#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 4.16 0.26 6.12 0.01 -1.26 -5.10 113.70 117.89 1u6f s SER 2 Ca 0.00 -1.69 -0.16 0.00 1.31 0.00 0.00 55.95 55.41 1u6f s SER 2 Cb 0.00 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.14 1u6f s SER 2 CO 0.00 -0.38 0.57 -1.10 0.41 0.00 0.00 173.24 172.74 1u6f s GLN 3 N 1.41 1.63 -0.55 12.44 -0.21 -1.26 -5.11 119.66 128.02 1u6f s GLN 3 Ca 0.08 -1.14 0.07 0.00 0.02 0.00 0.00 55.36 54.38 1u6f s GLN 3 Cb -0.18 0.52 0.25 0.00 1.00 0.00 0.00 33.01 34.60 1u6f s GLN 3 CO -0.18 -0.71 0.66 0.44 -2.12 0.00 0.00 175.29 173.38 1u6f n ILE 4 N -0.41 1.21 -0.91 1.08 -5.35 -1.26 -5.00 119.36 108.71 1u6f n ILE 4 Ca -0.03 -4.76 -0.30 0.00 -0.27 0.00 0.00 62.75 57.40 1u6f n ILE 4 Cb 0.61 -2.05 -0.03 0.00 -1.74 0.00 0.00 39.64 36.43 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 1.10 1.97 -2.48 6.28 -0.04 -1.26 -4.13 135.00 136.45 1u6f n PRO 5 Ca 0.27 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1u6f n PRO 5 Cb 0.45 -2.63 0.05 0.00 -0.04 0.00 0.00 33.50 31.33 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 5.27 0.87 -4.48 1.53 4.77 -1.26 -5.07 117.00 118.63 1u6f n LEU 6 Ca 0.47 -2.82 -0.40 0.00 -0.03 0.00 0.00 56.01 53.24 1u6f n LEU 6 Cb 0.23 0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 1u6f n LEU 6 CO 0.82 1.06 -0.16 0.68 -1.33 0.00 0.00 177.39 178.46 1u6f s VAL 7 N -2.32 4.95 0.85 4.08 -7.23 -1.26 -5.09 120.40 114.38 1u6f s VAL 7 Ca 0.24 -0.37 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 1u6f s VAL 7 Cb 0.34 -3.56 0.13 0.00 0.56 0.00 0.00 36.38 33.85 1u6f s VAL 7 CO -0.08 -0.01 1.20 -0.44 -0.31 0.00 0.00 175.10 175.47 1u6f s SER 8 N 1.66 3.94 -0.16 4.85 0.01 -1.26 -5.04 113.70 117.71 1u6f s SER 8 Ca 0.05 0.41 -0.21 0.00 1.31 0.00 0.00 55.95 57.51 1u6f s SER 8 Cb -0.17 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 1u6f s SER 8 CO 0.08 -2.21 0.64 -1.58 0.41 0.00 0.00 173.24 170.58 1u6f s GLN 9 N -5.63 4.28 -0.22 12.44 2.00 -1.26 -4.63 119.66 126.64 1u6f s GLN 9 Ca 0.67 0.68 -0.08 0.00 -2.00 0.00 0.00 55.36 54.63 1u6f s GLN 9 Cb -0.07 -3.53 0.03 0.00 0.80 0.00 0.00 33.01 30.23 1u6f s GLN 9 CO 0.50 -0.14 0.17 0.66 -0.50 0.00 0.00 175.29 175.97 1u6f n TYR 10 N 4.65 -4.26 -3.40 1.67 4.02 -1.26 -4.94 117.16 113.63 1u6f n TYR 10 Ca -0.02 2.30 -0.45 0.00 -0.01 0.00 0.00 57.90 59.73 1u6f n TYR 10 Cb 0.50 -3.92 -0.04 0.00 -0.02 0.00 0.00 39.34 35.86 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1u6f s ASP 11 N -0.96 6.30 0.42 7.72 1.01 -1.26 -4.91 116.67 125.00 1u6f s ASP 11 Ca -0.19 -2.41 0.19 0.00 0.71 0.00 0.00 52.55 50.85 1u6f s ASP 11 Cb 0.01 -2.14 0.95 0.00 1.01 0.00 0.00 42.92 42.76 1u6f s ASP 11 CO 0.78 -0.63 1.89 1.55 0.21 0.00 0.00 175.17 178.97 1u6f h PRO 12 N 8.02 0.00 -5.97 8.23 0.13 -2.00 -3.40 132.00 137.01 1u6f h PRO 12 Ca -0.04 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.63 1u6f h PRO 12 Cb 1.05 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1u6f h PRO 12 CO 0.83 0.28 1.13 0.71 -0.23 0.00 0.00 178.00 180.72 1u6f s TYR 13 N -4.04 2.09 0.00 1.56 2.02 -1.26 -4.01 117.35 113.71 1u6f s TYR 13 Ca -0.02 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1u6f s TYR 13 Cb 0.13 -4.35 0.00 0.00 -0.40 0.00 0.00 41.96 37.34 1u6f s TYR 13 CO 0.67 -1.94 0.00 0.41 -1.57 0.00 0.00 175.55 173.12 1u6f n GLY 14 N 6.50 0.00 1.07 0.71 0.00 -1.26 -5.07 105.19 107.14 1u6f n GLY 14 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1u6f n GLY 14 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u6f n GLN 15 N 0.00 0.00 -1.73 1.61 6.02 -1.26 -5.09 117.38 116.93 1u6f n GLN 15 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1u6f n GLN 15 Cb 0.00 -0.33 0.02 0.00 1.02 0.00 0.00 30.24 30.95 1u6f n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1u6f n THR 16 N -2.31 2.90 0.00 5.09 -1.04 -1.26 -4.91 114.28 112.74 1u6f n THR 16 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1u6f n THR 16 Cb 0.14 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 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 -0.38 2.69 -3.64 2.41 0.00 -1.26 -5.12 120.51 115.21 1u6f n ALA 17 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1u6f n ALA 17 Cb 0.41 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.78 0.43 -0.03 0.00 -1.52 -1.26 -5.07 119.66 110.43 1u6f s GLN 18 Ca 0.00 0.58 -0.23 0.00 -1.95 0.00 0.00 55.36 53.76 1u6f s GLN 18 Cb 0.00 0.17 -0.17 0.00 -0.22 0.00 0.00 33.01 32.79 1u6f s GLN 18 CO 0.00 -0.06 1.06 -0.07 -0.25 0.00 