#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 3.88 -0.01 6.12 0.15 -1.26 -5.02 113.70 117.56 1u6f s SER 2 Ca 0.00 -1.22 -0.01 0.00 0.70 0.00 0.00 55.95 55.42 1u6f s SER 2 Cb 0.00 -1.18 -0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1u6f s SER 2 CO 0.00 -0.25 -0.02 1.67 1.20 0.00 0.00 173.24 175.85 1u6f n GLN 3 N 4.67 0.03 -3.25 5.44 -0.06 -1.26 -4.96 117.38 117.99 1u6f n GLN 3 Ca -0.11 0.21 -0.12 0.00 -2.00 0.00 0.00 57.00 54.99 1u6f n GLN 3 Cb 0.44 -0.76 -0.05 0.00 -4.06 0.00 0.00 30.24 25.80 1u6f n GLN 3 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 1u6f s ILE 4 N -1.10 -0.51 0.62 1.69 -4.36 -1.26 -5.15 121.20 111.13 1u6f s ILE 4 Ca -0.01 -0.91 -0.18 0.00 -0.26 0.00 0.00 60.65 59.29 1u6f s ILE 4 Cb 0.00 -0.47 -0.06 0.00 1.25 0.00 0.00 42.46 43.18 1u6f s ILE 4 CO 0.02 -0.43 0.72 -2.65 0.24 0.00 0.00 174.94 172.84 1u6f n PRO 5 N 3.98 0.61 0.05 0.37 -0.02 -1.26 -4.97 135.00 133.75 1u6f n PRO 5 Ca 0.14 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1u6f n PRO 5 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1u6f n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u6f n LEU 6 N -0.27 0.87 -0.05 2.45 4.32 -1.26 -4.93 117.00 118.13 1u6f n LEU 6 Ca 0.12 0.15 -0.05 0.00 -0.02 0.00 0.00 56.01 56.21 1u6f n LEU 6 Cb 0.48 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.98 1u6f n LEU 6 CO 0.50 -0.66 -0.80 1.33 -1.22 0.00 0.00 177.39 176.53 1u6f n VAL 7 N -3.43 0.62 -1.46 4.08 0.24 -1.26 -5.13 118.33 112.00 1u6f n VAL 7 Ca 0.00 -0.36 0.19 0.00 -2.04 0.00 0.00 64.34 62.13 1u6f n VAL 7 Cb 0.06 -0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 31.57 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1u6f n SER 8 N -2.41 -8.62 0.00 -1.34 7.64 -1.26 -5.02 113.62 102.61 1u6f n SER 8 Ca -0.15 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1u6f n SER 8 Cb 0.78 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1u6f n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u6f n GLN 9 N -4.34 0.00 -3.15 1.43 7.27 -1.26 -5.11 117.38 112.23 1u6f n GLN 9 Ca -0.05 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.06 1u6f n GLN 9 Cb 0.68 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.32 1u6f n GLN 9 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1u6f s TYR 10 N -1.54 -1.40 0.05 3.69 6.14 -1.26 -5.04 117.35 117.99 1u6f s TYR 10 Ca 0.00 1.49 0.00 0.00 0.64 0.00 0.00 57.07 59.20 1u6f s TYR 10 Cb 0.00 0.49 0.00 0.00 0.42 0.00 0.00 41.96 42.87 1u6f s TYR 10 CO 0.00 -0.77 0.00 -0.25 0.64 0.00 0.00 175.55 175.17 1u6f n ASP 11 N 5.44 -0.42 0.29 4.32 8.00 -1.26 -4.96 116.55 127.95 1u6f n ASP 11 Ca -0.02 0.43 0.15 0.00 0.71 0.00 0.00 54.79 56.07 1u6f n ASP 11 Cb 0.52 0.75 0.91 0.00 -0.02 0.00 0.00 41.12 43.27 1u6f n ASP 11 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1u6f h PRO 12 N 0.00 0.00 -1.51 -0.24 0.13 -2.04 -3.44 132.00 124.90 1u6f h PRO 12 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 1u6f h PRO 12 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1u6f h PRO 12 CO 0.00 0.00 0.69 -0.47 -0.23 0.00 0.00 178.00 177.99 1u6f s TYR 13 N -4.63 -0.24 0.36 1.56 5.04 -1.26 -5.19 117.35 113.00 1u6f s TYR 13 Ca -0.05 0.34 0.05 0.00 -2.44 0.00 0.00 57.07 54.97 1u6f s TYR 13 Cb 0.15 0.48 -0.06 0.00 0.35 0.00 0.00 41.96 42.88 1u6f s TYR 13 CO 0.55 -0.26 0.05 0.20 -1.34 0.00 0.00 175.55 174.74 1u6f s GLY 14 N -1.45 2.28 -0.01 8.97 0.00 -1.26 -4.82 107.32 111.02 1u6f s GLY 14 Ca 0.04 -2.02 -0.00 0.00 0.00 0.00 0.00 44.72 42.73 1u6f s GLY 14 CO -0.03 -1.92 -0.01 -1.06 0.00 0.00 0.00 173.10 170.08 1u6f n GLN 15 N -0.81 0.01 -2.43 2.90 1.13 -1.26 -5.13 117.38 111.79 1u6f n GLN 15 Ca -0.04 0.01 -0.03 0.00 -1.94 0.00 0.00 57.00 55.00 1u6f n GLN 15 Cb 0.67 -0.54 -0.02 0.00 0.11 0.00 0.00 30.24 30.45 1u6f n GLN 15 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1u6f n THR 16 N -3.01-13.06 -2.06 5.09 -1.04 -1.26 -4.88 114.28 94.06 1u6f n THR 16 Ca -0.01 2.96 0.00 0.00 -2.04 0.00 0.00 64.05 64.96 1u6f n THR 16 Cb 0.51 -6.27 0.00 0.00 -1.82 0.00 0.00 70.33 62.75 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u6f n ALA 17 N 1.74 -2.10 -4.01 2.41 0.00 -1.26 -4.99 120.51 112.31 1u6f n ALA 17 Ca -0.19 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1u6f n ALA 17 Cb 0.30 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 1u6f n ALA 17 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1u6f s GLN 18 N -0.77 2.41 0.61 0.00 -0.21 -1.26 -5.12 119.66 115.32 1u6f s GLN 18 Ca 0.00 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1u6f s GLN 18 Cb 