#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 3.03 0.46 7.83 0.01 -1.26 -5.06 113.70 118.71 1u6f s SER 2 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1u6f s SER 2 Cb 0.00 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.82 1u6f s SER 2 CO 0.00 0.01 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1u6f n GLN 3 N 4.52 -3.09 -2.00 12.44 6.02 -1.26 -4.74 117.38 129.28 1u6f n GLN 3 Ca -0.20 2.26 -0.41 0.00 -0.01 0.00 0.00 57.00 58.64 1u6f n GLN 3 Cb 0.50 -3.70 -0.02 0.00 1.02 0.00 0.00 30.24 28.04 1u6f n GLN 3 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u6f s ILE 4 N -3.06 2.59 -0.92 5.09 1.09 -1.26 -4.89 121.20 119.84 1u6f s ILE 4 Ca 0.00 0.52 -0.25 0.00 -1.10 0.00 0.00 60.65 59.83 1u6f s ILE 4 Cb 0.00 -3.33 -0.06 0.00 -1.06 0.00 0.00 42.46 38.01 1u6f s ILE 4 CO 0.00 0.10 1.99 -2.16 -0.10 0.00 0.00 174.94 174.76 1u6f s PRO 5 N -0.82 2.45 -0.44 2.79 0.04 -1.26 -4.77 135.00 132.99 1u6f s PRO 5 Ca 0.57 -0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.34 1u6f s PRO 5 Cb -0.42 -5.05 0.60 0.00 0.04 0.00 0.00 34.50 29.67 1u6f s PRO 5 CO 0.47 -3.55 1.88 1.28 0.04 0.00 0.00 177.00 177.12 1u6f n LEU 6 N 14.48 6.61 -4.62 -3.56 4.77 -1.26 -4.93 117.00 128.49 1u6f n LEU 6 Ca 0.41 -3.54 -0.42 0.00 -0.03 0.00 0.00 56.01 52.42 1u6f n LEU 6 Cb 0.47 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1u6f n LEU 6 CO 0.60 1.06 0.73 0.68 -1.33 0.00 0.00 177.39 179.14 1u6f s VAL 7 N -3.23 4.67 0.21 4.08 -7.23 -1.26 -4.90 120.40 112.74 1u6f s VAL 7 Ca 0.54 1.37 0.00 0.00 -1.81 0.00 0.00 61.98 62.08 1u6f s VAL 7 Cb 0.45 -4.26 0.00 0.00 0.56 0.00 0.00 36.38 33.13 1u6f s VAL 7 CO 0.09 -0.36 0.00 -1.20 -0.31 0.00 0.00 175.10 173.32 1u6f n SER 8 N 6.49 -7.58 -4.54 4.85 7.64 -1.26 -4.84 113.62 114.38 1u6f n SER 8 Ca 0.07 0.95 -0.33 0.00 1.01 0.00 0.00 58.87 60.57 1u6f n SER 8 Cb 0.48 -2.68 -0.12 0.00 -1.01 0.00 0.00 64.21 60.88 1u6f n SER 8 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1u6f s GLN 9 N -1.36 2.56 0.40 1.43 -0.21 -1.26 -5.13 119.66 116.09 1u6f s GLN 9 Ca 0.00 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 54.77 1u6f s GLN 9 Cb 0.00 -2.47 0.07 0.00 1.00 0.00 0.00 33.01 31.61 1u6f s GLN 9 CO 0.00 0.63 0.54 0.66 -2.12 0.00 0.00 175.29 175.00 1u6f n TYR 10 N 2.03 -2.41 -4.28 0.91 4.01 -1.26 -5.14 117.16 111.02 1u6f n TYR 10 Ca -0.17 -1.48 -0.20 0.00 -0.16 0.00 0.00 57.90 55.90 1u6f n TYR 10 Cb 0.53 -0.38 -0.16 0.00 -0.31 0.00 0.00 39.34 39.02 1u6f n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1u6f s ASP 11 N -3.48 1.04 -0.36 7.72 1.01 -1.26 -5.11 116.67 116.22 1u6f s ASP 11 Ca 0.41 -0.16 -0.29 0.00 0.71 0.00 0.00 52.55 53.23 1u6f s ASP 11 Cb -0.03 -0.35 0.01 0.00 1.01 0.00 0.00 42.92 43.55 1u6f s ASP 11 CO 0.26 0.02 1.36 -2.16 0.21 0.00 0.00 175.17 174.86 1u6f s PRO 12 N 0.43 3.74 -0.67 8.23 0.04 -1.26 -4.97 135.00 140.53 1u6f s PRO 12 Ca -0.06 1.08 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1u6f s PRO 12 Cb -0.10 -3.95 0.03 0.00 0.04 0.00 0.00 34.50 30.52 1u6f s PRO 12 CO 0.00 -1.35 1.20 0.71 0.04 0.00 0.00 177.00 177.60 1u6f s TYR 13 N 4.91 2.45 0.62 0.56 2.02 -1.26 -5.01 117.35 121.63 1u6f s TYR 13 Ca 0.59 0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 57.22 1u6f s TYR 13 Cb -0.15 -4.52 -0.03 0.00 -0.40 0.00 0.00 41.96 36.86 1u6f s TYR 13 CO 0.28 -1.84 1.01 0.20 -1.57 0.00 0.00 175.55 173.63 1u6f s GLY 14 N 3.44 1.63 0.00 0.71 