0.00 175.29 175.97 1u6f h LEU 19 N 4.81 -0.19 -2.42 2.90 4.07 -2.04 -3.48 115.31 118.96 1u6f h LEU 19 Ca -0.28 -0.34 -0.13 0.00 0.08 0.00 0.00 57.88 57.21 1u6f h LEU 19 Cb 1.18 0.05 0.10 0.00 1.08 0.00 0.00 40.66 43.08 1u6f h LEU 19 CO 0.14 0.30 -0.45 1.67 -1.08 0.00 0.00 178.44 179.02 1u6f n GLN 20 N -4.97 -1.79 -3.94 1.13 -0.06 -1.26 -5.00 117.38 101.49 1u6f n GLN 20 Ca -0.08 1.15 -0.35 0.00 -2.00 0.00 0.00 57.00 55.72 1u6f n GLN 20 Cb 0.26 -5.74 -0.13 0.00 -4.06 0.00 0.00 30.24 20.57 1u6f n GLN 20 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1u6f s GLN 21 N -3.73 3.47 0.05 3.69 -0.21 -1.26 -5.10 119.66 116.57 1u6f s GLN 21 Ca 0.24 -0.58 0.03 0.00 0.02 0.00 0.00 55.36 55.07 1u6f s GLN 21 Cb -0.03 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 1u6f s GLN 21 CO 0.73 -0.14 0.01 -0.48 -2.12 0.00 0.00 175.29 173.29 1u6f s LEU 22 N 1.37 3.53 0.30 2.90 2.34 -1.26 -4.97 118.68 122.89 1u6f s LEU 22 Ca 0.04 -0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.16 1u6f s LEU 22 Cb -0.14 -2.15 0.00 0.00 -0.56 0.00 0.00 46.19 43.33 1u6f s LEU 22 CO -0.01 0.22 0.00 0.00 -1.06 0.00 0.00 176.35 175.50 1u6f n GLN 23 N 0.93 0.00 -2.56 1.48 1.13 -1.26 -5.03 117.38 112.06 1u6f n GLN 23 Ca -0.12 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.73 1u6f n GLN 23 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.88 1u6f n GLN 23 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1u6f n GLN 24 N -3.14 -2.52 -0.71 -1.09 6.02 -1.26 -4.71 117.38 109.97 1u6f n GLN 24 Ca 0.00 0.96 0.10 0.00 -0.01 0.00 0.00 57.00 58.04 1u6f n GLN 24 Cb 0.00 -5.63 -0.02 0.00 1.02 0.00 0.00 30.24 25.60 1u6f n GLN 24 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u6f n GLN 25 N -3.23 -1.42 -4.08 -1.09 6.02 -1.26 -4.74 117.38 107.58 1u6f n GLN 25 Ca -0.20 0.94 -0.32 0.00 -0.01 0.00 0.00 57.00 57.40 1u6f n GLN 25 Cb 0.66 -1.74 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 1u6f n GLN 25 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u6f s GLN 26 N -1.11 2.50 -0.29 -1.09 0.74 -1.26 -5.08 119.66 114.07 1u6f s GLN 26 Ca 0.00 -1.17 0.03 0.00 0.05 0.00 0.00 55.36 54.26 1u6f s GLN 26 Cb 0.00 -2.80 0.08 0.00 1.10 0.00 0.00 33.01 31.39 1u6f s GLN 26 CO 0.00 -0.45 -0.02 -0.65 -0.55 0.00 0.00 175.29 173.61 1u6f s GLN 27 N 1.17 1.74 0.00 1.67 -1.52 -1.26 -4.95 119.66 116.50 1u6f s GLN 27 Ca -0.04 -1.48 0.00 0.00 -1.95 0.00 0.00 55.36 51.89 1u6f s GLN 27 Cb -0.18 -2.90 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1u6f s GLN 27 CO -0.07 -0.75 0.00 1.04 -0.25 0.00 0.00 175.29 175.26 1u6f n GLN 28 N 4.43 0.00 -1.61 2.91 6.02 -1.26 -4.87 117.38 123.00 1u6f n GLN 28 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1u6f n GLN 28 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1u6f n GLN 28 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1u6f n HIS 29 N 0.00 -4.21 -3.18 1.08 -0.00 -1.26 -4.98 115.22 102.67 1u6f n HIS 29 Ca 0.00 2.20 -0.21 0.00 0.46 0.00 0.00 57.72 60.17 1u6f n HIS 29 Cb 0.00 -3.41 -0.05 0.00 -0.12 0.00 0.00 29.99 26.41 1u6f n HIS 29 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1u6f n ILE 30 N 0.14 -0.06 -0.97 3.57 5.41 -1.26 -5.13 119.36 121.06 1u6f n ILE 30 Ca 0.00 -4.47 -0.31 0.00 1.00 0.00 0.00 62.75 58.97 1u6f n ILE 30 Cb 0.00 -1.01 0.13 0.00 -0.71 0.00 0.00 39.64 38.05 1u6f n ILE 30 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1u6f s PRO 31 N -2.05 1.57 -0.86 0.38 0.02 -1.26 -4.80 135.00 128.01 1u6f s PRO 31 Ca 0.39 1.44 -0.23 0.00 0.02 0.00 0.00 61.00 62.62 1u6f s PRO 31 Cb 0.27 -1.80 -0.18 0.00 0.02 0.00 0.00 34.50 32.81 1u6f s PRO 31 CO -0.09 -2.20 2.20 -2.30 -0.33 0.00 0.00 177.00 174.28 1u6f n PRO 32 N -3.82 0.31 -4.41 5.54 -0.02 -1.26 -4.85 135.00 126.49 1u6f n PRO 32 Ca 0.11 -1.00 -0.20 0.00 -2.02 0.00 0.00 63.50 60.39 1u6f n PRO 32 Cb 0.52 -3.34 -0.10 0.00 -0.02 0.00 0.00 33.50 30.56 1u6f n PRO 32 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1u6f s THR 33 N 13.30 1.01 -0.17 3.45 -1.32 -1.26 -5.01 115.64 125.65 1u6f s THR 33 Ca 0.87 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 59.30 1u6f s THR 33 Cb -0.17 -2.73 0.02 0.00 -1.51 0.00 0.00 72.50 68.11 1u6f s THR 33 CO 0.16 -0.02 0.11 1.67 -2.21 0.00 0.00 174.62 174.33 1u6f n GLN 34 N -0.61 -2.95 -0.08 7.08 7.27 -1.26 -5.00 117.38 121.83 1u6f n GLN 34 Ca -0.02 2.41 -0.07 0.00 0.07 0.00 0.00 57.00 59.39 1u6f n GLN 34 Cb 0.66 -3.97 -0.14 0.00 2.41 0.00 0.00 30.24 29.20 1u6f n GLN 34 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1u6f