0.00 -2.88 0.06 0.00 1.00 0.00 0.00 33.01 31.20 1u6f s GLN 18 CO 0.00 -0.51 0.85 -0.51 -2.12 0.00 0.00 175.29 173.00 1u6f s LEU 19 N 1.16 3.15 -0.18 2.90 2.01 -1.26 -5.10 118.68 121.36 1u6f s LEU 19 Ca -0.06 -0.11 0.01 0.00 0.01 0.00 0.00 54.13 53.98 1u6f s LEU 19 Cb -0.19 -2.60 0.03 0.00 0.01 0.00 0.00 46.19 43.45 1u6f s LEU 19 CO -0.06 -1.38 -0.13 -1.10 1.01 0.00 0.00 176.35 174.70 1u6f s GLN 20 N -4.90 2.21 0.00 1.70 -0.21 -1.26 -4.91 119.66 112.29 1u6f s GLN 20 Ca 0.60 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.25 1u6f s GLN 20 Cb -0.09 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.62 1u6f s GLN 20 CO 0.40 -0.34 0.00 1.04 -2.12 0.00 0.00 175.29 174.28 1u6f n GLN 21 N 4.71 0.00 0.00 2.91 1.13 -1.26 -5.05 117.38 119.82 1u6f n GLN 21 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1u6f n GLN 21 Cb 0.48 -0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.77 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 -2.18 0.00 -4.34 1.08 4.77 -1.26 -4.54 117.00 110.53 1u6f n LEU 22 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 1u6f n LEU 22 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1u6f n LEU 22 CO 0.00 0.00 0.68 -1.58 -1.33 0.00 0.00 177.39 175.16 1u6f s GLN 23 N 0.00 3.96 -0.02 3.23 2.00 -1.26 -4.87 119.66 122.70 1u6f s GLN 23 Ca 0.00 -2.87 -0.00 0.00 -2.00 0.00 0.00 55.36 50.49 1u6f s GLN 23 Cb 0.00 -4.54 -0.00 0.00 0.80 0.00 0.00 33.01 29.27 1u6f s GLN 23 CO 0.00 -1.30 -0.00 1.96 -0.50 0.00 0.00 175.29 175.45 1u6f h GLN 24 N 7.16 0.00 0.00 1.67 4.20 -2.02 -3.48 115.11 122.64 1u6f h GLN 24 Ca 0.16 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.57 1u6f h GLN 24 Cb 0.94 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.87 1u6f h GLN 24 CO 0.93 0.00 0.06 1.04 -0.67 0.00 0.00 178.83 180.19 1u6f n GLN 25 N -2.50 -2.82 -3.18 1.46 1.13 -1.26 -4.27 117.38 105.94 1u6f n GLN 25 Ca -0.00 -1.31 -0.20 0.00 -1.94 0.00 0.00 57.00 53.55 1u6f n GLN 25 Cb 0.00 -1.27 0.05 0.00 0.11 0.00 0.00 30.24 29.13 1u6f n GLN 25 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1u6f n GLN 26 N -4.15 -5.56 -4.47 -1.09 7.27 -1.26 -5.01 117.38 103.11 1u6f n GLN 26 Ca 0.11 0.75 -0.24 0.00 0.07 0.00 0.00 57.00 57.70 1u6f n GLN 26 Cb 0.45 -5.40 -0.10 0.00 2.41 0.00 0.00 30.24 27.60 1u6f n GLN 26 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1u6f s GLN 27 N -5.84 1.66 0.36 3.69 0.74 -1.26 -5.15 119.66 113.86 1u6f s GLN 27 Ca 0.38 -1.77 0.06 0.00 0.05 0.00 0.00 55.36 54.09 1u6f s GLN 27 Cb -0.17 -1.69 -0.00 0.00 1.10 0.00 0.00 33.01 32.25 1u6f s GLN 27 CO 0.47 0.29 0.50 -0.65 -0.55 0.00 0.00 175.29 175.36 1u6f s GLN 28 N -3.54 3.05 0.41 1.67 -0.21 -1.26 -5.13 119.66 114.65 1u6f s GLN 28 Ca 0.30 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1u6f s GLN 28 Cb -0.04 -2.79 0.08 0.00 1.00 0.00 0.00 33.01 31.26 1u6f s GLN 28 CO 0.14 -0.03 0.56 0.72 -2.12 0.00 0.00 175.29 174.56 1u6f n HIS 29 N -1.72 -3.12 -3.97 0.91 8.25 -1.26 -4.66 115.22 109.66 1u6f n HIS 29 Ca 0.02 -0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 56.08 1u6f n HIS 29 Cb 0.58 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.31 1u6f n HIS 29 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1u6f n ILE 30 N -2.19 -3.29 -1.03 1.59 -5.35 -1.26 -4.86 119.36 102.97 1u6f n ILE 30 Ca 0.09 -0.52 -0.35 0.00 -0.27 0.00 0.00 62.75 61.71 1u6f n ILE 30 Cb 0.33 -2.70 0.09 0.00 -1.74 0.00 0.00 39.64 35.62 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1u6f n PRO 31 N -4.46 0.01 -0.83 6.28 -0.02 -1.26 -4.75 135.00 129.97 1u6f n PRO 31 Ca -0.15 0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 1u6f n PRO 31 Cb 0.59 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 1u6f n PRO 31 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1u6f n PRO 32 N -1.04 1.53 0.00 0.52 -0.04 -1.26 -3.45 135.00 131.26 1u6f n PRO 32 Ca 0.08 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1u6f n PRO 32 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1u6f n PRO 32 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1u6f n THR 33 N 5.20 0.00 -1.92 0.52 -2.24 -1.26 -5.12 114.28 109.46 1u6f n THR 33 Ca 0.43 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.92 1u6f n THR 33 Cb 0.25 -0.32 0.12 0.00 -2.10 0.00 0.00 70.33 68.28 1u6f n THR 33 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1u6f s GLN 34 N -1.75 1.56 -1.72 -0.78 2.00 -1.22 -4.13 119.66 113.62 1u6f s GLN 34 Ca 0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 55.36 53.29 1u6f s GLN 34 Cb 0.00 -1.93 0.00 0.00 0.80 0.00 0.00 33.01 31.89 