0.00 -1.26 -4.74 107.32 107.10 1u6f s GLY 14 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1u6f s GLY 14 CO 0.18 0.07 0.00 -1.06 0.00 0.00 0.00 173.10 172.29 1u6f n GLN 15 N -2.74 0.00 0.01 2.90 6.02 -1.26 -5.05 117.38 117.26 1u6f n GLN 15 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1u6f n GLN 15 Cb 0.55 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1u6f n GLN 15 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1u6f n THR 16 N -2.24 0.00 -3.35 5.09 5.66 -1.26 -5.08 114.28 113.11 1u6f n THR 16 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1u6f n THR 16 Cb 0.00 -0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 68.25 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f s ALA 17 N -2.00 3.55 -1.41 1.79 0.00 -1.26 -4.99 121.76 117.44 1u6f s ALA 17 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1u6f s ALA 17 Cb 0.00 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.51 1u6f s ALA 17 CO 0.00 -0.30 2.09 0.94 0.00 0.00 0.00 175.76 178.49 1u6f n GLN 18 N 4.46 3.02 -4.28 0.00 7.27 -1.26 -4.76 117.38 121.83 1u6f n GLN 18 Ca -0.07 -2.86 -0.33 0.00 0.07 0.00 0.00 57.00 53.81 1u6f n GLN 18 Cb 0.51 -3.27 -0.16 0.00 2.41 0.00 0.00 30.24 29.73 1u6f n GLN 18 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1u6f s LEU 19 N 2.18 2.12 0.00 1.69 2.96 -1.26 -4.92 118.68 121.45 1u6f s LEU 19 Ca 0.47 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1u6f s LEU 19 Cb 0.11 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1u6f s LEU 19 CO -0.05 0.02 0.00 0.00 -1.32 0.00 0.00 176.35 175.00 1u6f n GLN 20 N 4.46 0.00 0.13 1.98 6.02 -1.26 -3.29 117.38 125.42 1u6f n GLN 20 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1u6f n GLN 20 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1u6f n GLN 20 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1u6f n GLN 21 N 0.00 0.00 0.00 -1.09 6.02 -1.26 -5.11 117.38 115.94 1u6f n GLN 21 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1u6f n GLN 21 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1u6f n GLN 21 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1u6f n LEU 22 N -3.24 0.00 -3.49 1.08 -0.00 -1.21 -4.46 117.00 105.69 1u6f n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1u6f n LEU 22 Cb 0.00 0.28 -0.05 0.00 -0.00 0.00 0.00 43.42 43.65 1u6f n LEU 22 CO 0.00 -0.32 0.67 -1.10 -0.00 0.00 0.00 177.39 176.63 1u6f s GLN 23 N -0.64 0.30 -0.04 1.47 -0.21 -1.26 -4.75 119.66 114.52 1u6f s GLN 23 Ca 0.00 0.65 0.01 0.00 0.02 0.00 0.00 55.36 56.03 1u6f s GLN 23 Cb 0.00 0.28 0.02 0.00 1.00 0.00 0.00 33.01 34.31 1u6f s GLN 23 CO 0.00 -0.09 -0.03 -1.14 -2.12 0.00 0.00 175.29 171.92 1u6f s GLN 24 N 1.98 0.63 0.36 2.91 0.74 -1.26 -5.14 119.66 119.88 1u6f s GLN 24 Ca -0.05 -0.04 -0.10 0.00 0.05 0.00 0.00 55.36 55.22 1u6f s GLN 24 Cb -0.05 -0.71 0.03 0.00 1.10 0.00 0.00 33.01 33.38 1u6f s GLN 24 CO -0.16 -0.10 0.63 -0.65 -0.55 0.00 0.00 175.29 174.46 1u6f s GLN 25 N 0.97 2.04 -0.57 1.67 -0.21 -1.26 -5.07 119.66 117.23 1u6f s GLN 25 Ca -0.10 -1.55 0.02 0.00 0.02 0.00 0.00 55.36 53.75 1u6f s GLN 25 Cb -0.14 0.54 0.40 0.00 1.00 0.00 0.00 33.01 34.81 1u6f s GLN 25 CO -0.01 -0.91 1.48 0.00 -2.12 0.00 0.00 175.29 173.74 1u6f n GLN 26 N -0.53 3.18 -3.21 2.91 0.00 -1.26 -4.95 117.38 113.52 1u6f n GLN 26 Ca -0.04 -4.06 -0.46 0.00 0.00 0.00 0.00 57.00 52.44 1u6f n GLN 26 Cb 0.61 -2.26 -0.02 0.00 0.00 0.00 0.00 30.24 