n MET 35 N 0.91 1.03 -2.76 3.69 2.81 -1.26 -5.06 117.12 116.47 1u6f n MET 35 Ca -0.18 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.64 1u6f n MET 35 Cb 0.28 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.33 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1u6f n ASN 36 N -2.62 -7.20 -4.52 7.83 3.02 -1.26 -4.75 115.26 105.77 1u6f n ASN 36 Ca -0.27 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 1u6f n ASN 36 Cb 1.03 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1u6f n PRO 37 N -0.87 0.27 -2.74 3.52 -0.02 -1.26 -4.90 135.00 129.00 1u6f n PRO 37 Ca 0.06 -1.07 -0.41 0.00 -2.02 0.00 0.00 63.50 60.07 1u6f n PRO 37 Cb 0.44 -3.36 -0.05 0.00 -0.02 0.00 0.00 33.50 30.52 1u6f n PRO 37 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1u6f s GLU 38 N 8.30 4.74 0.30 -0.52 2.02 -1.26 -4.96 118.70 127.32 1u6f s GLU 38 Ca 0.84 1.46 0.15 0.00 0.02 0.00 0.00 54.97 57.44 1u6f s GLU 38 Cb -0.15 -3.35 0.34 0.00 0.10 0.00 0.00 34.13 31.08 1u6f s GLU 38 CO 0.16 0.30 1.57 -1.00 0.02 0.00 0.00 175.26 176.32 1u6f h PRO 39 N 5.16 0.00 0.00 0.39 0.13 -2.01 -3.15 132.00 132.51 1u6f h PRO 39 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1u6f h PRO 39 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1u6f h PRO 39 CO 0.71 0.54 -0.22 0.22 -0.23 0.00 0.00 178.00 179.02 1u6f h ASP 40 N 0.00 0.00 -0.87 1.44 1.82 -1.99 -2.31 116.42 114.52 1u6f h ASP 40 Ca -0.01 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.21 1u6f h ASP 40 Cb 1.18 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 40.94 1u6f h ASP 40 CO 0.07 0.22 0.49 1.33 -1.61 0.00 0.00 179.24 179.75 1u6f n VAL 41 N -4.14 3.07 0.01 2.25 0.24 -1.19 -4.38 118.33 114.19 1u6f n VAL 41 Ca -0.02 -2.01 -0.12 0.00 -2.04 0.00 0.00 64.34 60.15 1u6f n VAL 41 Cb 0.29 -0.43 -0.14 0.00 -1.47 0.00 0.00 33.84 32.09 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 1.22 0.14 -0.59 1.34 3.38 -1.51 -3.32 115.31 115.98 1u6f h LEU 42 Ca 0.53 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1u6f h LEU 42 Cb 2.62 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.32 1u6f h LEU 42 CO 0.95 1.23 0.00 -2.11 0.09 0.00 0.00 178.44 178.60 1u6f n ARG 43 N -3.22 0.10 -2.33 1.13 1.85 -1.26 -4.55 116.66 108.37 1u6f n ARG 43 Ca -0.18 0.46 -0.42 0.00 -1.00 0.00 0.00 57.85 56.71 1u6f n ARG 43 Cb 1.04 -1.73 -0.03 0.00 -1.05 0.00 0.00 32.46 30.69 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 -3.65 6.07 -0.21 2.89 3.04 -1.25 -1.48 114.94 120.35 1u6f s ASN 44 Ca 0.02 0.44 -0.04 0.00 0.04 0.00 0.00 52.86 53.32 1u6f s ASN 44 Cb 0.07 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.22 1u6f s ASN 44 CO 0.23 -1.72 -0.03 -0.76 -3.04 0.00 0.00 177.10 171.78 1u6f s LEU 45 N 6.27 2.99 -0.45 3.21 2.01 -0.91 -1.77 118.68 130.03 1u6f s LEU 45 Ca 0.57 -0.34 -0.21 0.00 0.01 0.00 0.00 54.13 54.15 1u6f s LEU 45 Cb -0.12 -1.76 0.03 0.00 0.01 0.00 0.00 46.19 44.34 1u6f s LEU 45 CO 0.26 0.00 0.69 -0.32 1.01 0.00 0.00 176.35 177.99 1u6f s MET 46 N 1.34 3.31 -0.15 1.70 -2.45 0.44 -0.45 119.30 123.04 1u6f s MET 46 Ca 0.04 -0.32 -0.06 0.00 -1.25 0.00 0.00 55.69 54.10 1u6f s MET 46 Cb -0.14 -3.95 -0.04 0.00 1.25 0.00 0.00 34.83 31.94 1u6f s MET 46 CO -0.01 -1.06 0.06 0.14 1.05 0.00 0.00 175.02 175.20 1u6f s VAL 47 N 2.96 4.80 -0.03 10.11 -7.23 -0.01 0.22 120.40 131.22 1u6f s VAL 47 Ca 0.24 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.40 1u6f s VAL 47 Cb -0.14 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1u6f s VAL 47 CO 0.20 0.51 -0.10 0.21 -0.31 0.00 0.00 175.10 175.61 1u6f s ASN 48 N -0.07 1.39 0.33 4.85 3.84 0.16 0.13 114.94 125.57 1u6f s ASN 48 Ca 0.07 -0.22 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1u6f s ASN 48 Cb -0.12 -0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.16 1u6f s ASN 48 CO 0.01 0.07 0.00 0.00 -2.79 0.00 0.00 177.10 174.39 1u6f n TYR 49 N 3.37 -4.02 -4.02 0.43 4.19 -1.26 -0.97 117.16 114.87 1u6f n TYR 49 Ca -0.19 1.15 -0.31 0.00 3.31 0.00 0.00 57.90 61.85 1u6f n TYR 49 Cb 0.54 2.98 -0.06 0.00 0.49 0.00 0.00 39.34 43.29 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 -4.81 121.20 121.95 1u6f s ILE 50 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1u6f s ILE 50 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 1u6f s ILE 50 CO 0.00 0.19 0.00 -0.81 0.00 0.00 0.00 174.94 174.32 1u6f n PRO 51 N 0.62 0.00 0.19 2.79 -0.04 -1.26 -4.11 135.00 133.19 1u6f n PRO 51 Ca -0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1u6f