1u6f s GLN 34 CO 0.00 -1.84 0.16 -0.12 -0.50 0.00 0.00 175.29 172.99 1u6f n MET 35 N -3.44 -2.53 -3.65 1.67 1.56 -1.26 -4.95 117.12 104.51 1u6f n MET 35 Ca 0.10 0.98 -0.38 0.00 -0.27 0.00 0.00 57.70 58.14 1u6f n MET 35 Cb 0.60 -5.69 -0.08 0.00 2.15 0.00 0.00 33.22 30.20 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 -2.23 5.55 -1.16 6.12 3.84 -1.26 -5.02 114.94 120.78 1u6f s ASN 36 Ca 0.08 -2.98 -0.23 0.00 0.21 0.00 0.00 52.86 49.93 1u6f s ASN 36 Cb -0.04 -1.91 -0.10 0.00 -0.55 0.00 0.00 41.25 38.65 1u6f s ASN 36 CO 0.10 -0.36 1.96 -2.16 -2.79 0.00 0.00 177.10 173.85 1u6f s PRO 37 N -0.26 2.31 0.25 0.43 0.04 -1.26 -4.60 135.00 131.91 1u6f s PRO 37 Ca 0.19 -1.02 -0.12 0.00 0.04 0.00 0.00 61.00 60.10 1u6f s PRO 37 Cb -0.17 -5.20 -0.08 0.00 0.04 0.00 0.00 34.50 29.10 1u6f s PRO 37 CO -0.05 -4.17 0.60 -1.21 0.04 0.00 0.00 177.00 172.21 1u6f s GLU 38 N 6.78 3.88 0.42 4.56 2.02 -1.26 -4.99 118.70 130.11 1u6f s GLU 38 Ca 0.70 0.41 0.22 0.00 0.02 0.00 0.00 54.97 56.32 1u6f s GLU 38 Cb -0.02 -2.62 0.87 0.00 0.10 0.00 0.00 34.13 32.47 1u6f s GLU 38 CO 0.13 0.29 1.82 -1.00 0.02 0.00 0.00 175.26 176.52 1u6f h PRO 39 N 2.58 0.00 -0.07 0.39 0.13 -2.02 -3.00 132.00 130.01 1u6f h PRO 39 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1u6f h PRO 39 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1u6f h PRO 39 CO 0.68 0.28 0.05 -0.44 -0.23 0.00 0.00 178.00 178.34 1u6f h ASP 40 N 0.00 0.00 -0.91 1.44 3.32 -1.99 -1.71 116.42 116.57 1u6f h ASP 40 Ca -0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1u6f h ASP 40 Cb 0.76 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.99 1u6f h ASP 40 CO 0.04 0.00 0.43 1.33 -1.72 0.00 0.00 179.24 179.31 1u6f n VAL 41 N -4.35 3.30 -0.00 -1.35 0.24 -1.13 -4.50 118.33 110.53 1u6f n VAL 41 Ca -0.01 -3.13 -0.14 0.00 -2.04 0.00 0.00 64.34 59.02 1u6f n VAL 41 Cb 0.16 -1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 31.33 1u6f n VAL 41 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1u6f h LEU 42 N 1.90 0.19 -0.92 1.34 3.38 -1.46 -3.30 115.31 116.44 1u6f h LEU 42 Ca 0.54 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1u6f h LEU 42 Cb 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1u6f h LEU 42 CO 1.30 1.38 0.00 -2.11 0.09 0.00 0.00 178.44 179.10 1u6f n ARG 43 N -3.25 0.11 -2.32 1.13 1.85 -1.26 -4.51 116.66 108.41 1u6f n ARG 43 Ca -0.23 0.55 -0.42 0.00 -1.00 0.00 0.00 57.85 56.75 1u6f n ARG 43 Cb 1.05 -1.82 -0.03 0.00 -1.05 0.00 0.00 32.46 30.61 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1u6f s ASN 44 N -3.79 6.07 -0.23 2.89 3.04 -1.25 -1.38 114.94 120.28 1u6f s ASN 44 Ca -0.00 0.46 -0.07 0.00 0.04 0.00 0.00 52.86 53.29 1u6f s ASN 44 Cb 0.06 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.20 1u6f s ASN 44 CO 0.19 -1.72 0.05 -0.76 -3.04 0.00 0.00 177.10 171.82 1u6f s LEU 45 N 6.29 3.43 -0.39 3.21 2.01 -0.91 -1.77 118.68 130.54 1u6f s LEU 45 Ca 0.57 -0.18 -0.20 0.00 0.01 0.00 0.00 54.13 54.33 1u6f s LEU 45 Cb -0.12 -1.90 0.01 0.00 0.01 0.00 0.00 46.19 44.18 1u6f s LEU 45 CO 0.26 0.01 0.59 -0.32 1.01 0.00 0.00 176.35 177.90 1u6f s MET 46 N 1.37 3.46 -0.14 1.70 -2.45 0.46 -0.39 119.30 123.31 1u6f s MET 46 Ca 0.05 -0.24 -0.06 0.00 -1.25 0.00 0.00 55.69 54.19 1u6f s MET 46 Cb -0.15 -3.88 -0.04 0.00 1.25 0.00 0.00 34.83 32.02 1u6f s MET 46 CO 0.03 -0.83 0.08 0.14 1.05 0.00 0.00 175.02 175.49 1u6f s VAL 47 N 2.63 5.00 -0.07 10.11 -7.23 0.86 0.64 120.40 132.33 1u6f s VAL 47 Ca 0.21 0.03 -0.21 0.00 -1.81 0.00 0.00 61.98 60.20 1u6f s VAL 47 Cb -0.15 -3.19 0.05 0.00 0.56 0.00 0.00 36.38 33.64 1u6f s VAL 47 CO 0.16 0.55 0.49 0.21 -0.31 0.00 0.00 175.10 176.20 1u6f s ASN 48 N -0.42 -0.44 0.19 4.85 2.47 0.18 0.85 114.94 122.61 1u6f s ASN 48 Ca 0.10 0.55 0.00 0.00 0.42 0.00 0.00 52.86 53.93 1u6f s ASN 48 Cb -0.12 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 1u6f s ASN 48 CO 0.02 -0.44 0.00 0.00 -3.72 0.00 0.00 177.10 172.96 1u6f n TYR 49 N 1.53 -3.04 -3.40 0.43 9.36 -1.26 -2.07 117.16 118.71 1u6f n TYR 49 Ca -0.19 0.64 -0.20 0.00 3.32 0.00 0.00 57.90 61.48 1u6f n TYR 49 Cb 0.56 1.83 -0.02 0.00 -0.63 0.00 0.00 39.34 41.08 1u6f n TYR 49 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 1u6f s ILE 50 N -1.53 2.83 0.00 2.97 -5.25 -1.26 -5.05 121.20 113.90 1u6f s ILE 50 Ca 0.00 -1.23 0.00 0.00 -0.99 0.00 0.00 60.65 58.43 1u6f s ILE 50 Cb 0.00 -3.02 0.00 0.00 2.95 0.00 0.00 42.46 42.39 1u6f s ILE 50 CO 0.00 -0.01 0.00 -0.81 -1.79 0.00 0.00 174.94 172.33 1u6f n PRO 51 N -1.64 0.00 0.00 0.37 -0.04 -1.26 -4.40 135.00 128.03 1u6f n PRO 