#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f h SER 2 N 0.00 0.00 0.00 7.83 4.64 -2.06 -3.49 113.55 120.47 1u6f h SER 2 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1u6f h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1u6f h SER 2 CO 0.00 1.14 0.00 1.67 -0.87 0.00 0.00 176.83 178.77 1u6f n GLN 3 N -4.53 0.00 -5.16 4.77 0.00 -1.26 -5.13 117.38 106.07 1u6f n GLN 3 Ca -0.20 0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 56.48 1u6f n GLN 3 Cb 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.56 1u6f n GLN 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 1u6f s ILE 4 N -1.97 2.27 -0.76 1.69 2.07 -1.26 -5.07 121.20 118.17 1u6f s ILE 4 Ca 0.00 -0.98 -0.26 0.00 -1.41 0.00 0.00 60.65 58.01 1u6f s ILE 4 Cb 0.00 -1.86 -0.02 0.00 0.13 0.00 0.00 42.46 40.71 1u6f s ILE 4 CO 0.00 0.56 1.84 -2.16 -1.91 0.00 0.00 174.94 173.27 1u6f s PRO 5 N -0.06 2.69 -1.07 3.50 0.04 -1.26 -4.80 135.00 134.03 1u6f s PRO 5 Ca -0.06 0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.90 1u6f s PRO 5 Cb -0.15 -4.71 0.14 0.00 0.04 0.00 0.00 34.50 29.82 1u6f s PRO 5 CO 0.05 -2.94 1.31 -0.51 0.04 0.00 0.00 177.00 174.95 1u6f s LEU 6 N 9.06 4.91 0.49 -3.56 1.43 -1.26 -4.88 118.68 124.87 1u6f s LEU 6 Ca 0.65 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.30 1u6f s LEU 6 Cb -0.09 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1u6f s LEU 6 CO 0.10 -0.95 0.00 0.52 0.23 0.00 0.00 176.35 176.24 1u6f n VAL 7 N 5.23 -2.95 -3.53 -1.59 0.31 -1.26 -5.09 118.33 109.45 1u6f n VAL 7 Ca 0.31 1.41 -0.06 0.00 -0.01 0.00 0.00 64.34 66.00 1u6f n VAL 7 Cb 0.46 -2.23 0.01 0.00 -0.91 0.00 0.00 33.84 31.18 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 -2.11 -1.26 0.00 4.52 3.41 -1.26 -4.99 113.62 111.92 1u6f n SER 8 Ca 0.00 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1u6f n SER 8 Cb 0.32 2.12 0.00 0.00 -0.26 0.00 0.00 64.21 66.39 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 -0.32 0.00 -1.39 4.33 6.02 -1.26 -4.86 117.38 119.90 1u6f n GLN 9 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1u6f n GLN 9 Cb 0.35 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.61 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 0.00 -3.83 -3.54 1.08 4.01 -1.26 -4.89 117.16 108.73 1u6f n TYR 10 Ca 0.00 2.05 -0.27 0.00 -0.16 0.00 0.00 57.90 59.52 1u6f n TYR 10 Cb 0.00 -3.22 -0.09 0.00 -0.31 0.00 0.00 39.34 35.72 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1u6f n ASP 11 N -1.50 2.52 -4.54 7.72 8.00 -1.26 -5.11 116.55 122.39 1u6f n ASP 11 Ca 0.00 -3.14 -0.37 0.00 0.71 0.00 0.00 54.79 51.99 1u6f n ASP 11 Cb 0.16 -0.68 0.05 0.00 -0.02 0.00 0.00 41.12 40.63 1u6f n ASP 11 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1u6f n PRO 12 N 1.52 0.61 -4.46 -0.24 -0.02 -1.26 -5.03 135.00 126.12 1u6f n PRO 12 Ca 0.25 0.25 -0.22 0.00 -2.02 0.00 0.00 63.50 61.76 1u6f n PRO 12 Cb 0.42 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 31.85 1u6f n PRO 12 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1u6f s TYR 13 N -1.68 2.02 0.00 6.00 -0.85 -1.26 -5.01 117.35 116.57 1u6f s TYR 13 Ca 0.72 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 56.39 1u6f s TYR 13 Cb -0.41 -1.31 0.00 0.00 0.38 0.00 0.00 41.96 40.63 1u6f s TYR 13 CO 0.51 0.10 0.00 0.41 -1.52 0.00 0.00 175.55 175.06 1u6f n GLY 14 N -0.70 -0.68 3.21 5.49 0.00 -1.26 -4.40 105.19 106.85 1u6f n GLY 14 Ca -0.03 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 3.46 -3.46 1.61 3.00 -1.26 -4.86 117.38 115.87 1u6f n GLN 15 Ca 0.00 -3.68 -0.23 0.00 -0.01 0.00 0.00 57.00 53.08 1u6f n GLN 15 Cb 0.00 -3.01 -0.12 0.00 0.00 0.00 0.00 30.24 27.11 1u6f n GLN 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1u6f s THR 16 N 1.18 -0.22 0.06 5.09 2.01 -1.26 -5.13 115.64 117.37 1u6f s THR 16 Ca 0.42 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 1u6f s THR 16 Cb 0.03 -0.97 0.09 0.00 0.01 0.00 0.00 72.50 71.65 1u6f s THR 16 CO 0.00 -0.62 0.74 0.00 -0.69 0.00 0.00 174.62 174.05 1u6f s ALA 17 N 2.11 -1.72 -0.36 7.40 0.00 -1.26 -4.88 121.76 123.05 1u6f s ALA 17 Ca 0.10 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 1u6f s ALA 17 Cb -0.15 0.56 0.01 0.00 0.00 0.00 0.00 23.12 23.53 1u6f s ALA 17 CO -0.31 -0.68 0.28 1.04 0.00 0.00 0.00 175.76 176.09 1u6f n GLN 18 N -0.17 -2.95 0.08 0.00 3.00 -1.26 -4.91 117.38 111.16 1u6f n GLN 18 Ca -0.14 2.46 -0.08 0.00 -0.01 0.00 0.00 57.00 59.24 1u6f n GLN 18 Cb 0.63 -5.48 -0.08 0.00 0.00 0.00 0.00 30.24 25.31 1u6f n GLN 