28.56 1u6f n GLN 26 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1u6f s GLN 27 N -3.74 3.59 0.38 2.61 -1.52 -1.26 -5.04 119.66 114.68 1u6f s GLN 27 Ca 0.51 -2.23 -0.14 0.00 -1.95 0.00 0.00 55.36 51.54 1u6f s GLN 27 Cb 0.42 -4.57 -0.08 0.00 -0.22 0.00 0.00 33.01 28.56 1u6f s GLN 27 CO -0.22 -1.44 0.79 -0.65 -0.25 0.00 0.00 175.29 173.52 1u6f s GLN 28 N 0.95 3.93 -0.13 2.91 -0.21 -1.26 -5.03 119.66 120.82 1u6f s GLN 28 Ca 0.22 0.66 -0.06 0.00 0.02 0.00 0.00 55.36 56.20 1u6f s GLN 28 Cb -0.09 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 1u6f s GLN 28 CO -0.09 0.03 -0.11 0.45 -2.12 0.00 0.00 175.29 173.45 1u6f h HIS 29 N 1.73 0.00 -3.14 0.91 3.86 -2.05 -3.45 115.15 113.02 1u6f h HIS 29 Ca -0.48 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.12 1u6f h HIS 29 Cb 1.18 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.25 1u6f h HIS 29 CO 0.62 0.00 -0.72 0.42 0.86 0.00 0.00 177.93 179.11 1u6f s ILE 30 N -1.99 1.60 0.16 2.45 1.01 -1.26 -5.00 121.20 118.16 1u6f s ILE 30 Ca -0.09 -2.49 -0.16 0.00 0.00 0.00 0.00 60.65 57.90 1u6f s ILE 30 Cb 0.01 -2.13 0.03 0.00 0.01 0.00 0.00 42.46 40.38 1u6f s ILE 30 CO 0.14 -0.82 1.77 -0.65 0.00 0.00 0.00 174.94 175.38 1u6f h PRO 31 N 6.96 0.37 -3.36 2.79 0.11 -2.03 -3.24 132.00 133.61 1u6f h PRO 31 Ca -0.04 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.35 1u6f h PRO 31 Cb 0.94 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1u6f h PRO 31 CO 0.52 0.24 3.39 -0.35 -0.21 0.00 0.00 178.00 181.60 1u6f n PRO 32 N -4.94 3.47 -3.46 1.05 -0.04 -1.26 -4.85 135.00 124.97 1u6f n PRO 32 Ca 0.02 -2.52 -0.43 0.00 -0.04 0.00 0.00 63.50 60.53 1u6f n PRO 32 Cb 0.10 -2.97 -0.04 0.00 -0.04 0.00 0.00 33.50 30.55 1u6f n PRO 32 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1u6f s THR 33 N 2.18 5.04 0.00 0.52 2.01 -1.23 -4.52 115.64 119.64 1u6f s THR 33 Ca 0.59 -2.80 0.00 0.00 0.31 0.00 0.00 61.69 59.79 1u6f s THR 33 Cb 0.16 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1u6f s THR 33 CO -0.07 -1.01 0.00 1.67 -0.69 0.00 0.00 174.62 174.52 1u6f n GLN 34 N 3.59 0.00 -1.90 4.92 7.27 -1.26 -5.08 117.38 124.92 1u6f n GLN 34 Ca 0.14 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.80 1u6f n GLN 34 Cb 0.43 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.05 1u6f n GLN 34 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1u6f s MET 35 N -1.48 2.97 -0.25 3.69 1.75 -1.26 -4.90 119.30 119.82 1u6f s MET 35 Ca 0.00 1.31 -0.29 0.00 -1.25 0.00 0.00 55.69 55.47 1u6f s MET 35 Cb 0.00 -4.32 -0.06 0.00 2.84 0.00 0.00 34.83 33.29 1u6f s MET 35 CO 0.00 -2.29 2.23 0.09 -0.65 0.00 0.00 175.02 174.40 1u6f n ASN 36 N 11.82 3.09 -4.15 1.11 4.13 -1.26 -4.84 115.26 125.16 1u6f n ASN 36 Ca 0.25 0.19 -0.34 0.00 1.68 0.00 0.00 54.58 56.36 1u6f n ASN 36 Cb 0.49 -1.53 -0.07 0.00 -1.54 0.00 0.00 39.78 37.13 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1u6f n PRO 37 N 8.72 1.26 -1.70 3.52 -0.04 -1.26 -4.90 135.00 140.60 1u6f n PRO 37 Ca 0.32 -2.04 -0.43 0.00 -0.04 0.00 0.00 63.50 61.31 1u6f n PRO 37 Cb 0.43 -3.36 -0.03 0.00 -0.04 0.00 0.00 33.50 30.50 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 6.24 3.25 0.11 0.54 2.02 -1.26 -4.89 118.70 124.71 1u6f s GLU 38 Ca 0.66 1.94 -0.30 0.00 0.02 0.00 0.00 54.97 57.30 1u6f s GLU 38 Cb 0.06 -4.32 -0.09 0.00 0.10 0.00 0.00 34.13 29.87 1u6f s GLU 38 CO 0.16 -1.97 1.61 -1.35 0.02 0.00 0.00 175.26 173.72 1u6f