51 Ca 0.05 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 1u6f n PRO 51 Cb 0.61 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.76 1u6f n PRO 51 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1u6f n THR 52 N 0.00 0.09 0.91 0.52 5.66 -1.26 -3.23 114.28 116.97 1u6f n THR 52 Ca 0.00 0.02 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 1u6f n THR 52 Cb 0.00 -0.56 0.14 0.00 -1.55 0.00 0.00 70.33 68.36 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1u6f n THR 53 N -1.29 0.52 -2.09 1.09 -1.04 -1.26 -4.71 114.28 105.49 1u6f n THR 53 Ca 0.13 -0.43 -0.43 0.00 -2.04 0.00 0.00 64.05 61.28 1u6f n THR 53 Cb 0.23 0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.62 3.67 -0.31 12.58 -7.23 -1.20 -4.89 120.40 121.41 1u6f s VAL 54 Ca 0.20 0.76 -0.02 0.00 -1.81 0.00 0.00 61.98 61.12 1u6f s VAL 54 Cb 0.12 -3.67 0.05 0.00 0.56 0.00 0.00 36.38 33.44 1u6f s VAL 54 CO 0.12 -0.26 0.01 -0.62 -0.31 0.00 0.00 175.10 174.04 1u6f s ASP 55 N 4.21 4.91 0.60 4.85 -1.08 -1.26 -4.92 116.67 123.98 1u6f s ASP 55 Ca 0.72 -1.31 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 1u6f s ASP 55 Cb -0.26 -1.72 1.56 0.00 -1.46 0.00 0.00 42.92 41.05 1u6f s ASP 55 CO 0.29 -0.27 1.96 1.05 0.52 0.00 0.00 175.17 178.72 1u6f h GLU 56 N 8.00 0.00 0.36 4.34 4.11 -1.95 -0.92 114.58 128.53 1u6f h GLU 56 Ca -0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.21 1u6f h GLU 56 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1u6f h GLU 56 CO 0.54 0.00 -0.18 0.28 0.07 0.00 0.00 179.01 179.72 1u6f h VAL 57 N 0.00 0.52 -0.73 -1.06 2.07 -1.96 0.97 116.25 116.05 1u6f h VAL 57 Ca 0.14 -0.64 0.16 0.00 0.82 0.00 0.00 66.70 67.18 1u6f h VAL 57 Cb 0.89 0.77 -0.13 0.00 -1.52 0.00 0.00 31.29 31.30 1u6f h VAL 57 CO -0.00 0.10 -0.08 -0.61 0.02 0.00 0.00 177.57 177.00 1u6f h GLN 58 N -0.91 0.05 0.00 1.57 4.15 -1.59 0.62 115.11 119.01 1u6f h GLN 58 Ca -0.05 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1u6f h GLN 58 Cb 0.54 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1u6f h GLN 58 CO 0.08 0.03 -0.54 1.37 -1.93 0.00 0.00 178.83 177.84 1u6f h LEU 59 N 0.05 0.00 0.22 -2.39 -0.00 -1.52 -2.56 115.31 109.11 1u6f h LEU 59 Ca 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.27 1u6f h LEU 59 Cb 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.27 1u6f h LEU 59 CO -0.70 0.54 -0.28 -0.09 -0.00 0.00 0.00 178.44 177.91 1u6f h ARG 60 N 0.00 -0.54 0.04 0.17 1.12 0.67 1.42 114.38 117.26 1u6f h ARG 60 Ca -0.01 0.04 -0.21 0.00 -1.11 0.00 0.00 59.98 58.70 1u6f h ARG 60 Cb 1.34 0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.44 1u6f h ARG 60 CO 0.07 -0.36 -0.83 1.96 -3.11 0.00 0.00 179.97 177.70 1u6f h GLN 61 N -0.56 0.49 -0.52 0.20 4.20 -1.27 0.03 115.11 117.68 1u6f h GLN 61 Ca 0.01 -0.58 -0.07 0.00 0.06 0.00 0.00 58.65 58.06 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 -0.10 1.22 0.05 1.25 -0.67 0.00 0.00 178.83 180.57 1u6f h LEU 62 N 0.03 0.87 0.00 1.46 7.12 -1.39 -2.21 115.31 121.19 1u6f h LEU 62 Ca -0.11 -0.28 -0.10 0.00 0.13 0.00 0.00 57.88 57.51 1u6f h LEU 62 Cb 1.53 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.42 1u6f h LEU 62 CO 0.16 0.94 -0.55 -0.26 -0.13 0.00 0.00 178.44 178.60 1u6f h PHE 63 N 0.77 0.00 -0.48 1.25 -1.00 0.18 -3.34 116.94 114.33 1u6f h PHE 63 Ca 0.15 0.00 0.14 0.00 2.81 0.00 0.00 57.97 61.07 1u6f h PHE 63 Cb 0.46 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1u6f h PHE 63 CO 0.03 1.17 0.37 1.05 -1.61 0.00 0.00 178.31 179.33 1u6f h GLU 64 N -1.00 0.00 0.19 1.51 4.11 -0.97 -0.56 114.58 117.86 1u6f h GLU 64 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1u6f h GLU 64 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1u6f h GLU 64 CO -0.09 0.00 -0.17 -0.09 0.07 0.00 0.00 179.01 178.73 1u6f h ARG 65 N 0.00 -0.37 0.00 1.06 9.65 -1.51 0.17 114.38 123.38 1u6f h ARG 65 Ca 0.23 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1u6f h ARG 65 Cb 0.97 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1u6f h ARG 65 CO -0.00 -0.25 0.00 0.66 2.80 0.00 0.00 179.97 183.18 1u6f n TYR 66 N -5.29 0.00 -3.04 2.20 4.02 -0.59 -4.63 117.16 109.81 1u6f n TYR 66 Ca -0.08 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.86 1u6f n TYR 66 Cb 0.21 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 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 -2.76 -1.00 -0.11 2.72 0.00 -0.32 -4.71 107.32 101.14 1u6f s GLY 67 Ca 0.20 2.23 -0.40 0.00 0.00 0.00 0.00 44.72 46.74 1u6f s GLY 67 CO 0.43 4.28 1.36 -1.05 0.00 0.00 0.00 173.10 178.13 1u6f n PRO 68 N 4.69 0.57 -2.82 