n PRO 51 Cb 0.52 -0.03 0.31 0.00 -0.04 0.00 0.00 33.50 34.25 1u6f n PRO 51 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1u6f h THR 52 N 0.00 0.00 -0.60 0.52 2.02 -1.95 -3.15 112.91 109.75 1u6f h THR 52 Ca 0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1u6f h THR 52 Cb 0.00 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1u6f h THR 52 CO 0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 1u6f n THR 53 N -2.82 1.75 -2.02 3.16 -2.24 -1.26 -4.85 114.28 106.00 1u6f n THR 53 Ca 0.04 -1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 60.29 1u6f n THR 53 Cb 0.46 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6f s VAL 54 N -1.88 3.48 -0.10 2.28 0.11 -1.19 -4.90 120.40 118.20 1u6f s VAL 54 Ca 0.48 0.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.01 1u6f s VAL 54 Cb 0.31 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1u6f s VAL 54 CO 0.23 -0.51 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.52 1u6f s ASP 55 N 6.34 3.86 0.59 3.54 1.01 -1.26 -4.88 116.67 125.87 1u6f s ASP 55 Ca 0.77 -0.33 0.33 0.00 0.71 0.00 0.00 52.55 54.03 1u6f s ASP 55 Cb -0.20 -1.35 1.88 0.00 1.01 0.00 0.00 42.92 44.26 1u6f s ASP 55 CO 0.31 0.21 2.24 1.05 0.21 0.00 0.00 175.17 179.20 1u6f h GLU 56 N 6.33 0.00 0.24 8.23 4.11 -1.93 -2.32 114.58 129.24 1u6f h GLU 56 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 1u6f h GLU 56 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1u6f h GLU 56 CO 0.53 0.03 -0.12 0.28 0.07 0.00 0.00 179.01 179.80 1u6f h VAL 57 N 0.00 0.51 -0.93 -1.06 2.07 -1.96 0.90 116.25 115.77 1u6f h VAL 57 Ca -0.00 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 66.73 1u6f h VAL 57 Cb 0.09 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1u6f h VAL 57 CO 0.00 0.13 0.60 1.56 0.02 0.00 0.00 177.57 179.88 1u6f h GLN 58 N -0.97 0.77 0.00 1.57 7.50 -1.92 0.47 115.11 122.52 1u6f h GLN 58 Ca -0.03 -0.05 -0.15 0.00 0.50 0.00 0.00 58.65 58.92 1u6f h GLN 58 Cb 0.47 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 1u6f h GLN 58 CO 0.05 0.51 -0.71 -0.07 -1.50 0.00 0.00 178.83 177.11 1u6f h LEU 59 N 0.79 0.00 0.59 1.46 3.38 -1.45 -2.58 115.31 117.49 1u6f h LEU 59 Ca 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.41 1u6f h LEU 59 Cb 0.67 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1u6f h LEU 59 CO -0.24 0.71 -0.29 -0.09 0.09 0.00 0.00 178.44 178.63 1u6f h ARG 60 N 0.00 -0.76 -0.21 1.13 1.12 0.56 0.71 114.38 116.93 1u6f h ARG 60 Ca -0.01 0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.83 1u6f h ARG 60 Cb 1.46 0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 31.59 1u6f h ARG 60 CO 0.09 -0.51 -0.21 1.96 -3.11 0.00 0.00 179.97 178.19 1u6f h GLN 61 N -0.79 0.50 -0.30 0.20 4.20 -1.31 0.53 115.11 118.13 1u6f h GLN 61 Ca -0.08 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1u6f h GLN 61 Cb 0.61 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1u6f h GLN 61 CO 0.13 0.85 0.17 1.25 -0.67 0.00 0.00 178.83 180.56 1u6f h LEU 62 N 0.18 0.38 0.01 1.46 5.85 -1.43 -1.96 115.31 119.80 1u6f h LEU 62 Ca 0.03 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 1u6f h LEU 62 Cb 0.76 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1u6f h LEU 62 CO 0.05 0.35 -0.64 -0.26 -0.34 0.00 0.00 178.44 177.60 1u6f h PHE 63 N 0.37 0.05 -0.30 1.25 0.04 0.40 -3.32 116.94 115.43 1u6f h PHE 63 Ca 0.11 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.93 1u6f h PHE 63 Cb 0.05 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1u6f h PHE 63 CO -0.03 1.25 0.36 1.05 -0.60 0.00 0.00 178.31 180.34 1u6f h GLU 64 N -0.93 0.00 -0.29 1.51 4.11 -0.00 -0.89 114.58 118.09 1u6f h GLU 64 Ca -0.17 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.31 1u6f h GLU 64 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1u6f h GLU 64 CO -0.08 0.00 0.01 -0.09 0.07 0.00 0.00 179.01 178.92 1u6f h ARG 65 N 0.00 0.09 0.00 1.06 1.12 -1.45 -0.62 114.38 114.58 1u6f h ARG 65 Ca 0.14 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1u6f h ARG 65 Cb 0.86 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 1u6f h ARG 65 CO -0.00 0.06 -0.07 0.66 -3.11 0.00 0.00 179.97 177.51 1u6f n TYR 66 N -5.15 0.09 -3.14 2.20 4.02 -0.38 -4.70 117.16 110.09 1u6f n TYR 66 Ca -0.00 0.03 0.05 0.00 -0.01 0.00 0.00 57.90 57.97 1u6f n TYR 66 Cb 0.15 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u6f s GLY 67 N -3.06 -0.95 -0.39 2.72 0.00 -0.40 -4.43 107.32 100.79 1u6f s GLY 67 Ca 0.13 2.08 -0.43 0.00 0.00 