h PRO 39 N 14.27 -0.58 -0.33 0.39 0.11 -1.95 0.64 132.00 144.55 1u6f h PRO 39 Ca -0.40 0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.84 1u6f h PRO 39 Cb 1.22 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1u6f h PRO 39 CO 0.97 -0.39 0.40 0.22 -0.21 0.00 0.00 178.00 178.99 1u6f h ASP 40 N -0.61 0.00 0.22 -2.05 1.82 -1.97 0.30 116.42 114.13 1u6f h ASP 40 Ca 0.02 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.32 1u6f h ASP 40 Cb 0.62 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1u6f h ASP 40 CO -0.19 0.00 -1.99 0.52 -1.61 0.00 0.00 179.24 175.97 1u6f n VAL 41 N -3.62 1.67 -0.04 2.25 0.31 -0.44 -3.94 118.33 114.52 1u6f n VAL 41 Ca 0.05 -0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 63.54 1u6f n VAL 41 Cb 0.55 -1.38 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1u6f n VAL 41 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1u6f h LEU 42 N 0.04 0.23 -2.84 7.52 3.38 0.18 -3.03 115.31 120.79 1u6f h LEU 42 Ca -0.41 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1u6f h LEU 42 Cb 2.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 1u6f h LEU 42 CO 0.06 0.73 0.05 0.08 0.09 0.00 0.00 178.44 179.45 1u6f h ARG 43 N -0.27 0.00 -6.46 1.13 0.11 -0.69 -3.40 114.38 104.80 1u6f h ARG 43 Ca 0.01 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.52 1u6f h ARG 43 Cb 0.68 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.71 1u6f h ARG 43 CO 0.03 0.00 0.96 1.21 0.10 0.00 0.00 179.97 182.26 1u6f s ASN 44 N -5.04 6.65 -0.22 0.08 3.04 -1.14 -0.29 114.94 118.02 1u6f s ASN 44 Ca -0.05 0.95 -0.01 0.00 0.04 0.00 0.00 52.86 53.79 1u6f s ASN 44 Cb 0.12 -2.54 0.02 0.00 -1.54 0.00 0.00 41.25 37.31 1u6f s ASN 44 CO 0.39 -1.15 -0.10 -0.76 -3.04 0.00 0.00 177.10 172.44 1u6f s LEU 45 N 4.45 2.77 -0.40 3.21 2.01 -0.28 -2.83 118.68 127.61 1u6f s LEU 45 Ca 0.53 -0.69 -0.17 0.00 0.01 0.00 0.00 54.13 53.81 1u6f s LEU 45 Cb -0.13 -1.62 0.01 0.00 0.01 0.00 0.00 46.19 44.46 1u6f s LEU 45 CO 0.25 -0.06 0.43 -0.32 1.01 0.00 0.00 176.35 177.66 1u6f s MET 46 N 1.35 3.25 -0.11 1.70 1.75 0.15 0.10 119.30 127.49 1u6f s MET 46 Ca 0.03 -0.62 -0.05 0.00 -1.25 0.00 0.00 55.69 53.80 1u6f s MET 46 Cb -0.15 -3.92 -0.04 0.00 2.84 0.00 0.00 34.83 33.57 1u6f s MET 46 CO -0.07 -0.76 0.08 0.54 -0.65 0.00 0.00 175.02 174.15 1u6f s VAL 47 N 2.15 4.97 -0.06 10.11 0.11 -0.60 0.82 120.40 137.90 1u6f s VAL 47 Ca 0.13 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 1u6f s VAL 47 Cb -0.17 -3.15 0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1u6f s VAL 47 CO 0.13 0.60 0.15 0.21 -3.33 0.00 0.00 175.10 172.86 1u6f s ASN 48 N -0.84 -0.14 0.21 3.54 2.47 0.30 -0.28 114.94 120.21 1u6f s ASN 48 Ca 0.13 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.71 1u6f s ASN 48 Cb -0.12 0.25 0.00 0.00 -1.45 0.00 0.00 41.25 39.93 1u6f s ASN 48 CO 0.03 -0.10 0.00 0.00 -3.72 0.00 0.00 177.10 173.31 1u6f n TYR 49 N 3.61 -2.96 -4.07 0.43 9.36 -1.26 -2.01 117.16 120.25 1u6f n TYR 49 Ca -0.19 0.66 -0.24 0.00 3.32 0.00 0.00 57.90 61.44 1u6f n TYR 49 Cb 0.55 1.80 -0.05 0.00 -0.63 0.00 0.00 39.34 41.02 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 -1.49 4.61 0.00 2.97 -0.00 -1.26 -5.06 121.20 120.97 1u6f s ILE 50 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 60.65 59.50 1u6f s ILE 50 Cb 0.00 -3.41 0.00 0.00 -0.00 0.00 0.00 42.46 39.05 1u6f s ILE 50 CO 0.00 -0.20 0.00 -0.81 -0.00 0.00 0.00 174.94 