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1u6f h LEU 19 N 2.53 0.09 -0.73 1.08 6.46 -2.03 -3.19 115.31 119.51 1u6f h LEU 19 Ca 0.00 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1u6f h LEU 19 Cb 0.47 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1u6f h LEU 19 CO 0.15 1.01 -0.21 1.67 -0.62 0.00 0.00 178.44 180.44 1u6f n GLN 20 N -3.47 1.15 0.00 1.25 -0.06 -1.26 -4.97 117.38 110.03 1u6f n GLN 20 Ca -0.02 -0.73 0.00 0.00 -2.00 0.00 0.00 57.00 54.25 1u6f n GLN 20 Cb 0.90 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.59 1u6f n GLN 20 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1u6f n GLN 21 N -0.28 0.00 -2.29 3.69 1.13 -1.21 -4.83 117.38 113.59 1u6f n GLN 21 Ca 0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1u6f n GLN 21 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.72 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1u6f n LEU 22 N 0.00 -6.51 -4.63 1.08 4.77 -1.26 -4.99 117.00 105.46 1u6f n LEU 22 Ca 0.00 2.89 -0.35 0.00 -0.03 0.00 0.00 56.01 58.52 1u6f n LEU 22 Cb 0.00 -3.21 -0.10 0.00 -2.33 0.00 0.00 43.42 37.78 1u6f n LEU 22 CO 0.00 -2.71 -0.31 -1.58 -1.33 0.00 0.00 177.39 171.46 1u6f s GLN 23 N -0.65 3.36 0.24 3.23 0.74 -1.26 -5.10 119.66 120.21 1u6f s GLN 23 Ca 0.00 -0.42 -0.11 0.00 0.05 0.00 0.00 55.36 54.88 1u6f s GLN 23 Cb 0.00 -2.91 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 1u6f s GLN 23 CO 0.00 0.50 0.41 -1.14 -0.55 0.00 0.00 175.29 174.51 1u6f s GLN 24 N -0.32 1.48 -0.43 1.67 0.74 -1.26 -5.09 119.66 116.44 1u6f s GLN 24 Ca 0.07 -1.32 -0.27 0.00 0.05 0.00 0.00 55.36 53.89 1u6f s GLN 24 Cb -0.12 0.43 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 1u6f s GLN 24 CO 0.02 -0.59 2.23 1.14 -0.55 0.00 0.00 175.29 177.54 1u6f s GLN 25 N -4.04 2.52 0.35 1.67 0.00 -1.26 -4.72 119.66 114.18 1u6f s GLN 25 Ca 0.25 1.43 0.00 0.00 -0.00 0.00 0.00 55.36 57.04 1u6f s GLN 25 Cb 0.01 -4.47 0.00 0.00 0.00 0.00 0.00 33.01 28.54 1u6f s GLN 25 CO 0.09 -2.81 0.00 1.04 0.00 0.00 0.00 175.29 173.62 1u6f n GLN 26 N 8.93 -2.96 -3.37 9.60 3.00 -1.26 -4.77 117.38 126.56 1u6f n GLN 26 Ca 0.31 1.96 -0.38 0.00 -0.01 0.00 0.00 57.00 58.89 1u6f n GLN 26 Cb 0.51 -3.60 -0.06 0.00 0.00 0.00 0.00 30.24 27.09 1u6f n GLN 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1u6f s GLN 27 N -2.29 4.14 -0.27 -1.09 0.74 -1.26 -5.07 119.66 114.56 1u6f s GLN 27 Ca 0.00 0.53 -0.06 0.00 0.05 0.00 0.00 55.36 55.88 1u6f s GLN 27 Cb 0.00 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1u6f s GLN 27 CO 0.00 0.50 0.04 -1.14 -0.55 0.00 0.00 175.29 174.15 1u6f s GLN 28 N -0.53 3.21 0.03 1.67 0.74 -1.26 -5.10 119.66 118.42 1u6f s GLN 28 Ca 0.26 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.93 1u6f s GLN 28 Cb -0.17 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1u6f s GLN 28 CO 0.14 -0.35 0.00 -1.58 -0.55 0.00 0.00 175.29 172.95 1u6f s HIS 29 N 1.50 3.06 -0.19 1.67 2.46 -1.26 -5.05 115.29 117.48 1u6f s HIS 29 Ca 0.04 0.05 -0.11 0.00 0.47 0.00 0.00 55.06 55.50 1u6f s HIS 29 Cb -0.16 -1.63 -0.21 0.00 -0.13 0.00 0.00 32.58 30.45 1u6f s HIS 29 CO 0.01 0.47 0.14 -0.89 -2.47 0.00 0.00 174.74 172.00 1u6f n ILE 30 N 1.12 1.63 -0.26 0.89 5.41 -1.26 -3.99 119.36 122.89 1u6f n ILE 30 Ca -0.13 -0.40 0.07 0.00 1.00 0.00 0.00 62.75 63.29 1u6f n ILE 30 Cb 0.52 -1.81 0.21 0.00 -0.71 0.00 0.00 39.64 37.85 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 -0.43 0.24 0.14 0.38 0.11 -1.96 -3.16 132.00 127.31 1u6f h PRO 31 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1u6f h PRO 31 Cb 1.72 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.78 1u6f h PRO 31 CO -0.10 0.16 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.43 1u6f h PRO 32 N 0.24 -0.18 -7.27 1.05 0.11 -1.91 -3.46 132.00 120.59 1u6f h PRO 32 Ca 0.45 0.01 -0.52 0.00 0.11 0.00 0.00 66.00 66.05 1u6f h PRO 32 Cb 0.81 0.04 0.20 0.00 0.11 0.00 0.00 31.00 32.16 1u6f h PRO 32 CO -0.56 -0.12 0.23 0.99 -0.21 0.00 0.00 178.00 178.33 1u6f s THR 33 N -2.35 2.01 0.07 -1.15 2.01 -1.19 -4.92 115.64 110.12 1u6f s THR 33 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1u6f s THR 33 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1u6f s THR 33 CO 0.08 -0.00 0.00 1.67 -0.69 0.00 0.00 174.62 175.68 1u6f n GLN 34 N -4.23 0.00 -2.62 4.92 7.27 -1.26 -4.83 117.38 116.63 1u6f n GLN 34 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.02 1u6f n GLN 34 Cb 0.52 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.17 1u6f n GLN 34 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1u6f