -2.71 -0.42 0.00 0.00 0.00 0.00 53.44 50.37 1u6f n ALA 119 Cb 0.40 -3.37 -0.03 0.00 0.00 0.00 0.00 19.45 16.45 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 4.50 3.70 0.35 0.00 0.00 -1.26 -4.75 121.76 124.31 1u6f s ALA 120 Ca 0.49 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1u6f s ALA 120 Cb 0.12 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1u6f s ALA 120 CO 0.07 -1.07 0.00 0.43 0.00 0.00 0.00 175.76 175.18 1u6f n SER 121 N 5.41 -8.51 0.00 0.00 7.64 -1.26 -5.04 113.62 111.86 1u6f n SER 121 Ca 0.16 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1u6f n SER 121 Cb 0.40 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u6f n GLY 122 N -4.23 -1.57 2.75 0.23 0.00 -1.26 -5.12 105.19 95.99 1u6f n GLY 122 Ca 0.00 0.56 -0.24 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.66 -0.42 1.61 3.76 -1.26 -5.01 115.29 114.62 1u6f s HIS 123 Ca 0.00 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.68 1u6f s HIS 123 Cb 0.00 -0.81 0.57 0.00 1.11 0.00 0.00 32.58 33.44 1u6f s HIS 123 CO 0.00 -0.38 1.74 1.04 -0.85 0.00 0.00 174.74 176.29 1u6f n GLN 124 N 5.15 2.26 -4.41 1.40 6.02 -1.26 -4.97 117.38 121.57 1u6f n GLN 124 Ca -0.07 -3.19 -0.21 0.00 -0.01 0.00 0.00 57.00 53.52 1u6f n GLN 124 Cb 0.49 -2.08 -0.10 0.00 1.02 0.00 0.00 30.24 29.57 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1u6f s ARG 125 N -3.39 1.51 0.15 -1.09 1.81 -1.26 -5.06 118.95 111.62 1u6f s ARG 125 Ca 0.54 -1.70 -0.13 0.00 -1.72 0.00 0.00 55.73 52.71 1u6f s ARG 125 Cb 0.46 -1.38 0.03 0.00 -0.45 0.00 0.00 34.95 33.60 1u6f s ARG 125 CO 0.05 0.21 1.66 -1.00 -0.68 0.00 0.00 175.30 175.53 1u6f h PRO 126 N 2.38 0.79 0.00 3.54 0.13 -2.07 -3.48 132.00 133.29 1u6f h PRO 126 Ca -0.39 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1u6f h PRO 126 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1u6f h PRO 126 CO 0.63 0.76 0.00 0.41 -0.23 0.00 0.00 178.00 179.57 1u6f n GLY 127 N -0.62 2.72 5.00 1.56 0.00 -1.26 -4.98 105.19 107.61 1u6f n GLY 127 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 -1.75 -0.61 5.41 -1.26 -4.83 119.36 116.32 1u6f n ILE 128 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1u6f n ILE 128 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u6f n ALA 129 N 0.00 -2.17 0.00 -1.39 0.00 -1.26 -5.01 120.51 110.68 1u6f n ALA 129 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1u6f n ALA 129 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.06 0.20 3.84 0.00 0.00 -1.26 -5.12 105.19 103.91 1u6f n GLY 130 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f s ALA 131 N -1.00 4.08 0.02 4.61 0.00 -1.26 -5.15 121.76 123.05 1u6f s ALA 131 Ca 0.00 -1.62 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 1u6f s ALA 131 Cb 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.51 1u6f s ALA 131 CO 0.00 -0.29 0.48 0.54 0.00 0.00 0.00 175.76 176.48 1u6f s VAL 132 N -2.66 0.04 0.00 0.00 0.11 -1.26 -4.96 120.40 111.67 1u6f s VAL 132 Ca 0.38 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1u6f s VAL 132 Cb -0.00 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1u6f s VAL 132 CO 0.22 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 1u6f n GLY 133 N 0.69 1.73 3.01 6.54 0.00 -1.26 -4.84 105.19 111.05 1u6f n GLY 133 Ca -0.19 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1u6f n GLY 133 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u6f s ASP 134 N 0.00 0.95 -0.10 1.61 2.15 -1.26 -5.15 116.67 114.87 1u6f s ASP 134 Ca 0.00 -0.17 -0.32 0.00 0.43 0.00 0.00 52.55 52.49 1u6f s ASP 134 Cb 0.00 -0.10 0.12 0.00 -0.30 0.00 0.00 42.92 42.65 1u6f s ASP 134 CO 0.00 0.08 1.13 -0.83 -0.17 0.00 0.00 175.17 175.39 1u6f s GLY 135 N -0.27 -0.35 -0.17 2.66 0.00 -1.26 -4.95 107.32 102.99 1u6f s GLY 135 Ca 0.02 1.25 0.12 0.00 0.00 0.00 0.00 44.72 46.12 1u6f s GLY 135 CO -0.00 0.40 0.17 -2.01 0.00 0.00 0.00 173.10 171.65 1u6f n ASN 136 N -0.21 0.66 -3.83 1.64 2.85 -1.26 -4.67 115.26 110.44 1u6f n ASN 136 Ca -0.03 0.08 -0.41 0.00 -0.11 0.00 0.00 54.58 54.11 1u6f n ASN 136 Cb 0.60 0.41 -0.05 0.00 1.24 0.00 0.00 39.78 41.98 1u6f n ASN 136 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1u6f n GLY 137 N 1.81 2.49 0.12 8.20 0.00 -1.26 -4.71 105.19 111.84 1u6f n GLY 137 Ca -0.32 -1.21 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 8.00 -0.28 0.00 1.61 3.20 -2.04 -3.54 116.97 123.93 1u6f h TYR 138 Ca 0.40 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1u6f h TYR 138 Cb 0.72 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1u6f h TYR 138 CO 1.27 -0.17 0.00 1.28 -1.64 0.00 0.00 178.16 178.89