173.93 1u6f n PRO 51 N -0.72 0.00 0.00 0.37 -0.04 -1.26 -4.22 135.00 129.13 1u6f n PRO 51 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1u6f n PRO 51 Cb 0.56 -0.05 0.70 0.00 -0.04 0.00 0.00 33.50 34.67 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 0.22 0.52 5.66 -1.26 -3.19 114.28 116.33 1u6f n THR 52 Ca 0.00 0.02 0.06 0.00 -3.05 0.00 0.00 64.05 61.08 1u6f n THR 52 Cb 0.00 -0.56 0.22 0.00 -1.55 0.00 0.00 70.33 68.44 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 1.12 -2.09 1.09 -1.04 -1.26 -4.67 114.28 106.14 1u6f n THR 53 Ca 0.13 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.05 60.99 1u6f n THR 53 Cb 0.22 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.71 3.70 -0.26 12.58 -7.23 -1.19 -4.90 120.40 121.39 1u6f s VAL 54 Ca 0.32 0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 61.30 1u6f s VAL 54 Cb 0.20 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.57 1u6f s VAL 54 CO 0.16 -0.15 -0.05 -1.81 -0.31 0.00 0.00 175.10 172.94 1u6f s ASP 55 N 3.56 4.44 0.61 4.85 1.11 -1.26 -4.92 116.67 125.06 1u6f s ASP 55 Ca 0.71 -0.93 0.31 0.00 0.18 0.00 0.00 52.55 52.81 1u6f s ASP 55 Cb -0.29 -1.68 1.73 0.00 1.07 0.00 0.00 42.92 43.76 1u6f s ASP 55 CO 0.28 -0.15 2.08 1.05 1.18 0.00 0.00 175.17 179.60 1u6f h GLU 56 N 8.02 0.00 0.35 8.23 4.11 -1.97 -1.78 114.58 131.53 1u6f h GLU 56 Ca -0.31 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 1u6f h GLU 56 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1u6f h GLU 56 CO 0.57 0.00 -0.17 0.28 0.07 0.00 0.00 179.01 179.76 1u6f h VAL 57 N 0.00 0.50 -0.63 -1.06 2.07 -1.96 0.77 116.25 115.93 1u6f h VAL 57 Ca 0.07 -0.69 0.13 0.00 0.82 0.00 0.00 66.70 67.04 1u6f h VAL 57 Cb 0.54 0.77 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 1u6f h VAL 57 CO -0.00 0.10 -0.03 1.56 0.02 0.00 0.00 177.57 179.23 1u6f h GLN 58 N -0.93 0.09 0.00 1.57 4.20 -1.75 0.34 115.11 118.63 1u6f h GLN 58 Ca -0.05 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1u6f h GLN 58 Cb 0.53 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1u6f h GLN 58 CO 0.08 0.06 -0.30 1.37 -0.67 0.00 0.00 178.83 179.37 1u6f h LEU 59 N 0.09 0.00 0.35 1.46 8.10 -1.55 -2.29 115.31 121.48 1u6f h LEU 59 Ca 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.31 1u6f h LEU 59 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1u6f h LEU 59 CO -0.56 0.30 -0.28 -0.09 -4.11 0.00 0.00 178.44 173.70 1u6f h ARG 60 N 0.00 -0.61 0.08 0.17 2.43 0.46 1.37 114.38 118.27 1u6f h ARG 60 Ca -0.00 0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.94 1u6f h ARG 60 Cb 1.15 0.14 0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1u6f h ARG 60 CO 0.04 -0.41 -1.11 1.96 -1.51 0.00 0.00 179.97 178.94 1u6f h GLN 61 N -0.64 0.61 -0.51 0.20 4.20 -1.36 0.04 115.11 117.65 1u6f h GLN 61 Ca -0.03 -0.76 -0.07 0.00 0.06 0.00 0.00 58.65 57.84 1u6f h GLN 61 Cb 0.56 0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1u6f h GLN 61 CO -0.01 1.34 0.03 1.25 -0.67 0.00 0.00 178.83 180.76 1u6f h LEU 62 N 0.23 0.86 0.00 1.46 5.85 -1.35 -1.98 115.31 120.38 1u6f h LEU 62 Ca -0.16 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 1u6f h LEU 62 Cb 1.79 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1u6f h LEU 62 CO 0.21 0.94 -0.55 -0.26 -0.34 0.00 0.00 178.44 178.44 1u6f h PHE 63 N 0.76 0.00 -0.27 1.25 -1.00 0.17 -3.33 116.94 114.53 1u6f h PHE 63 Ca 0.15 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.01 1u6f h PHE 63 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1u6f h PHE 63 CO 0.04 1.19 0.30 1.05 -1.61 0.00 0.00 178.31 179.28 1u6f h GLU 64 N -1.00 0.00 0.04 1.51 4.11 -0.98 -1.57 114.58 116.70 1u6f h GLU 64 Ca -0.15 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.30 1u6f h GLU 64 Cb 1.