n MET 35 N -2.45 -2.57 -4.26 3.69 1.56 -1.26 -4.96 117.12 106.88 1u6f n MET 35 Ca 0.00 0.73 -0.34 0.00 -0.27 0.00 0.00 57.70 57.82 1u6f n MET 35 Cb 0.00 -5.40 -0.11 0.00 2.15 0.00 0.00 33.22 29.86 1u6f n MET 35 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1u6f s ASN 36 N -2.20 5.18 -0.71 6.12 2.47 -1.26 -5.01 114.94 119.53 1u6f s ASN 36 Ca 0.09 0.00 -0.07 0.00 0.42 0.00 0.00 52.86 53.29 1u6f s ASN 36 Cb -0.04 -1.79 -0.16 0.00 -1.45 0.00 0.00 41.25 37.80 1u6f s ASN 36 CO 0.11 0.21 3.27 -0.81 -3.72 0.00 0.00 177.10 176.16 1u6f n PRO 37 N 3.26 2.79 -3.65 0.43 -0.04 -1.26 -4.89 135.00 131.64 1u6f n PRO 37 Ca -0.17 -1.65 -0.37 0.00 -0.04 0.00 0.00 63.50 61.26 1u6f n PRO 37 Cb 0.53 -2.34 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 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 1.18 3.86 0.29 0.54 0.41 -1.26 -4.97 118.70 118.74 1u6f s GLU 38 Ca 0.67 -0.37 0.15 0.00 -0.41 0.00 0.00 54.97 55.01 1u6f s GLU 38 Cb 0.26 -3.54 0.24 0.00 -1.78 0.00 0.00 34.13 29.31 1u6f s GLU 38 CO -0.04 -0.17 1.52 -1.00 -0.49 0.00 0.00 175.26 175.08 1u6f h PRO 39 N 8.27 0.00 0.00 0.39 0.13 -2.02 -3.20 132.00 135.58 1u6f h PRO 39 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1u6f h PRO 39 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1u6f h PRO 39 CO 0.56 0.53 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.19 1u6f h ASP 40 N 0.00 0.00 -0.73 1.44 3.32 -2.00 -2.38 116.42 116.07 1u6f h ASP 40 Ca -0.01 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 1u6f h ASP 40 Cb 1.27 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.64 1u6f h ASP 40 CO 0.07 0.24 0.39 1.33 -1.72 0.00 0.00 179.24 179.55 1u6f n VAL 41 N -3.92 2.67 -0.12 -1.35 0.24 -1.21 -4.31 118.33 110.32 1u6f n VAL 41 Ca -0.02 -1.46 -0.26 0.00 -2.04 0.00 0.00 64.34 60.57 1u6f n VAL 41 Cb 0.32 -0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 32.09 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 -0.48 1.91 0.24 1.34 4.77 -0.90 -4.28 117.00 119.60 1u6f n LEU 42 Ca 0.42 0.38 0.18 0.00 -0.03 0.00 0.00 56.01 56.96 1u6f n LEU 42 Cb 1.35 -0.88 0.82 0.00 -2.33 0.00 0.00 43.42 42.38 1u6f n LEU 42 CO 0.44 0.41 1.15 0.08 -1.33 0.00 0.00 177.39 178.14 1u6f h ARG 43 N -1.00 0.00 -6.47 3.23 0.11 -1.75 -3.38 114.38 105.11 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 -0.06 0.00 1.11 0.00 0.00 29.97 32.47 1u6f h ARG 43 CO -0.32 0.00 1.06 1.21 0.10 0.00 0.00 179.97 182.02 1u6f s ASN 44 N -4.95 6.25 -0.19 0.08 2.47 -1.26 -0.84 114.94 116.50 1u6f s ASN 44 Ca -0.04 0.26 -0.02 0.00 0.42 0.00 0.00 52.86 53.48 1u6f s ASN 44 Cb 0.12 -2.55 -0.01 0.00 -1.45 0.00 0.00 41.25 37.37 1u6f s ASN 44 CO 0.41 -1.62 -0.08 -0.76 -3.72 0.00 0.00 177.10 171.34 1u6f s LEU 45 N 5.65 2.79 -0.41 3.21 2.01 -0.91 -2.66 118.68 128.36 1u6f s LEU 45 Ca 0.50 -0.39 -0.21 0.00 0.01 0.00 0.00 54.13 54.04 1u6f s LEU 45 Cb -0.10 -1.68 0.02 0.00 0.01 0.00 0.00 46.19 44.43 1u6f s LEU 45 CO 0.26 0.04 0.65 -0.32 1.01 0.00 0.00 176.35 177.98 1u6f s MET 46 N 1.13 3.44 -0.22 1.70 -2.45 0.32 -0.60 119.30 122.63 1u6f s MET 46 Ca 0.01 -0.20 -0.08 0.00 -1.25 0.00 0.00 55.69 54.17 1u6f s MET 46 Cb -0.14 -3.90 -0.04 0.00 1.25 0.00 0.00 34.83 32.00 1u6f s MET 46 CO -0.02 -0.92 0.09 0.14 1.05 0.00 0.00 175.02 175.36 1u6f s VAL 47 N 2.81 4.78 -0.04 10.11 -7.23 0.38 -0.71 120.40 130.49 1u6f s VAL 47 Ca 0.24 -0.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.42 1u6f s VAL 47 Cb -0.14 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1u6f s VAL 47 CO 0.18 0.39 -0.15 0.21 -0.31 0.00 0.00 175.10 175.42 1u6f s ASN 48 N 0.93 1.96 0.12 4.85 3.84 0.17 0.11 114.94 126.92 1u6f s ASN 48 Ca 0.05 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 52.80 1u6f s ASN 48 Cb -0.14 -0.60 0.00 0.00 -0.55 0.00 0.00 41.25 39.97 1u6f s ASN 48 CO 0.03 0.12 0.00 0.00 -2.79 0.00 0.00 177.10 174.46 1u6f n TYR 49 N 3.26 -2.63 -4.13 0.43 4.19 -1.26 0.13 117.16 117.15 1u6f n TYR 49 Ca -0.19 0.40 -0.36 0.00 3.31 0.00 0.00 57.90 61.07 1u6f n TYR 49 Cb 0.53 1.29 -0.08 0.00 0.49 0.00 0.00 39.34 41.57 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 4.90 0.00 2.97 1.01 -1.26 -4.77 121.20 122.05 1u6f s ILE 50 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1u6f s ILE 50 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1u6f s ILE 50 CO 0.00 0.60 0.00 -0.81 0.00 0.00 0.00 174.94 174.73 1u6f n PRO 51 N 2.00 0.00 0.00 2.79 -0.04 -1.26 -3.75 135.00 134.74 1u6f n PRO 51 Ca -0.19 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.41 