0.00 0.00 44.72 46.49 1u6f s GLY 67 CO 0.56 4.11 1.70 -1.05 0.00 0.00 0.00 173.10 178.42 1u6f n PRO 68 N 5.07 0.58 -2.83 2.90 -0.02 -0.38 -4.04 135.00 136.28 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 0.58 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.48 4.29 -0.22 4.25 -4.36 -1.26 -1.24 121.20 126.14 1u6f s ILE 69 Ca 1.03 1.68 -0.08 0.00 -0.26 0.00 0.00 60.65 63.02 1u6f s ILE 69 Cb -1.28 -3.89 -0.11 0.00 1.25 0.00 0.00 42.46 38.43 1u6f s ILE 69 CO 0.73 0.03 -0.26 1.21 0.24 0.00 0.00 174.94 176.89 1u6f n GLU 70 N 0.28 0.49 -3.78 0.37 2.13 0.30 -4.72 120.64 115.70 1u6f n GLU 70 Ca 0.03 0.18 -0.29 0.00 0.66 0.00 0.00 57.16 57.74 1u6f n GLU 70 Cb 0.51 -1.33 -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 -6.74 3.56 -0.03 4.31 0.01 -1.02 -5.02 113.70 108.77 1u6f s SER 71 Ca -0.30 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 55.76 1u6f s SER 71 Cb 0.11 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1u6f s SER 71 CO 0.42 -0.34 -0.12 0.54 0.41 0.00 0.00 173.24 174.16 1u6f s VAL 72 N 1.66 3.27 0.20 3.43 0.11 -1.26 -0.49 120.40 127.32 1u6f s VAL 72 Ca 0.02 -0.73 -0.18 0.00 -2.93 0.00 0.00 61.98 58.17 1u6f s VAL 72 Cb -0.18 -2.33 0.03 0.00 -1.53 0.00 0.00 36.38 32.37 1u6f s VAL 72 CO -0.14 0.53 0.53 -0.75 -3.33 0.00 0.00 175.10 171.94 1u6f s LYS 73 N -0.94 1.39 0.03 1.54 2.20 -0.37 -4.99 119.74 118.61 1u6f s LYS 73 Ca 0.13 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1u6f s LYS 73 Cb -0.11 0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1u6f s LYS 73 CO 0.02 -0.59 -0.11 0.42 -0.36 0.00 0.00 175.35 174.73 1u6f s ILE 74 N -3.87 3.31 -0.59 5.43 1.01 -1.26 0.25 121.20 125.48 1u6f s ILE 74 Ca 0.09 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 1u6f s ILE 74 Cb -0.01 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 40.11 1u6f s ILE 74 CO -0.03 0.33 0.72 -0.69 0.00 0.00 0.00 174.94 175.27 1u6f s VAL 75 N -1.01 4.78 1.05 2.92 1.01 0.37 -4.84 120.40 124.68 1u6f s VAL 75 Ca 0.17 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1u6f s VAL 75 Cb -0.11 -4.48 0.23 0.00 0.00 0.00 0.00 36.38 32.02 1u6f s VAL 75 CO 0.08 -1.12 1.25 0.00 0.00 0.00 0.00 175.10 175.31 1u6f s ASP 77 N -4.56 6.90 0.00 0.00 1.01 -0.50 -4.83 116.67 114.69 1u6f s ASP 77 Ca 0.73 1.10 0.18 0.00 0.71 0.00 0.00 52.55 55.27 1u6f s ASP 77 Cb -0.06 -2.42 0.77 0.00 1.01 0.00 0.00 42.92 42.22 1u6f s ASP 77 CO 0.54 -0.32 1.57 -1.14 0.21 0.00 0.00 175.17 176.03 1u6f n ARG 78 N 4.94 0.02 -0.06 8.23 0.63 -1.26 0.12 116.66 129.27 1u6f n ARG 78 Ca 0.02 0.19 -0.12 0.00 -0.92 0.00 0.00 57.85 57.02 1u6f n ARG 78 Cb 0.49 -1.50 -0.11 0.00 0.45 0.00 0.00 32.46 31.79 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1u6f h GLU 79 N 0.00 -0.01 -0.06 -0.14 5.08 -1.97 -3.39 114.58 114.10 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u6f h GLU 79 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1u6f h GLU 79 CO 0.00 0.84 0.00 0.25 -1.00 0.00 0.00 179.01 179.10 1u6f n THR 80 N -4.65 0.52 -2.52 1.13 -2.24 -1.21 -4.98 114.28 100.32 1u6f n THR 80 Ca -0.09 -0.76 -0.16 0.00 -2.27 0.00 0.00 64.05 60.78 1u6f n THR 80 Cb 0.41 0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.01 -2.30 -3.81 -0.78 5.12 0.31 -4.95 116.66 110.27 1u6f n ARG 81 Ca 0.03 0.71 -0.32 0.00 -1.93 0.00 0.00 57.85 56.34 1u6f n ARG 81 Cb 0.20 -5.35 -0.04 0.00 -1.16 0.00 0.00 32.46 26.11 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 -5.13 3.53 -0.47 5.56 -0.21 -1.21 -4.81 119.66 116.92 1u6f s GLN 82 Ca 0.04 -0.26 -0.27 0.00 0.02 0.00 0.00 55.36 54.90 1u6f s GLN 82 Cb -0.02 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1u6f s GLN 82 CO 0.05 0.56 2.10 0.45 -2.12 0.00 0.00 175.29 176.33 1u6f s SER 83 N -2.36 5.08 0.00 5.90 0.15 -1.26 -1.40 113.70 119.81 1u6f s SER 83 Ca 0.36 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1u6f s SER 83 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1u6f s SER 83 CO 0.25 -2.40 0.00 0.54 1.20 0.00 0.00 173.24 172.83 1u6f n ARG 84 N 8.94 0.00 0.00 5.44 1.74 -1.26 -4.57 116.66 126.95 1u6f n ARG 84 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1u6f n ARG 84 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1u6f n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u6f n GLY 85 N 0.00 2.30 3.83 -0.13 0.00 -1.24 -3.70 105.19 106.24 1u6f n GLY 85 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.06 1.61 -0.85 -1.08 -4.70 117.35 112.39 1u6f s TYR 86 Ca 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1u6f