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1u6f h GLU 64 CO -0.09 0.00 -0.19 -0.09 0.07 0.00 0.00 179.01 178.71 1u6f h ARG 65 N 0.00 -0.32 -0.00 1.06 2.43 -1.46 -0.49 114.38 115.61 1u6f h ARG 65 Ca 0.13 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1u6f h ARG 65 Cb 0.73 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1u6f h ARG 65 CO -0.00 -0.21 -0.10 0.66 -1.51 0.00 0.00 179.97 178.81 1u6f n TYR 66 N -5.32 0.00 -3.01 2.20 4.01 -0.68 -4.68 117.16 109.68 1u6f n TYR 66 Ca -0.06 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1u6f n TYR 66 Cb 0.23 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u6f s GLY 67 N -2.63 -1.16 -0.27 2.72 0.00 -0.65 -4.69 107.32 100.64 1u6f s GLY 67 Ca 0.25 1.79 -0.42 0.00 0.00 0.00 0.00 44.72 46.33 1u6f s GLY 67 CO 0.50 4.18 1.55 -1.05 0.00 0.00 0.00 173.10 178.28 1u6f n PRO 68 N 4.57 0.58 -2.83 2.90 -0.02 -0.28 -3.85 135.00 136.07 1u6f n PRO 68 Ca 0.08 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1u6f n PRO 68 Cb 0.60 -1.80 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 1u6f n PRO 68 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1u6f s ILE 69 N 2.46 4.31 -0.14 4.25 -4.36 -1.26 -1.30 121.20 125.16 1u6f s ILE 69 Ca 0.98 1.66 -0.09 0.00 -0.26 0.00 0.00 60.65 62.94 1u6f s ILE 69 Cb -1.24 -3.88 -0.06 0.00 1.25 0.00 0.00 42.46 38.54 1u6f s ILE 69 CO 0.68 0.02 -0.21 1.21 0.24 0.00 0.00 174.94 176.88 1u6f n GLU 70 N 0.23 0.33 -4.03 0.37 2.13 0.29 -4.71 120.64 115.25 1u6f n GLU 70 Ca 0.03 0.14 -0.31 0.00 0.66 0.00 0.00 57.16 57.68 1u6f n GLU 70 Cb 0.51 -1.07 -0.15 0.00 0.27 0.00 0.00 31.44 31.00 1u6f n GLU 70 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1u6f s SER 71 N -6.32 4.50 -0.14 4.31 0.15 -1.01 -5.00 113.70 110.19 1u6f s SER 71 Ca -0.21 -1.66 -0.03 0.00 0.70 0.00 0.00 55.95 54.75 1u6f s SER 71 Cb 0.07 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1u6f s SER 71 CO 0.28 -0.27 -0.03 -0.69 1.20 0.00 0.00 173.24 173.73 1u6f s VAL 72 N 1.07 3.96 -0.18 4.45 1.01 -1.26 -0.61 120.40 128.84 1u6f s VAL 72 Ca -0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1u6f s VAL 72 Cb -0.19 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.53 1u6f s VAL 72 CO -0.07 0.52 0.60 -0.75 0.00 0.00 0.00 175.10 175.40 1u6f s LYS 73 N 0.06 0.77 -0.11 2.72 2.20 0.13 -5.01 119.74 120.50 1u6f s LYS 73 Ca 0.00 0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 56.16 1u6f s LYS 73 Cb -0.13 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.51 1u6f s LYS 73 CO 0.03 -0.14 0.22 0.42 -0.36 0.00 0.00 175.35 175.52 1u6f s ILE 74 N -0.09 5.35 -0.86 5.43 1.01 -1.26 0.24 121.20 131.02 1u6f s ILE 74 Ca -0.03 0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.79 1u6f s ILE 74 Cb -0.04 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.97 1u6f s ILE 74 CO 0.03 0.55 1.29 -0.69 0.00 0.00 0.00 174.94 176.12 1u6f s VAL 75 N -0.63 3.98 0.54 2.92 1.01 0.54 -4.85 120.40 123.92 1u6f s VAL 75 Ca 0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1u6f s VAL 75 Cb -0.13 -4.93 0.01 0.00 0.00 0.00 0.00 36.38 