1u6f n PRO 51 Cb 0.54 -0.01 0.71 0.00 -0.04 0.00 0.00 33.50 34.70 1u6f n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u6f n THR 52 N 0.00 0.07 -0.59 0.52 -2.24 -1.26 -3.34 114.28 107.43 1u6f n THR 52 Ca 0.00 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.87 1u6f n THR 52 Cb 0.00 -0.55 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u6f n THR 53 N -1.29 1.69 -2.08 4.28 -1.04 -1.25 -4.52 114.28 110.07 1u6f n THR 53 Ca 0.13 -1.40 -0.43 0.00 -2.04 0.00 0.00 64.05 60.32 1u6f n THR 53 Cb 0.23 0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.91 3.64 -0.06 12.58 0.11 -1.21 -4.91 120.40 128.64 1u6f s VAL 54 Ca 0.36 0.72 0.04 0.00 -2.93 0.00 0.00 61.98 60.17 1u6f s VAL 54 Cb 0.25 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.41 1u6f s VAL 54 CO 0.15 -0.28 -0.16 -0.62 -3.33 0.00 0.00 175.10 170.85 1u6f s ASP 55 N 4.45 3.86 0.55 3.54 -1.08 -1.26 -4.76 116.67 121.97 1u6f s ASP 55 Ca 0.73 -0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.74 1u6f s ASP 55 Cb -0.25 -0.89 1.51 0.00 -1.46 0.00 0.00 42.92 41.83 1u6f s ASP 55 CO 0.30 0.31 2.14 1.05 0.52 0.00 0.00 175.17 179.49 1u6f h GLU 56 N 5.57 0.00 0.24 4.34 4.11 -1.94 -2.45 114.58 124.46 1u6f h GLU 56 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 1u6f h GLU 56 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1u6f h GLU 56 CO 0.50 0.00 -0.11 0.28 0.07 0.00 0.00 179.01 179.75 1u6f h VAL 57 N 0.00 0.78 -0.65 -1.06 2.07 -1.96 1.04 116.25 116.46 1u6f h VAL 57 Ca 0.06 -0.82 0.14 0.00 0.82 0.00 0.00 66.70 66.89 1u6f h VAL 57 Cb 0.27 1.20 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 1u6f h VAL 57 CO -0.00 0.16 -0.09 1.56 0.02 0.00 0.00 177.57 179.22 1u6f h GLN 58 N -0.78 0.05 0.00 1.57 1.08 -1.86 0.51 115.11 115.68 1u6f h GLN 58 Ca -0.03 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 1u6f h GLN 58 Cb 0.51 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1u6f h GLN 58 CO 0.05 0.03 -0.40 1.37 -0.95 0.00 0.00 178.83 178.93 1u6f h LEU 59 N 0.05 0.00 0.17 1.46 8.10 -1.52 -2.61 115.31 120.96 1u6f h LEU 59 Ca 0.33 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.33 1u6f h LEU 59 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.72 1u6f h LEU 59 CO -0.63 0.40 -0.29 -0.09 -4.11 0.00 0.00 178.44 173.73 1u6f h ARG 60 N 0.00 -0.52 0.04 0.17 1.12 0.62 1.24 114.38 117.05 1u6f h ARG 60 Ca -0.00 0.04 -0.20 0.00 -1.11 0.00 0.00 59.98 58.70 1u6f h ARG 60 Cb 1.22 0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.31 1u6f h ARG 60 CO 0.05 -0.34 -0.82 1.96 -3.11 0.00 0.00 179.97 177.70 1u6f h GLN 61 N -0.53 0.49 -0.44 0.20 4.20 -1.31 -0.04 115.11 117.67 1u6f h GLN 61 Ca 0.02 -0.58 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 1u6f h GLN 61 Cb 0.54 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1u6f h GLN 61 CO -0.13 1.21 0.15 1.25 -0.67 0.00 0.00 178.83 180.64 1u6f h LEU 62 N 0.02 0.63 0.03 1.46 5.85 -1.38 -2.03 115.31 119.89 1u6f h LEU 62 Ca -0.11 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.27 1u6f h LEU 62 Cb 1.53 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1u6f h LEU 62 CO 0.16 0.66 -0.73 -0.26 -0.34 0.00 0.00 178.44 177.92 1u6f h PHE 63 N 0.57 0.11 -0.32 1.25 -1.00 0.15 -3.32 116.94 114.38 1u6f h PHE 63 Ca 0.14 -0.08 0.09 0.00 2.81 0.00 0.00 57.97 60.94 1u6f h PHE 63 Cb 0.24 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1u6f h PHE 63 CO 0.01 1.29 0.34 1.05 -1.61 0.00 0.00 178.31 179.38 1u6f h GLU 64 N -0.84 0.00 -0.12 1.51 4.11 -0.98 -1.41 114.58 116.85 1u6f h GLU 64 Ca -0.18 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.29 1u6f h GLU 64 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1u6f h GLU 64 CO -0.06 0.00 -0.21 -0.09 0.07 0.00 0.00 179.01 178.73 1u6f h ARG 65 N 0.00 -0.26 -0.00 1.06 2.43 -1.46 -0.04 114.38 116.12 1u6f h ARG 65 Ca 0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1u6f h ARG 65 Cb 0.83 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1u6f h ARG 65 CO -0.00 -0.17 -0.08 0.66 -1.51 0.00 0.00 179.97 178.86 1u6f n TYR 66 N -5.34 0.00 -3.02 2.20 4.02 -0.59 -4.67 117.16 109.76 1u6f n TYR 66 Ca -0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1u6f n TYR 66 Cb 0.26 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 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 -2.78 -1.21 -0.26 2.72 0.00 -0.39 -4.49 107.32 100.91 1u6f s GLY 67 Ca 0.20 1.57 -0.42 0.00 0.00 0.00 0.00 44.72 46.08 1u6f s GLY 67 CO 0.52 4.11 1.54 -1.05 0.00 0.00 0.00 173.10 178.23 1u6f n PRO 68 N 