2.90 -0.02 0.49 -3.78 135.00 137.02 1u6f n PRO 68 Ca 0.09 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1u6f n PRO 68 Cb 0.60 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.28 4.27 -0.26 4.25 -4.36 -1.26 -1.17 121.20 123.95 1u6f s ILE 69 Ca 0.93 1.72 -0.05 0.00 -0.26 0.00 0.00 60.65 62.98 1u6f s ILE 69 Cb -1.17 -3.93 -0.15 0.00 1.25 0.00 0.00 42.46 38.45 1u6f s ILE 69 CO 0.59 0.07 -0.26 1.21 0.24 0.00 0.00 174.94 176.80 1u6f n GLU 70 N 0.38 0.63 -3.53 0.37 4.07 0.34 -4.72 120.64 118.19 1u6f n GLU 70 Ca 0.02 0.21 -0.23 0.00 -0.06 0.00 0.00 57.16 57.10 1u6f n GLU 70 Cb 0.51 -1.52 -0.14 0.00 -0.06 0.00 0.00 31.44 30.23 1u6f n GLU 70 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1u6f s SER 71 N -6.94 2.28 -0.11 4.31 0.01 -1.06 -5.03 113.70 107.16 1u6f s SER 71 Ca -0.36 -0.70 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 1u6f s SER 71 Cb 0.11 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 1u6f s SER 71 CO 0.56 -0.37 -0.05 0.54 0.41 0.00 0.00 173.24 174.33 1u6f s VAL 72 N 2.22 3.85 0.14 3.43 0.11 -1.26 -1.23 120.40 127.66 1u6f s VAL 72 Ca 0.06 -0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 58.53 1u6f s VAL 72 Cb -0.16 -2.63 0.05 0.00 -1.53 0.00 0.00 36.38 32.11 1u6f s VAL 72 CO -0.21 0.56 0.48 -0.75 -3.33 0.00 0.00 175.10 171.85 1u6f s LYS 73 N -0.32 1.16 -0.05 1.54 2.20 0.10 -4.99 119.74 119.38 1u6f s LYS 73 Ca 0.05 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1u6f s LYS 73 Cb -0.12 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1u6f s LYS 73 CO 0.02 -0.48 -0.09 0.42 -0.36 0.00 0.00 175.35 174.86 1u6f s ILE 74 N -3.78 3.49 -0.74 5.43 1.01 -1.26 0.23 121.20 125.58 1u6f s ILE 74 Ca 0.02 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 1u6f s ILE 74 Cb 0.01 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1u6f s ILE 74 CO -0.12 0.57 1.22 -0.69 0.00 0.00 0.00 174.94 175.92 1u6f s VAL 75 N -0.81 3.88 0.86 2.92 1.01 0.49 -4.87 120.40 123.87 1u6f s VAL 75 Ca 0.13 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1u6f s VAL 75 Cb -0.11 -4.88 0.11 0.00 0.00 0.00 0.00 36.38 31.50 1u6f s VAL 75 CO 0.02 -1.77 1.15 0.00 0.00 0.00 0.00 175.10 174.49 1u6f s ASP 77 N -4.24 6.88 0.00 0.00 -1.08 -0.24 -4.82 116.67 113.18 1u6f s ASP 77 Ca 0.63 1.09 0.16 0.00 -0.52 0.00 0.00 52.55 53.91 1u6f s ASP 77 Cb -0.13 -2.44 0.70 0.00 -1.46 0.00 0.00 42.92 39.59 1u6f s ASP 77 CO 0.52 -0.44 1.52 -1.14 0.52 0.00 0.00 175.17 176.15 1u6f n ARG 78 N 5.56 0.01 0.00 4.34 0.63 -1.26 0.83 116.66 126.78 1u6f n ARG 78 Ca 0.05 0.21 -0.13 0.00 -0.92 0.00 0.00 57.85 57.06 1u6f n ARG 78 Cb 0.48 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.80 1u6f n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1u6f h GLU 79 N 0.00 -0.06 -0.03 -0.14 4.81 -1.96 -3.36 114.58 113.84 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u6f h GLU 79 Cb 0.27 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1u6f h GLU 79 CO 0.00 0.45 0.00 2.41 -0.73 0.00 0.00 179.01 181.14 1u6f n THR 80 N -4.87 0.26 -2.72 0.32 -1.04 -1.20 -4.99 114.28 100.05 1u6f n THR 80 Ca -0.09 -0.63 -0.21 0.00 -2.04 0.00 0.00 64.05 61.09 1u6f n THR 80 Cb 0.27 0.93 0.01 0.00 -1.82 0.00 0.00 70.33 69.72 1u6f n THR 80 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u6f n ARG 81 N 0.11 -3.17 -4.20 -2.82 5.12 0.24 -4.98 116.66 106.96 1u6f n ARG 81 Ca 0.03 0.89 -0.23 0.00 -1.93 0.00 0.00 57.85 56.61 1u6f n ARG 81 Cb 0.15 -5.64 -0.06 0.00 -1.16 0.00 0.00 32.46 25.75 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 -5.38 2.51 -0.12 5.56 -0.21 -1.16 -4.87 119.66 115.99 1u6f s GLN 82 Ca 0.15 -1.32 -0.29 0.00 0.02 0.00 0.00 55.36 53.92 1u6f s GLN 82 Cb -0.07 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.59 1u6f s GLN 82 CO 0.19 0.34 1.84 -1.12 -2.12 0.00 0.00 175.29 174.42 1u6f s SER 83 N -3.76 6.26 0.00 5.90 0.01 -1.26 -1.07 113.70 119.78 1u6f s SER 83 Ca 0.33 2.08 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1u6f s SER 83 Cb -0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1u6f s SER 83 CO 0.22 -1.28 0.00 -1.14 0.41 0.00 0.00 173.24 171.45 1u6f n ARG 84 N 7.76 0.00 0.00 12.44 0.63 -1.26 -4.18 116.66 132.04 1u6f n ARG 84 Ca 0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1u6f n ARG 84 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1u6f n GLY 85 N 0.00 0.56 3.82 5.14 0.00 -1.20 -4.03 105.19 109.49 1u6f n GLY 85 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 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 0.52 1.61 -0.85 -1.09 -4.62 117.35 112.92 1u6f s TYR 86 Ca 0.00 -0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1u6f s TYR 86 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.98 1u6f s TYR 86 CO 0.00 -0.60 0.16 0.41 -1.52 0.00 0.00 175.55 174.01 1u6f n GLY 87 N -0.66 3.23 3.15 5.49 0.00 0.25 0.19 105.19 116.83 1u6f n GLY 87 Ca -0.03 -2.34 -0.13 0.00 0.00 0.00 0.00 46.02 43.52 1u6f n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u6f s PHE 88 N -2.76 -0.22 -0.18 1.61 0.08 0.64 -0.10 117.98 117.05 1u6f s PHE 88 Ca 0.13 0.52 -0.05 0.00 0.12 0.00 0.00 56.93 57.65 1u6f s PHE 88 Cb -0.01 0.08 0.06 0.00 -0.57 0.00 0.00 43.02 42.58 1u6f s PHE 88 CO 0.08 -0.18 0.09 0.14 -0.10 0.00 0.00 175.22 175.24 1u6f s VAL 89 N -0.24 -0.01 -0.42 -0.44 -7.23 0.47 0.00 120.40 112.53 1u6f s VAL 89 Ca -0.04 -0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 59.67 1u6f s VAL 89 Cb -0.03 -0.65 0.02 0.00 0.56 0.00 0.00 36.38 36.28 1u6f s VAL 89 CO 0.01 -0.30 0.75 -0.75 -0.31 0.00 0.00 175.10 174.50 1u6f s LYS 90 N 2.10 3.48 0.62 4.82 2.20 -0.37 -2.14 119.74 130.45 1u6f s LYS 90 Ca 0.02 -0.05 -0.16 0.00 -0.36 0.00 0.00 55.97 55.42 1u6f s LYS 90 Cb -0.16 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 1u6f s LYS 90 CO -0.10 -1.01 1.09 -0.06 -0.36 0.00 0.00 175.35 174.90 1u6f s PHE 91 N 3.13 2.80 0.16 4.03 0.40 -0.48 0.13 117.98 128.14 1u6f s PHE 91 Ca 0.29 1.53 -0.19 0.00 -0.60 0.00 0.00 56.93 57.95 1u6f s PHE 91 Cb -0.13 -3.10 0.07 0.00 0.51 0.00 0.00 43.02 40.37 1u6f s PHE 91 CO 0.20 -1.40 1.65 1.96 0.70 0.00 0.00 175.22 178.34 1u6f h GLN 92 N 0.35 -0.11 -5.60 0.44 4.20 -1.43 -3.41 115.11 109.56 1u6f h GLN 92 Ca -0.47 0.01 -0.46 0.00 0.06 0.00 0.00 58.65 57.79 1u6f h GLN 92 Cb 1.23 0.02 -0.22 0.00 0.30 0.00 0.00 27.48 28.82 1u6f h GLN 92 CO 0.56 -0.07 -0.79 -1.12 -0.67 0.00 0.00 178.83 176.73 1u6f s SER 93 N -5.13 1.94 0.55 1.46 0.01 -1.26 -4.96 113.70 106.30 1u6f s SER 93 Ca -0.14 -0.63 0.27 0.00 1.31 0.00 0.00 55.95 56.75 1u6f s SER 93 Cb 0.13 -0.08 1.46 0.00 0.21 0.00 0.00 66.02 67.74 1u6f s SER 93 CO 0.70 -0.03 1.98 1.23 0.41 0.00 0.00 173.24 177.52 1u6f h GLY 94 N 4.24 0.00 2.00 3.44 0.00 -1.86 0.30 103.07 111.19 1u6f h GLY 94 Ca -0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1u6f h GLY 94 CO 0.40 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 177.17 1u6f h SER 95 N 0.00 0.00 0.95 0.19 0.87 -1.95 -0.16 113.55 113.44 1u6f h SER 95 Ca 0.24 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.59 1u6f h SER 95 Cb 1.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1u6f h SER 95 CO -0.00 0.00 -1.00 0.28 -0.53 0.00 0.00 176.83 175.58 1u6f h SER 96 N 0.00 0.04 -0.55 6.23 0.02 -0.77 -3.29 113.55 115.23 1u6f h SER 96 Ca -0.00 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1u6f h SER 96 Cb 0.02 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1u6f h SER 96 CO 0.00 1.01 0.35 0.00 -1.14 0.00 0.00 176.83 177.05 1u6f h ALA 97 N 0.98 0.70 -0.88 3.77 0.00 -1.07 -0.10 119.26 122.66 1u6f h ALA 97 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1u6f h ALA 97 Cb 1.75 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1u6f h ALA 97 CO 0.13 0.10 0.47 1.96 0.00 0.00 0.00 179.25 181.91 1u6f h GLN 98 N 0.71 0.64 0.00 0.00 4.20 -1.62 0.63 115.11 119.67 1u6f h GLN 98 Ca 0.21 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 1u6f h GLN 98 Cb -0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1u6f h GLN 98 CO -0.07 0.42 -0.69 1.96 -0.67 0.00 0.00 178.83 179.79 1u6f h GLN 99 N 0.66 0.00 0.27 1.46 1.08 -1.52 -1.76 115.11 115.30 1u6f h GLN 99 Ca 0.48 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.67 1u6f h GLN 99 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1u6f h GLN 99 CO -0.36 0.69 -0.13 0.00 -0.95 0.00 0.00 178.83 178.08 1u6f h ALA 100 N 1.31 -0.36 0.00 3.87 0.00 0.14 -1.58 119.26 122.64 1u6f h ALA 100 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1u6f h ALA 100 Cb 1.