31.33 1u6f s VAL 75 CO 0.05 -1.80 0.81 0.00 0.00 0.00 0.00 175.10 174.16 1u6f s ASP 77 N -4.30 6.91 0.00 0.00 2.15 -0.62 -4.86 116.67 115.95 1u6f s ASP 77 Ca 0.53 1.77 0.19 0.00 0.43 0.00 0.00 52.55 55.47 1u6f s ASP 77 Cb -0.10 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.82 1u6f s ASP 77 CO 0.42 -0.78 1.62 -1.14 -0.17 0.00 0.00 175.17 175.12 1u6f n ARG 78 N 6.63 0.01 0.01 4.34 0.63 -1.26 -0.11 116.66 126.90 1u6f n ARG 78 Ca 0.14 0.16 -0.13 0.00 -0.92 0.00 0.00 57.85 57.11 1u6f n ARG 78 Cb 0.45 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.76 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 -0.07 -0.11 -0.14 4.81 -1.96 -3.35 114.58 113.76 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 0.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1u6f h GLU 79 CO 0.00 0.42 0.00 0.25 -0.73 0.00 0.00 179.01 178.95 1u6f n THR 80 N -4.88 1.00 -2.41 0.32 -2.24 -1.22 -4.98 114.28 99.88 1u6f n THR 80 Ca -0.09 -1.00 -0.13 0.00 -2.27 0.00 0.00 64.05 60.56 1u6f n THR 80 Cb 0.27 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.17 -2.17 -3.95 -0.78 5.12 0.84 -4.94 116.66 110.61 1u6f n ARG 81 Ca 0.04 0.62 -0.32 0.00 -1.93 0.00 0.00 57.85 56.26 1u6f n ARG 81 Cb 0.31 -5.22 -0.05 0.00 -1.16 0.00 0.00 32.46 26.34 1u6f n ARG 81 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1u6f s GLN 82 N -4.98 3.34 -0.02 5.56 -1.52 -1.14 -4.90 119.66 115.99 1u6f s GLN 82 Ca 0.00 -0.42 -0.30 0.00 -1.95 0.00 0.00 55.36 52.70 1u6f s GLN 82 Cb 0.00 -3.01 -0.07 0.00 -0.22 0.00 0.00 33.01 29.71 1u6f s GLN 82 CO 0.00 0.64 1.77 -1.12 -0.25 0.00 0.00 175.29 176.33 1u6f s SER 83 N -2.13 6.58 0.00 5.90 0.01 -1.26 -1.59 113.70 121.21 1u6f s SER 83 Ca 0.29 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1u6f s SER 83 Cb -0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1u6f s SER 83 CO 0.21 -0.97 0.00 0.54 0.41 0.00 0.00 173.24 173.43 1u6f n ARG 84 N 7.24 0.00 0.00 12.44 1.74 -1.26 -4.16 116.66 132.66 1u6f n ARG 84 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1u6f n ARG 84 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.88 3.82 -0.13 0.00 -1.19 -3.90 105.19 104.67 1u6f n GLY 85 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.50 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 0.30 1.61 -0.85 -1.09 -4.62 117.35 112.71 1u6f s TYR 86 Ca 0.00 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 1u6f s TYR 86 Cb 0.00 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.99 1u6f s TYR 86 CO 0.00 -0.60 0.21 0.41 -1.52 0.00 0.00 175.55 174.05 1u6f n GLY 87 N -0.66 2.93 3.08 5.49 0.00 0.61 0.20 105.19 116.84 1u6f n GLY 87 Ca -0.03 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.62 1u6f n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u6f s PHE 88 N -1.51 -0.38 -0.24 1.61 2.19 0.68 -1.55 117.98 118.78 1u6f s PHE 88 Ca 0.16 0.88 0.01 0.00 0.33 0.00 0.00 56.93 58.31 1u6f s PHE 88 Cb -0.01 0.07 0.06 0.00 -1.31 0.00 0.00 43.02 41.83 1u6f s PHE 88 CO 0.10 -0.26 -0.05 0.14 1.83 0.00 0.00 175.22 176.98 1u6f s VAL 89 N 1.43 1.49 -0.45 3.12 -7.23 0.28 0.19 120.40 119.23 1u6f s VAL 89 Ca -0.08 -1.21 -0.22 0.00 -1.81 0.00 0.00 61.98 58.65 1u6f s VAL 89 Cb -0.10 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.09 1u6f s VAL 89 CO -0.09 -0.12 0.74 -0.75 -0.31 0.00 0.00 175.10 174.56 1u6f s LYS 90 N 1.41 3.36 0.55 4.82 2.20 0.22 -1.13 119.74 131.17 1u6f s LYS 90 Ca -0.05 -0.20 