s TYR 86 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.97 1u6f s TYR 86 CO 0.00 -0.61 0.02 0.41 -1.52 0.00 0.00 175.55 173.86 1u6f n GLY 87 N -0.66 3.57 3.16 5.49 0.00 0.34 0.14 105.19 117.23 1u6f n GLY 87 Ca -0.03 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.77 -0.12 -0.20 1.61 0.40 0.71 -0.83 117.98 118.78 1u6f s PHE 88 Ca 0.02 0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.54 1u6f s PHE 88 Cb -0.00 0.04 0.09 0.00 0.51 0.00 0.00 43.02 43.66 1u6f s PHE 88 CO 0.01 -0.28 0.20 0.14 0.70 0.00 0.00 175.22 176.00 1u6f s VAL 89 N -0.93 -0.29 -0.44 -0.44 -7.23 0.41 -1.24 120.40 110.24 1u6f s VAL 89 Ca -0.10 -0.13 -0.21 0.00 -1.81 0.00 0.00 61.98 59.73 1u6f s VAL 89 Cb -0.05 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1u6f s VAL 89 CO 0.02 -0.22 0.68 -0.75 -0.31 0.00 0.00 175.10 174.52 1u6f s LYS 90 N 2.30 3.31 0.56 4.82 2.20 0.35 -2.13 119.74 131.15 1u6f s LYS 90 Ca 0.06 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.18 1u6f s LYS 90 Cb -0.16 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 1u6f s LYS 90 CO -0.12 -1.04 1.08 -0.06 -0.36 0.00 0.00 175.35 174.85 1u6f s PHE 91 N 2.94 2.83 0.61 4.03 0.40 -0.55 0.11 117.98 128.35 1u6f s PHE 91 Ca 0.24 1.55 0.28 0.00 -0.60 0.00 0.00 56.93 58.40 1u6f s PHE 91 Cb -0.14 -3.14 1.45 0.00 0.51 0.00 0.00 43.02 41.70 1u6f s PHE 91 CO 0.20 -1.28 1.85 1.96 0.70 0.00 0.00 175.22 178.65 1u6f h GLN 92 N 0.92 0.00 -2.45 0.44 4.20 -1.46 -3.41 115.11 113.35 1u6f h GLN 92 Ca -0.49 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.14 1u6f h GLN 92 Cb 1.24 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.80 1u6f h GLN 92 CO 0.57 0.00 -0.08 -1.12 -0.67 0.00 0.00 178.83 177.53 1u6f s SER 93 N -4.86 -0.54 0.58 1.46 0.01 -1.26 -4.99 113.70 104.10 1u6f s SER 93 Ca -0.04 0.98 0.29 0.00 1.31 0.00 0.00 55.95 58.49 1u6f s SER 93 Cb 0.13 0.99 1.45 0.00 0.21 0.00 0.00 66.02 68.80 1u6f s SER 93 CO 0.45 -0.24 1.86 1.23 0.41 0.00 0.00 173.24 176.96 1u6f h GLY 94 N 5.00 0.00 2.00 3.44 0.00 -1.80 0.77 103.07 112.48 1u6f h GLY 94 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1u6f h GLY 94 CO 0.20 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 178.12 1u6f h SER 95 N 0.00 0.00 1.01 0.19 4.64 -1.93 -1.84 113.55 115.61 1u6f h SER 95 Ca 0.28 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.42 1u6f h SER 95 Cb 1.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1u6f h SER 95 CO -0.00 0.10 -0.82 -1.28 -0.87 0.00 0.00 176.83 173.95 1u6f h SER 96 N 0.00 0.00 -0.69 4.97 0.87 0.18 -3.27 113.55 115.61 1u6f h SER 96 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1u6f h SER 96 Cb 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 1u6f h SER 96 CO 0.01 0.82 0.37 0.00 -0.53 0.00 0.00 176.83 177.51 1u6f h ALA 97 N 1.18 0.94 -0.78 6.23 0.00 -1.33 -0.13 119.26 125.37 1u6f h ALA 97 Ca -0.01 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1u6f h ALA 97 Cb 1.55 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1u6f h ALA 97 CO 0.11 0.01 0.51 1.96 0.00 0.00 0.00 179.25 181.84 1u6f h GLN 98 N 0.66 0.66 -0.03 0.00 1.08 -1.62 0.37 115.11 116.22 1u6f h GLN 98 Ca 0.32 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.31 1u6f h GLN 98 Cb 0.27 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1u6f h GLN 98 CO -0.22 0.44 -0.75 1.96 -0.95 0.00 0.00 178.83 179.31 1u6f h GLN 99 N 0.68 0.22 0.29 1.46 1.08 -1.22 -1.59 115.11 116.03 1u6f h GLN 99 Ca 0.36 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1u6f h GLN 99 Cb 0.49 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1u6f h GLN 99 CO -0.14 0.87 -0.14 0.00 -0.95 0.00 0.00 178.83 178.48 1u6f h ALA 100 N 1.07 -0.39 0.00 3.87 0.00 0.64 -2.36 119.26 122.08 1u6f h ALA 100 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1u6f h ALA 100 Cb 1.32 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1u6f h ALA 100 CO 0.12 -0.46 -0.00 0.82 0.00 0.00 0.00 179.25 179.72 1u6f h ILE 101 N -0.91 0.60 -0.10 0.00 2.04 -0.47 1.22 117.51 119.88 1u6f h ILE 101 Ca -0.04 -0.01 -0.22 0.00 1.00 0.00 0.00 64.86 65.58 1u6f h ILE 101 Cb 0.51 1.01 0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1u6f h ILE 101 CO 0.07 0.00 -0.83 0.00 0.00 0.00 0.00 178.15 177.39 1u6f h ALA 102 N 2.00 0.34 0.00 1.87 0.00 -1.22 -3.22 119.26 119.03 1u6f h ALA 102 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1u6f h ALA 102 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u6f h ALA 102 CO 0.00 0.71 -0.15 0.41 