4.57 0.61 -2.83 2.90 -0.02 -0.17 -3.97 135.00 136.08 1u6f n PRO 68 Ca 0.08 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1u6f n PRO 68 Cb 0.59 -1.81 -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 2.42 4.30 -0.23 4.25 -4.36 -1.26 -0.96 121.20 125.36 1u6f s ILE 69 Ca 0.98 1.68 -0.10 0.00 -0.26 0.00 0.00 60.65 62.95 1u6f s ILE 69 Cb -1.22 -3.90 -0.10 0.00 1.25 0.00 0.00 42.46 38.48 1u6f s ILE 69 CO 0.67 0.05 -0.28 1.21 0.24 0.00 0.00 174.94 176.83 1u6f n GLU 70 N 0.31 0.48 -3.76 0.37 2.13 0.20 -4.70 120.64 115.67 1u6f n GLU 70 Ca 0.03 0.20 -0.29 0.00 0.66 0.00 0.00 57.16 57.76 1u6f n GLU 70 Cb 0.51 -1.32 -0.16 0.00 0.27 0.00 0.00 31.44 30.74 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1u6f s SER 71 N -6.92 3.46 0.06 4.31 0.01 -1.03 -5.03 113.70 108.56 1u6f s SER 71 Ca -0.31 -1.17 0.06 0.00 1.31 0.00 0.00 55.95 55.83 1u6f s SER 71 Cb 0.12 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1u6f s SER 71 CO 0.41 -0.34 -0.10 0.54 0.41 0.00 0.00 173.24 174.15 1u6f s VAL 72 N 1.71 3.34 0.21 3.43 0.11 -1.26 -0.84 120.40 127.11 1u6f s VAL 72 Ca 0.02 -1.10 -0.17 0.00 -2.93 0.00 0.00 61.98 57.80 1u6f s VAL 72 Cb -0.17 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 1u6f s VAL 72 CO -0.15 0.24 0.53 -0.75 -3.33 0.00 0.00 175.10 171.64 1u6f s LYS 73 N -1.82 1.42 -0.08 1.54 2.20 0.25 -4.98 119.74 118.26 1u6f s LYS 73 Ca 0.19 -0.91 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1u6f s LYS 73 Cb -0.11 0.52 -0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1u6f s LYS 73 CO 0.10 -0.61 -0.22 -1.50 -0.36 0.00 0.00 175.35 172.76 1u6f s ILE 74 N -3.89 1.90 -0.68 5.43 -1.16 -1.26 0.21 121.20 121.74 1u6f s ILE 74 Ca 0.11 -0.95 -0.23 0.00 -0.51 0.00 0.00 60.65 59.07 1u6f s ILE 74 Cb -0.01 -1.63 0.06 0.00 0.61 0.00 0.00 42.46 41.49 1u6f s ILE 74 CO -0.01 0.53 1.03 -0.69 -2.81 0.00 0.00 174.94 172.99 1u6f s VAL 75 N 0.19 4.22 0.84 4.00 1.01 0.38 -4.85 120.40 126.20 1u6f s VAL 75 Ca -0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1u6f s VAL 75 Cb -0.16 -4.73 0.10 0.00 0.00 0.00 0.00 36.38 31.59 1u6f s VAL 75 CO 0.06 -1.54 1.14 0.00 0.00 0.00 0.00 175.10 174.76 1u6f s ASP 77 N -4.21 6.66 0.00 0.00 1.11 0.14 -4.73 116.67 115.64 1u6f s ASP 77 Ca 0.62 0.78 0.22 0.00 0.18 0.00 0.00 52.55 54.35 1u6f s ASP 77 Cb -0.13 -2.26 0.95 0.00 1.07 0.00 0.00 42.92 42.55 1u6f s ASP 77 CO 0.52 0.08 1.70 -2.11 1.18 0.00 0.00 175.17 176.55 1u6f n ARG 78 N 3.30 0.03 0.00 8.23 1.85 -1.26 0.48 116.66 129.29 1u6f n ARG 78 Ca -0.09 0.12 -0.13 0.00 -1.00 0.00 0.00 57.85 56.75 1u6f n ARG 78 Cb 0.52 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.33 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 -0.04 2.89 3.07 -1.95 -3.36 114.58 115.13 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 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1u6f h GLU 79 CO 0.00 0.46 0.00 -2.37 -1.40 0.00 0.00 179.01 175.70 1u6f n THR 80 N -4.86 0.32 -2.58 1.13 5.66 -1.23 -4.99 114.28 107.75 1u6f n THR 80 Ca -0.09 -0.66 -0.19 0.00 -3.05 0.00 0.00 64.05 60.06 1u6f n THR 80 Cb 0.28 0.89 -0.00 0.00 -1.55 0.00 0.00 70.33 69.95 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1u6f n ARG 81 N 0.08 -2.51 -4.16 1.09 5.12 0.18 -4.97 116.66 111.49 1u6f n ARG 81 Ca 0.03 0.86 -0.23 0.00 -1.93 0.00 0.00 57.85 56.58 1u6f n ARG 81 Cb 0.16 -5.55 -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 -5.22 2.49 -1.08 5.56 -0.21 -1.16 -4.86 119.66 115.18 1u6f s GLN 82 Ca 0.08 -1.37 -0.25 0.00 0.02 0.00 0.00 55.36 53.84 1u6f s GLN 82 Cb -0.04 -2.28 -0.17 0.00 1.00 0.00 0.00 33.01 31.53 1u6f s GLN 82 CO 0.10 0.27 2.01 0.45 -2.12 0.00 0.00 175.29 176.00 1u6f n SER 83 N -1.07 2.17 0.00 5.90 2.88 -1.26 -0.69 113.62 121.55 1u6f n SER 83 Ca -0.05 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1u6f n SER 83 Cb 0.59 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 1u6f n SER 83 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1u6f n ARG 84 N 8.15 3.99 0.00 -1.46 0.63 -1.26 -3.65 116.66 123.06 1u6f n ARG 84 Ca 0.43 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1u6f n ARG 84 Cb 0.46 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.37 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 5.00 0.23 3.82 5.14 0.00 -1.26 -4.07 105.19 114.05 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 0.34 1.61 -0.85 -1.06 -4.71 117.35 112.68 1u6f s TYR 86 Ca 0.00 -0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.39 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 0.17 0.20 -1.52 0.00 0.00 175.55 173.80 1u6f s GLY 87 N -3.30 1.92 -0.09 5.49 0.00 0.31 0.15 107.32 111.79 1u6f s GLY 87 Ca 0.20 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 43.15 1u6f s GLY 87 CO 0.01 -1.73 -0.18 -1.36 0.00 0.00 0.00 173.10 169.84 1u6f s PHE 88 N -2.41 2.07 -0.22 1.90 0.40 0.57 0.14 117.98 120.44 1u6f s PHE 88 Ca 0.38 -0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1u6f s PHE 88 Cb -0.03 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 42.12 1u6f s PHE 88 CO 0.23 -0.39 -0.01 0.14 0.70 0.00 0.00 175.22 175.89 1u6f s VAL 89 N 0.60 1.03 -0.45 -0.44 -7.23 0.23 0.84 120.40 114.99 1u6f s VAL 89 Ca -0.14 -0.