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1u6f h ALA 100 CO 0.09 -0.44 -0.07 0.82 0.00 0.00 0.00 179.25 179.64 1u6f h ILE 101 N -0.88 0.70 -0.04 0.00 2.04 0.00 0.89 117.51 120.23 1u6f h ILE 101 Ca -0.04 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 1u6f h ILE 101 Cb 0.51 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1u6f h ILE 101 CO 0.06 0.07 -0.32 0.00 0.00 0.00 0.00 178.15 177.97 1u6f h ALA 102 N 1.93 0.09 0.00 1.87 0.00 -1.26 -3.31 119.26 118.58 1u6f h ALA 102 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1u6f h ALA 102 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1u6f h ALA 102 CO 0.01 0.16 -0.43 0.41 0.00 0.00 0.00 179.25 179.40 1u6f n GLY 103 N 0.84 4.00 0.00 0.00 0.00 -0.60 -4.76 105.19 104.67 1u6f n GLY 103 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.87 0.10 -4.67 0.99 4.77 0.31 -4.86 117.00 112.77 1u6f n LEU 104 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 1u6f n LEU 104 Cb 0.74 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1u6f n LEU 104 CO -0.02 0.02 1.50 0.21 -1.33 0.00 0.00 177.39 177.77 1u6f s ASN 105 N -1.69 6.51 -0.30 -1.43 2.47 -1.04 -1.03 114.94 118.43 1u6f s ASN 105 Ca 0.00 2.56 0.00 0.00 0.42 0.00 0.00 52.86 55.84 1u6f s ASN 105 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1u6f s ASN 105 CO 0.00 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 172.99 1u6f n GLY 106 N 4.35 0.46 3.46 1.21 0.00 0.29 -4.83 105.19 110.14 1u6f n GLY 106 Ca 0.19 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.46 0.39 -2.27 1.61 7.35 -0.20 -4.43 117.46 117.45 1u6f n PHE 107 Ca -0.03 -0.02 -0.36 0.00 -0.76 0.00 0.00 57.45 56.28 1u6f n PHE 107 Cb 0.32 -1.23 -0.03 0.00 0.35 0.00 0.00 39.48 38.89 1u6f n PHE 107 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1u6f n ASN 108 N 10.04 3.99 -4.85 -2.13 0.23 -1.26 -0.46 115.26 120.81 1u6f n ASN 108 Ca 0.53 -2.81 -0.31 0.00 -0.53 0.00 0.00 54.58 51.46 1u6f n ASN 108 Cb 0.28 -1.72 0.03 0.00 -2.08 0.00 0.00 39.78 36.29 1u6f n ASN 108 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1u6f s ILE 109 N 7.30 4.20 0.59 1.53 2.07 0.30 -4.91 121.20 132.28 1u6f s ILE 109 Ca 0.60 0.71 0.29 0.00 -1.41 0.00 0.00 60.65 60.85 1u6f s ILE 109 Cb 0.03 -3.62 0.39 0.00 0.13 0.00 0.00 42.46 39.39 1u6f s ILE 109 CO 0.10 -0.93 1.83 0.25 -1.91 0.00 0.00 174.94 174.28 1u6f h LEU 110 N -0.54 0.00 0.01 8.50 6.46 -2.04 -2.74 115.31 124.95 1u6f h LEU 110 Ca -0.44 0.00 -0.40 0.00 -0.12 0.00 0.00 57.88 56.92 1u6f h LEU 110 Cb 1.21 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 1u6f h LEU 110 CO 0.61 0.00 -2.23 0.59 -0.62 0.00 0.00 178.44 176.79 1u6f n ASN 111 N -3.65 1.95 -1.61 1.25 3.02 -1.26 -5.08 115.26 109.87 1u6f n ASN 111 Ca 0.10 0.30 -0.05 0.00 -0.03 0.00 0.00 54.58 54.90 1u6f n ASN 111 Cb 0.78 -0.81 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1u6f n LYS 112 N -4.14 0.15 -3.96 3.52 4.01 -1.03 -5.15 118.16 111.55 1u6f n LYS 112 Ca -0.48 -0.90 -0.30 0.00 -0.51 0.00 0.00 58.31 56.13 1u6f n LYS 112 Cb 0.86 0.78 -0.16 0.00 -0.51 0.00 0.00 35.03 36.00 1u6f n LYS 112 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1u6f s ARG 113 N -2.33 1.81 -0.99 1.97 3.52 -1.26 0.11 118.95 121.79 1u6f s ARG 113 Ca 0.10 -0.74 -0.23 0.00 -0.13 0.00 0.00 55.73 54.73 1u6f s ARG 113 Cb 0.00 -2.29 0.05 0.00 -1.56 0.00 0.00 34.95 31.15 1u6f s ARG 113 CO 0.07 -0.44 1.42 -0.51 -0.81 0.00 0.00 175.30 175.03 1u6f s LEU 114 N 1.47 3.55 -0.26 -0.88 1.43 0.39 -4.56 118.68 119.83 1u6f s LEU 114 Ca -0.01 -1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 51.42 1u6f s LEU 114 Cb -0.16 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.51 1u6f s LEU 114 CO -0.08 -1.52 1.02 -0.75 0.23 0.00 0.00 176.35 175.25 1u6f s LYS 115 N 4.93 4.20 -0.13 1.70 2.20 -0.88 0.10 119.74 131.86 1u6f s LYS 115 Ca 0.44 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 57.29 1u6f s LYS 115 Cb -0.01 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1u6f s LYS 115 CO -0.08 -0.69 -0.18 0.08 -0.36 0.00 0.00 175.35 174.13 1u6f s VAL 116 N 3.27 1.74 -0.05 4.02 1.01 -1.25 -0.65 120.40 128.49 1u6f s VAL 116 Ca 0.43 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1u6f s VAL 116 Cb -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1u6f s VAL 116 CO 0.09 0.49 -0.13 0.00 0.00 0.00 0.00 175.10 175.55 1u6f s ALA 117 N 1.06 1.23 0.18 5.51 0.00 0.21 -4.71 121.76 125.25 1u6f s ALA 117 Ca -0.03 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 1u6f s ALA 117 Cb -0.14 -0.49 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 1u6f s ALA 117 CO -0.05 0.16 1.51 -0.51 0.00 0.00 0.00 175.76 176.88 1u6f s LEU 118 N 0.39 4.37 -0.00 0.00 2.01 -1.26 0.17 118.68 124.37 1u6f s LEU 118 Ca -0.09 2.60 -0.01 0.00 0.01 0.00 0.00 54.13 56.65 1u6f s LEU 118 Cb -0.13 -3.60 -0.00 0.00 0.01 0.00 0.00 46.19 42.47 1u6f s LEU 118 CO 0.03 -0.77 0.30 0.00 1.01 0.00 0.00 176.35 176.91 1u6f h ALA 119 N 6.29 -0.30 -2.45 4.21 0.00 -1.61 -3.46 119.26 121.95 1u6f h ALA 119 Ca -0.43 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 54.72 1u6f h ALA 119 Cb 1.21 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1u6f h ALA 119 CO 0.87 -0.30 -0.86 0.00 0.00 0.00 0.00 179.25 178.96 1u6f n ALA 120 N -2.04 -2.66 -0.56 0.00 0.00 -1.24 -4.71 120.51 109.30 1u6f n ALA 120 Ca -0.00 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1u6f n ALA 120 Cb 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1u6f n ALA 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u6f n SER 121 N -3.67 0.00 0.00 0.00 7.64 -1.26 -4.80 113.62 111.53 1u6f n SER 121 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1u6f n SER 121 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 -0.20 3.67 0.23 0.00 -1.26 -5.13 105.19 102.50 1u6f n GLY 122 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 0.84 0.00 1.61 8.25 -1.26 -5.01 115.22 119.64 1u6f n HIS 123 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1u6f n HIS 123 Cb 0.00 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.11 1u6f n HIS 123 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1u6f n GLN 124 N -4.26 0.00 -3.90 -0.41 3.00 -1.26 -4.89 117.38 105.65 1u6f n GLN 124 Ca 0.12 0.12 -0.33 0.00 -0.01 0.00 0.00 57.00 56.90 1u6f n GLN 124 Cb 0.52 -0.57 -0.13 0.00 0.00 0.00 0.00 30.24 30.06 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1u6f s ARG 125 N -0.85 1.86 0.41 -1.09 3.00 -1.26 -4.95 118.95 116.07 1u6f s ARG 125 Ca 0.00 -2.10 0.19 0.00 0.00 0.00 0.00 55.73 53.81 1u6f s ARG 125 Cb 0.00 -3.40 0.91 0.00 0.00 0.00 0.00 34.95 32.46 1u6f s ARG 125 CO 0.00 -1.04 1.87 -1.00 0.00 0.00 0.00 175.30 175.13 1u6f h PRO 126 N 7.42 0.00 -0.31 3.54 0.13 -2.00 -3.47 132.00 137.31 1u6f h PRO 126 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1u6f h PRO 126 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1u6f h PRO 126 CO 0.63 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 1u6f n GLY 127 N -0.31 0.78 0.98 1.56 0.00 -1.26 -5.05 105.19 101.90 1u6f n GLY 127 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1u6f n GLY 127 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1u6f n ILE 128 N -0.12 0.00 -2.66 -0.61 -6.64 -1.26 -5.02 119.36 103.05 1u6f n ILE 128 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 1u6f n ILE 128 Cb 0.05 -0.03 0.00 0.00 -1.44 0.00 0.00 39.64 38.22 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1u6f n ALA 129 N -1.99 3.83 0.00 -1.28 0.00 -1.26 -4.87 120.51 114.94 1u6f n ALA 129 Ca 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1u6f n ALA 129 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.06 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 4.79 -0.94 3.37 0.00 0.00 -1.26 -5.05 105.19 106.09 1u6f n GLY 130 Ca 0.45 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.00 -1.21 0.75 4.61 0.00 -1.26 -5.02 121.76 117.63 1u6f s ALA 131 Ca 0.00 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 1u6f s ALA 131 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1u6f s ALA 131 CO 0.00 -0.29 1.12 0.14 0.00 0.00 0.00 175.76 176.74 1u6f s VAL 132 N -0.83 3.01 -0.14 0.00 -7.23 -1.26 -5.02 120.40 108.94 1u6f s VAL 132 Ca -0.09 0.33 0.11 0.00 -1.81 0.00 0.00 61.98 60.52 1u6f s VAL 132 Cb -0.03 -3.30 -0.23 0.00 0.56 0.00 0.00 36.38 33.37 1u6f s VAL 132 CO 0.05 -0.43 0.29 0.61 -0.31 0.00 0.00 175.10 175.31 1u6f n GLY 133 N -3.02 -0.86 0.73 2.32 0.00 -1.26 -5.00 105.19 98.09 1u6f n GLY 133 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1u6f n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u6f n ASP 134 N -3.01 -0.65 0.00 1.61 -0.08 -1.26 -5.10 116.55 108.05 1u6f n ASP 134 Ca -0.29 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1u6f n ASP 134 Cb 1.08 0.84 0.00 0.00 2.34 0.00 0.00 41.12 45.38 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u6f n GLY 135 N -1.36 -1.25 3.73 0.27 0.00 -1.26 -5.11 105.19 100.21 1u6f n GLY 135 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 46.02 46.42 1u6f n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u6f s ASN 136 N -0.81 -0.17 0.00 1.61 3.04 -1.26 -5.13 114.94 112.22 1u6f s ASN 136 Ca 0.00 -0.77 0.00 0.00 0.04 0.00 0.00 52.86 52.13 1u6f s ASN 136 Cb 0.00 0.66 0.00 0.00 -1.54 0.00 0.00 41.25 40.37 1u6f s ASN 136 CO 0.00 -1.25 0.00 0.61 -3.04 0.00 0.00 177.10 173.42 1u6f n GLY 137 N -0.42 -0.43 5.00 1.21 0.00 -1.26 -5.06 105.19 104.23 1u6f n GLY 137 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1u6f n GLY 137 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u6f n TYR 138 N 0.00 0.00 -0.40 1.61 9.36 -1.26 -5.32 117.16 121.14 1u6f n TYR 138 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1u6f n TYR 138 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1u6f n TYR 138 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55