0.00 0.00 0.00 179.25 180.21 1u6f n GLY 103 N 0.76 3.10 0.00 0.00 0.00 -0.86 -4.81 105.19 103.38 1u6f n GLY 103 Ca -0.07 -0.66 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 -0.87 0.36 -4.68 0.99 4.77 0.41 -4.86 117.00 113.12 1u6f n LEU 104 Ca 0.09 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.61 1u6f n LEU 104 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1u6f n LEU 104 CO 0.01 0.06 1.49 -3.20 -1.33 0.00 0.00 177.39 174.42 1u6f n ASN 105 N -1.34 3.63 -1.06 -1.43 5.15 -1.07 -0.41 115.26 118.73 1u6f n ASN 105 Ca 0.00 0.97 -0.14 0.00 -0.60 0.00 0.00 54.58 54.81 1u6f n ASN 105 Cb 0.10 -1.42 -0.06 0.00 -0.53 0.00 0.00 39.78 37.86 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 4.34 1.36 3.54 8.20 0.00 0.92 -4.82 105.19 118.72 1u6f n GLY 106 Ca 0.21 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.37 0.81 -1.93 1.61 7.35 0.45 -4.55 117.46 118.83 1u6f n PHE 107 Ca -0.14 0.01 -0.29 0.00 -0.76 0.00 0.00 57.45 56.27 1u6f n PHE 107 Cb 0.57 -1.98 -0.05 0.00 0.35 0.00 0.00 39.48 38.37 1u6f n PHE 107 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1u6f s ASN 108 N 7.68 4.93 0.58 -2.13 4.22 -1.26 -0.74 114.94 128.22 1u6f s ASN 108 Ca 1.07 -0.12 -0.08 0.00 -2.14 0.00 0.00 52.86 51.59 1u6f s ASN 108 Cb -0.39 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 39.58 1u6f s ASN 108 CO 0.25 -2.82 0.93 -0.51 -2.04 0.00 0.00 177.10 172.91 1u6f s ILE 109 N 10.68 4.30 0.62 0.54 2.07 0.27 -4.94 121.20 134.73 1u6f s ILE 109 Ca 0.75 0.36 0.27 0.00 -1.41 0.00 0.00 60.65 60.61 1u6f s ILE 109 Cb -0.10 -3.69 0.34 0.00 0.13 0.00 0.00 42.46 39.13 1u6f s ILE 109 CO 0.09 -0.78 1.75 0.25 -1.91 0.00 0.00 174.94 174.33 1u6f h LEU 110 N -0.16 0.00 0.00 8.50 6.46 -2.04 -2.97 115.31 125.10 1u6f h LEU 110 Ca -0.45 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.22 1u6f h LEU 110 Cb 1.22 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1u6f h LEU 110 CO 0.62 0.00 -1.32 -0.46 -0.62 0.00 0.00 178.44 176.66 1u6f n ASN 111 N -3.35 3.70 -0.92 1.25 0.23 -1.26 -5.11 115.26 109.80 1u6f n ASN 111 Ca 0.07 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.11 1u6f n ASN 111 Cb 0.75 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.68 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1u6f n LYS 112 N -2.44 0.00 -3.94 -3.83 4.76 -1.12 -5.16 118.16 106.42 1u6f n LYS 112 Ca -0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.06 1u6f n LYS 112 Cb 0.63 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.65 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 -1.77 1.76 -1.09 1.97 3.52 -1.26 0.95 118.95 123.04 1u6f s ARG 113 Ca 0.00 -0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 54.82 1u6f s ARG 113 Cb 0.00 -2.05 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1u6f s ARG 113 CO 0.00 -0.36 1.90 -0.51 -0.81 0.00 0.00 175.30 175.52 1u6f s LEU 114 N 1.56 3.16 -0.24 -0.88 1.02 0.08 -4.43 118.68 118.96 1u6f s LEU 114 Ca 0.02 -1.36 -0.28 0.00 0.02 0.00 0.00 54.13 52.53 1u6f s LEU 114 Cb -0.14 -2.58 0.01 0.00 0.02 0.00 0.00 46.19 43.50 1u6f s LEU 114 CO -0.09 -2.77 1.01 -0.75 0.02 0.00 0.00 176.35 173.78 1u6f s LYS 115 N 6.45 4.23 -0.12 1.70 2.20 -0.14 -0.06 119.74 133.99 1u6f s LYS 115 Ca 0.67 1.26 0.01 0.00 -0.36 0.00 0.00 55.97 57.55 1u6f s LYS 115 Cb -0.02 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1u6f s LYS 115 CO 0.07 -0.64 -0.14 0.08 -0.36 0.00 0.00 175.35 174.36 1u6f s VAL 116 N 3.19 1.43 -0.03 4.02 1.01 -1.25 0.40 120.40 129.17 1u6f s VAL 116 Ca 0.43 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1u6f s VAL 116 Cb -0.15 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1u6f s VAL 116 CO 0.07 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 1u6f s ALA 117 N 1.19 0.93 0.12 5.51 0.00 0.13 -4.69 121.76 124.96 1u6f s ALA 117 Ca -0.03 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 1u6f s ALA 117 Cb -0.14 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1u6f s ALA 117 CO -0.04 0.14 1.57 -0.51 0.00 0.00 0.00 175.76 176.92 1u6f s LEU 118 N 0.25 4.37 0.02 0.00 2.01 -1.26 0.17 118.68 124.24 1u6f s LEU 118 Ca -0.04 2.52 -0.25 0.00 0.01 0.00 0.00 54.13 56.36 1u6f s LEU 118 Cb -0.10 -3.58 -0.17 0.00 0.01 0.00 0.00 46.19 42.35 1u6f s LEU 118 CO 0.01 -0.82 1.34 0.00 1.01 0.00 0.00 176.35 177.89 1u6f h ALA 119 N 7.40 -0.31 -0.82 4.21 0.00 -1.61 -3.46 119.26 124.66 1u6f h ALA 119 Ca -0.42 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1u6f h ALA 119 Cb 1.20 