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 1u6f s VAL 89 Cb -0.17 -1.42 0.02 0.00 0.56 0.00 0.00 36.38 35.38 1u6f s VAL 89 CO 0.05 -0.16 0.74 -0.75 -0.31 0.00 0.00 175.10 174.67 1u6f s LYS 90 N 1.62 3.37 0.62 4.82 2.20 -0.02 -2.14 119.74 130.22 1u6f s LYS 90 Ca -0.03 -0.18 -0.16 0.00 -0.36 0.00 0.00 55.97 55.24 1u6f s LYS 90 Cb -0.18 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.18 1u6f s LYS 90 CO -0.07 -1.08 1.10 -0.06 -0.36 0.00 0.00 175.35 174.87 1u6f s PHE 91 N 3.15 2.73 0.61 4.03 0.40 -0.02 0.58 117.98 129.46 1u6f s PHE 91 Ca 0.28 1.54 0.28 0.00 -0.60 0.00 0.00 56.93 58.43 1u6f s PHE 91 Cb -0.13 -3.14 1.45 0.00 0.51 0.00 0.00 43.02 41.71 1u6f s PHE 91 CO 0.22 -1.50 1.85 1.96 0.70 0.00 0.00 175.22 178.45 1u6f h GLN 92 N 0.34 0.00 -2.34 0.44 4.20 -1.33 -3.41 115.11 113.01 1u6f h GLN 92 Ca -0.47 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1u6f h GLN 92 Cb 1.24 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.85 1u6f h GLN 92 CO 0.55 0.00 0.20 0.45 -0.67 0.00 0.00 178.83 179.37 1u6f s SER 93 N -4.89 -0.62 0.53 1.46 0.15 -1.26 -4.98 113.70 104.08 1u6f s SER 93 Ca -0.04 0.47 0.22 0.00 0.70 0.00 0.00 55.95 57.29 1u6f s SER 93 Cb 0.13 0.56 1.34 0.00 -1.71 0.00 0.00 66.02 66.35 1u6f s SER 93 CO 0.46 -0.73 2.06 1.23 1.20 0.00 0.00 173.24 177.46 1u6f h GLY 94 N 2.65 0.00 2.00 9.45 0.00 -1.83 0.12 103.07 115.46 1u6f h GLY 94 Ca -0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1u6f h GLY 94 CO 0.39 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 177.15 1u6f h SER 95 N 0.00 0.00 1.04 0.19 0.87 -1.95 -0.17 113.55 113.53 1u6f h SER 95 Ca 0.15 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 1u6f h SER 95 Cb 0.61 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1u6f h SER 95 CO -0.00 0.00 -0.98 0.28 -0.53 0.00 0.00 176.83 175.61 1u6f h SER 96 N 0.00 0.00 -0.31 6.23 0.02 -1.14 -3.32 113.55 115.03 1u6f h SER 96 Ca -0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1u6f h SER 96 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1u6f h SER 96 CO 0.00 0.90 0.12 0.00 -1.14 0.00 0.00 176.83 176.71 1u6f h ALA 97 N 1.10 0.36 -0.62 3.77 0.00 -0.95 0.39 119.26 123.32 1u6f h ALA 97 Ca -0.03 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1u6f h ALA 97 Cb 1.71 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1u6f h ALA 97 CO 0.11 -0.27 0.41 -0.56 0.00 0.00 0.00 179.25 178.94 1u6f h GLN 98 N 0.27 0.49 -0.04 0.00 3.07 -1.63 0.27 115.11 117.53 1u6f h GLN 98 Ca 0.14 -0.03 -0.17 0.00 0.09 0.00 0.00 58.65 58.68 1u6f h GLN 98 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 1u6f h GLN 98 CO -0.13 0.32 -0.73 1.96 0.09 0.00 0.00 178.83 180.34 1u6f h GLN 99 N 0.50 0.24 0.29 0.06 4.20 -1.36 -1.51 115.11 117.53 1u6f h GLN 99 Ca 0.28 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1u6f h GLN 99 Cb 0.44 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1u6f h GLN 99 CO -0.08 0.87 -0.14 0.00 -0.67 0.00 0.00 178.83 178.81 1u6f h ALA 100 N 1.07 -0.39 -0.06 3.87 0.00 0.12 -2.36 119.26 121.52 1u6f h ALA 100 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1u6f h ALA 100 Cb 1.30 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1u6f h ALA 100 CO 0.11 -0.46 0.06 0.82 0.00 0.00 0.00 179.25 179.79 1u6f h ILE 101 N -0.91 0.57 -0.09 0.00 1.08 -0.67 1.22 117.51 118.71 1u6f h ILE 101 Ca -0.04 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.21 1u6f h ILE 101 Cb 0.51 0.95 0.01 0.00 -3.07 0.00 0.00 36.82 35.22 1u6f h ILE 101 CO 0.06 0.00 -0.84 0.00 -0.69 0.00 0.00 178.15 176.69 1u6f h ALA 102 N 1.93 0.34 0.00 1.87 0.00 -1.18 -3.08 119.26 119.14 1u6f h ALA 102 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u6f h ALA 102 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u6f h ALA 102 CO -0.00 0.72 -0.04 0.41 0.00 0.00 0.00 179.25 180.33 1u6f n GLY 103 N 0.77 3.62 