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1u6f h ALA 119 CO 0.91 -0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1u6f n ALA 120 N -2.39 0.00 -2.19 0.00 0.00 -1.25 -1.29 120.51 113.38 1u6f n ALA 120 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1u6f n ALA 120 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 1.63 -0.48 -0.87 0.00 7.64 -1.26 -4.95 113.62 115.32 1u6f n SER 121 Ca 0.00 -2.02 0.12 0.00 1.01 0.00 0.00 58.87 57.98 1u6f n SER 121 Cb 0.00 0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.01 -2.00 4.25 0.23 0.00 -0.42 -4.85 105.19 102.40 1u6f n GLY 122 Ca -0.18 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 1u6f n GLY 122 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u6f n HIS 123 N -3.27 -1.59 -1.24 1.61 1.44 -1.26 -4.92 115.22 106.00 1u6f n HIS 123 Ca -0.01 0.74 -0.30 0.00 -2.01 0.00 0.00 57.72 56.14 1u6f n HIS 123 Cb 0.40 -2.60 0.25 0.00 0.12 0.00 0.00 29.99 28.16 1u6f n HIS 123 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1u6f s GLN 124 N -6.94 -1.26 -0.28 -1.40 -1.52 -1.26 -4.87 119.66 102.13 1u6f s GLN 124 Ca 0.75 -0.28 -0.30 0.00 -1.95 0.00 0.00 55.36 53.57 1u6f s GLN 124 Cb -0.42 -1.61 -0.07 0.00 -0.22 0.00 0.00 33.01 30.69 1u6f s GLN 124 CO 0.92 -3.70 2.23 -2.13 -0.25 0.00 0.00 175.29 172.36 1u6f n ARG 125 N -4.70 1.60 0.01 2.91 0.63 -1.26 -4.85 116.66 110.99 1u6f n ARG 125 Ca 0.16 0.42 -0.18 0.00 -0.92 0.00 0.00 57.85 57.32 1u6f n ARG 125 Cb 0.60 -2.98 -0.11 0.00 0.45 0.00 0.00 32.46 30.42 1u6f n ARG 125 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1u6f h PRO 126 N 14.44 0.44 0.00 -0.14 0.13 -2.02 -3.49 132.00 141.35 1u6f h PRO 126 Ca -0.35 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1u6f h PRO 126 Cb 1.27 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1u6f h PRO 126 CO 0.99 1.14 0.00 0.41 -0.23 0.00 0.00 178.00 180.31 1u6f n GLY 127 N 1.11 1.62 1.22 1.56 0.00 -1.26 -5.11 105.19 104.32 1u6f n GLY 127 Ca -0.11 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.07 -1.73 -0.61 -0.00 -1.26 -4.85 119.36 108.83 1u6f n ILE 128 Ca 0.00 1.09 -0.38 0.00 -0.00 0.00 0.00 62.75 63.46 1u6f n ILE 128 Cb 0.00 -1.79 0.06 0.00 -0.00 0.00 0.00 39.64 37.91 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 -2.57 1.30 -2.00 -1.39 0.00 -1.26 -5.02 120.51 109.57 1u6f n ALA 129 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1u6f n ALA 129 Cb 0.40 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N 0.87 0.45 2.78 0.00 0.00 -1.26 -4.94 105.19 103.09 1u6f n GLY 130 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f n ALA 131 N -3.00 -0.84 -3.93 4.61 0.00 -1.26 -4.96 120.51 111.12 1u6f n ALA 131 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 1u6f n ALA 131 Cb 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 19.45 16.06 1u6f n ALA 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1u6f s VAL 132 N -3.13 1.92 0.00 0.00 -7.23 -1.26 -4.78 120.40 105.92 1u6f s VAL 132 Ca 0.19 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1u6f s VAL 132 Cb -0.08 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1u6f s VAL 132 CO 0.23 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1u6f n GLY 133 N 4.30 0.06 3.93 2.32 0.00 -1.26 -5.15 105.19 109.40 1u6f n GLY 133 Ca 0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1u6f n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u6f s ASP 134 N -1.02 6.34 -0.74 1.61 1.11 -1.26 -5.07 116.67 117.65 1u6f s ASP 134 Ca 0.00 0.21 -0.10 0.00 0.18 0.00 0.00 52.55 52.84 1u6f s ASP 134 Cb 0.00 -1.93 0.19 0.00 1.07 0.00 0.00 42.92 42.26 1u6f s ASP 134 CO 0.00 0.10 0.64 -0.83 1.18 0.00 0.00 175.17 176.26 1u6f s GLY 135 N -2.93 2.57 -0.45 0.21 0.00 -1.26 -4.99 107.32 100.47 1u6f s GLY 135 Ca 0.35 -3.24 0.04 0.00 0.00 0.00 0.00 44.72 41.86 1u6f s GLY 135 CO 0.28 1.20 0.19 0.54 0.00 0.00 0.00 173.10 175.31 1u6f s ASN 136 N 1.79 4.42 0.02 1.64 4.22 -1.26 -4.83 114.94 120.93 1u6f s ASN 136 Ca 0.17 -2.70 0.00 0.00 -2.14 0.00 0.00 52.86 48.19 1u6f s ASN 136 Cb -0.15 -1.59 0.00 0.00 1.28 0.00 0.00 41.25 40.79 1u6f s ASN 136 CO -0.06 -0.28 0.00 0.61 -2.04 0.00 0.00 177.10 175.32 1u6f n GLY 137 N 3.53 -0.16 0.09 0.45 0.00 -1.26 -4.98 105.19 102.86 1u6f n GLY 137 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.57 0.00 -0.52 1.61 9.36 -1.26 -5.27 117.16 118.51 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 -0.86 0.00 0.00 -0.63 0.00 0.00 39.34 37.85 1u6f n TYR 138 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36