0.00 0.00 0.00 -0.74 -4.79 105.19 104.05 1u6f n GLY 103 Ca -0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.98 0.58 -4.69 0.99 4.77 0.41 -4.87 117.00 113.21 1u6f n LEU 104 Ca 0.09 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.54 1u6f n LEU 104 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1u6f n LEU 104 CO 0.01 0.10 1.35 -3.20 -1.33 0.00 0.00 177.39 174.31 1u6f n ASN 105 N -1.64 2.75 -1.35 -1.43 5.15 -1.14 0.30 115.26 117.90 1u6f n ASN 105 Ca 0.00 1.04 -0.17 0.00 -0.60 0.00 0.00 54.58 54.85 1u6f n ASN 105 Cb 0.10 -1.24 -0.07 0.00 -0.53 0.00 0.00 39.78 38.04 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 4.12 1.61 3.52 8.20 0.00 0.29 -4.78 105.19 118.14 1u6f n GLY 106 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.24 0.41 -2.19 1.61 -0.00 0.15 -4.48 117.46 110.72 1u6f n PHE 107 Ca -0.17 -0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 56.97 1u6f n PHE 107 Cb 0.62 -1.25 -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 3.87 5.47 0.57 -2.13 2.20 -1.26 -0.44 114.94 123.21 1u6f s ASN 108 Ca 1.19 -1.71 -0.08 0.00 -0.94 0.00 0.00 52.86 51.32 1u6f s ASN 108 Cb -0.61 -2.58 -0.02 0.00 -2.00 0.00 0.00 41.25 36.03 1u6f s ASN 108 CO 0.40 -2.60 0.92 -0.51 -2.94 0.00 0.00 177.10 172.38 1u6f s ILE 109 N 9.30 4.48 0.33 0.54 2.07 0.13 -4.96 121.20 133.10 1u6f s ILE 109 Ca 0.65 0.42 0.09 0.00 -1.41 0.00 0.00 60.65 60.40 1u6f s ILE 109 Cb -0.00 -3.76 0.32 0.00 0.13 0.00 0.00 42.46 39.15 1u6f s ILE 109 CO 0.10 -0.86 1.79 0.25 -1.91 0.00 0.00 174.94 174.31 1u6f h LEU 110 N -0.12 0.69 0.00 8.50 6.46 -2.04 -2.99 115.31 125.82 1u6f h LEU 110 Ca -0.45 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1u6f h LEU 110 Cb 1.21 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1u6f h LEU 110 CO 0.62 0.24 -0.00 0.78 -0.62 0.00 0.00 178.44 179.46 1u6f h ASN 111 N 0.67 -0.00 -1.51 1.25 2.35 -1.98 -3.49 115.58 112.85 1u6f h ASN 111 Ca 0.56 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1u6f h ASN 111 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1u6f h ASN 111 CO -0.33 0.73 0.00 1.17 -1.65 0.00 0.00 177.43 177.34 1u6f n LYS 112 N -4.70 0.00 -3.97 0.81 3.00 -1.13 -5.15 118.16 107.01 1u6f n LYS 112 Ca -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.96 1u6f n LYS 112 Cb 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.09 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 -1.47 1.90 -0.69 1.64 3.52 -1.26 0.19 118.95 122.78 1u6f s ARG 113 Ca 0.00 -0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 54.56 1u6f s ARG 113 Cb 0.00 -2.34 -0.02 0.00 -1.56 0.00 0.00 34.95 31.03 1u6f s ARG 113 CO 0.00 -0.43 1.81 -0.51 -0.81 0.00 0.00 175.30 175.36 1u6f s LEU 114 N 1.44 3.26 -0.26 -0.88 1.43 0.42 -4.46 118.68 119.63 1u6f s LEU 114 Ca -0.01 0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 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 -2.37 0.69 -0.75 0.23 0.00 0.00 176.35 174.07 1u6f s LYS 115 N 6.86 4.10 -0.12 1.70 2.20 0.12 0.10 119.74 134.70 1u6f s LYS 115 Ca 0.64 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.89 1u6f s LYS 115 Cb -0.11 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1u6f s LYS 115 CO 0.15 -0.47 -0.15 0.08 -0.36 0.00 0.00 175.35 174.61 1u6f s VAL 116 N 2.62 1.52 -0.01 4.02 1.01 -1.25 0.44 120.40 128.75 1u6f s VAL 116 Ca 0.29 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1u6f s VAL 116 Cb -0.15 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1u6f s VAL 116 CO 0.09 0.45 -0.05 0.00 0.00 0.00 0.00 175.10 175.58 1u6f s ALA 117 N 1.16 0.48 -0.24 5.51 0.00 0.11 -4.67 121.76 124.11 1u6f s ALA 117 Ca -0.03 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1u6f s ALA 117 Cb -0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1u6f s ALA 117 CO -0.05 0.10 1.72 -0.51 0.00 0.00 0.00 175.76 177.02 1u6f s LEU 118 N -0.00 3.78 0.00 0.00 2.01 -1.26 0.12 118.68 123.34 1u6f s LEU 118 Ca 0.00 1.60 0.00 0.00 0.01 0.00 0.00 54.13 55.74 1u6f s LEU 118 Cb -0.04 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1u6f s LEU 118 CO -0.00 -1.42 0.43 0.00 1.01 0.00 0.00 176.35 176.37 1u6f n ALA 119 N 9.10 0.00 0.00 4.21 0.00 -1.09 -4.91 120.51 127.82 1u6f n ALA 119 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1u6f n ALA 119 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1u6f n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6f n ALA 120 N -0.59 0.00 0.10 0.00 0.00 -1.26 -4.90 120.51 113.86 1u6f n ALA 120 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1u6f n ALA 120 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1u6f n ALA 120 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u6f h SER 121 N 0.00 0.21 -5.26 0.00 0.87 -1.89 -3.44 113.55 104.03 1u6f h SER 121 Ca 0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1u6f h SER 121 Cb 0.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1u6f h SER 121 CO 0.00 0.75 -0.81 0.61 -0.53 0.00 0.00 176.83 176.85 1u6f n GLY 122 N 0.21 -2.93 3.56 5.77 0.00 -1.26 -4.98 105.19 105.56 1u6f n GLY 122 Ca -0.02 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 1u6f n GLY 122 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6f s HIS 123 N -2.00 1.39 -0.20 1.61 -3.43 -1.26 -5.02 115.29 106.39 1u6f s HIS 123 Ca 0.11 0.95 -0.09 0.00 -0.80 0.00 0.00 55.06 55.22 1u6f s HIS 123 Cb -0.03 -3.19 -0.09 0.00 -1.43 0.00 0.00 32.58 27.85 1u6f s HIS 123 CO 0.76 -3.62 -0.25 1.04 -2.00 0.00 0.00 174.74 170.67 1u6f n GLN 124 N -4.69 0.42 -2.68 -0.38 6.02 -1.26 -4.97 117.38 109.84 1u6f n GLN 124 Ca 0.05 0.18 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 1u6f n GLN 124 Cb 0.57 -1.21 0.09 0.00 1.02 0.00 0.00 30.24 30.71 1u6f n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1u6f n ARG 125 N -3.84 0.36 -0.36 -1.09 0.63 -1.26 -5.03 116.66 106.07 1u6f n ARG 125 Ca -0.39 -1.02 0.07 0.00 -0.92 0.00 0.00 57.85 55.59 1u6f n ARG 125 Cb 0.78 -0.45 0.23 0.00 0.45 0.00 0.00 32.46 33.47 1u6f n ARG 125 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1u6f h PRO 126 N 2.73 0.99 0.00 -0.14 0.11 -2.02 -3.46 132.00 130.20 1u6f h PRO 126 Ca -0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1u6f h PRO 126 Cb 1.18 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1u6f h PRO 126 CO 0.00 0.66 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1u6f n GLY 127 N -1.35 0.73 4.12 -0.55 0.00 -1.26 -4.41 105.19 102.47 1u6f n GLY 127 Ca 0.18 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.50 -3.39 -0.61 3.06 -1.26 0.94 119.36 117.60 1u6f n ILE 128 Ca 0.00 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.02 1u6f n ILE 128 Cb 0.00 -1.06 0.06 0.00 0.54 0.00 0.00 39.64 39.18 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 -3.99 -1.17 0.00 1.51 0.00 -1.26 -4.81 120.51 110.80 1u6f n ALA 129 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1u6f n ALA 129 Cb 0.48 -4.89 0.00 0.00 0.00 0.00 0.00 19.45 15.04 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 -1.83 -0.86 3.96 0.00 0.00 0.27 -5.18 105.19 101.55 1u6f n GLY 130 Ca -0.03 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 3.19 -0.15 4.61 0.00 -0.60 -4.98 121.76 123.83 1u6f s ALA 131 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1u6f s ALA 131 Cb 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.81 1u6f s ALA 131 CO 0.00 -1.62 0.14 0.54 0.00 0.00 0.00 175.76 174.82 1u6f s VAL 132 N -3.34 -0.19 -0.63 0.00 0.11 -1.26 -5.05 120.40 110.03 1u6f s VAL 132 Ca 0.66 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.76 1u6f s VAL 132 Cb -0.07 -0.51 0.33 0.00 -1.53 0.00 0.00 36.38 34.60 1u6f s VAL 132 CO 0.46 -0.13 1.01 0.61 -3.33 0.00 0.00 175.10 173.72 1u6f n GLY 133 N 5.30 5.57 3.06 6.54 0.00 -1.26 -4.89 105.19 119.51 1u6f n GLY 133 Ca -0.06 -2.77 -0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.16 -1.36 0.00 1.61 2.15 -1.26 -5.07 116.67 109.58 1u6f s ASP 134 Ca 0.47 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.56 1u6f s ASP 134 Cb 0.25 1.74 0.00 0.00 -0.30 0.00 0.00 42.92 44.62 1u6f s ASP 134 CO -0.12 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1u6f n GLY 135 N 4.00 -1.43 1.45 2.66 0.00 -1.26 -5.17 105.19 105.43 1u6f n GLY 135 Ca 0.12 0.57 0.19 0.00 0.00 0.00 0.00 46.02 46.90 1u6f n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1u6f n ASN 136 N -0.27 -8.67 0.00 1.61 2.85 -1.26 -5.07 115.26 104.45 1u6f n ASN 136 Ca 0.00 0.85 0.00 0.00 -0.11 0.00 0.00 54.58 55.32 1u6f n ASN 136 Cb 0.00 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.46 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 -4.29 0.00 0.13 8.20 0.00 -1.26 -4.92 105.19 103.05 1u6f n GLY 137 Ca -0.02 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1u6f n GLY 137 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1u6f h TYR 138 N 0.00 0.47 0.00 1.61 0.05 -2.08 -3.58 116.97 113.43 1u6f h TYR 138 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.60 1u6f h TYR 138 Cb 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1u6f h TYR 138 CO 0.00 0.89 0.00 1.28 -1.05 0.00 0.00 178.16 179.28