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 1u6f s LYS 90 Cb -0.19 -3.95 -0.06 0.00 -1.51 0.00 0.00 37.83 32.13 1u6f s LYS 90 CO -0.07 -1.09 1.10 -0.06 -0.36 0.00 0.00 175.35 174.88 1u6f s PHE 91 N 3.14 2.76 0.62 4.03 0.40 0.60 0.10 117.98 129.63 1u6f s PHE 91 Ca 0.27 1.55 0.28 0.00 -0.60 0.00 0.00 56.93 58.43 1u6f s PHE 91 Cb -0.13 -3.21 1.45 0.00 0.51 0.00 0.00 43.02 41.64 1u6f s PHE 91 CO 0.21 -1.40 1.85 1.96 0.70 0.00 0.00 175.22 178.55 1u6f h GLN 92 N 1.08 0.00 -2.09 0.44 4.20 -1.48 -3.42 115.11 113.85 1u6f h GLN 92 Ca -0.49 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 1u6f h GLN 92 Cb 1.25 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.84 1u6f h GLN 92 CO 0.57 0.00 0.15 -1.12 -0.67 0.00 0.00 178.83 177.76 1u6f s SER 93 N -4.81 -0.62 0.57 1.46 0.01 -1.26 -5.00 113.70 104.05 1u6f s SER 93 Ca -0.04 0.68 0.28 0.00 1.31 0.00 0.00 55.95 58.18 1u6f s SER 93 Cb 0.13 0.54 1.53 0.00 0.21 0.00 0.00 66.02 68.42 1u6f s SER 93 CO 0.43 -0.59 2.01 1.23 0.41 0.00 0.00 173.24 176.73 1u6f h GLY 94 N 3.11 0.00 1.83 3.44 0.00 -1.82 0.17 103.07 109.81 1u6f h GLY 94 Ca -0.27 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.08 1u6f h GLY 94 CO 0.38 0.00 0.06 0.23 0.00 0.00 0.00 176.54 177.22 1u6f h SER 95 N 0.00 0.00 1.09 0.19 0.87 -1.95 0.33 113.55 114.08 1u6f h SER 95 Ca 0.17 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1u6f h SER 95 Cb 0.83 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1u6f h SER 95 CO -0.00 0.00 -0.87 0.28 -0.53 0.00 0.00 176.83 175.71 1u6f h SER 96 N 0.00 0.00 -0.67 6.23 0.02 -1.02 -3.29 113.55 114.82 1u6f h SER 96 Ca 0.03 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1u6f h SER 96 Cb 0.16 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1u6f h SER 96 CO -0.00 0.87 0.32 0.00 -1.14 0.00 0.00 176.83 176.88 1u6f h ALA 97 N 1.13 0.90 -0.97 3.77 0.00 -0.95 -0.24 119.26 122.90 1u6f h ALA 97 Ca -0.01 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1u6f h ALA 97 Cb 1.65 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1u6f h ALA 97 CO 0.11 -0.08 0.61 1.96 0.00 0.00 0.00 179.25 181.85 1u6f h GLN 98 N 0.55 0.66 0.00 0.00 4.20 -1.62 0.42 115.11 119.32 1u6f h GLN 98 Ca 0.33 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.84 1u6f h GLN 98 Cb 0.34 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1u6f h GLN 98 CO -0.26 0.44 -0.76 1.96 -0.67 0.00 0.00 178.83 179.54 1u6f h GLN 99 N 0.68 0.00 0.28 1.46 4.20 -1.27 -1.58 115.11 118.88 1u6f h GLN 99 Ca 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1u6f h GLN 99 Cb 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1u6f h GLN 99 CO -0.29 0.76 -0.13 0.00 -0.67 0.00 0.00 178.83 178.49 1u6f h ALA 100 N 1.24 -0.37 0.00 3.87 0.00 0.11 -0.71 119.26 123.40 1u6f h ALA 100 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1u6f h ALA 100 Cb 1.44 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1u6f h ALA 100 CO 0.10 -0.45 -0.18 0.82 0.00 0.00 0.00 179.25 179.53 1u6f h ILE 101 N -0.89 0.75 -0.07 0.00 1.08 -0.72 0.97 117.51 118.63 1u6f h ILE 101 Ca -0.04 -0.75 -0.18 0.00 -0.39 0.00 0.00 64.86 63.50 1u6f h ILE 101 Cb 0.51 1.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1u6f h ILE 101 CO 0.06 0.18 -0.67 0.00 -0.69 0.00 0.00 178.15 177.03 1u6f h ALA 102 N 1.82 0.17 0.00 1.87 0.00 -1.24 -3.34 119.26 118.53 1u6f h ALA 102 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1u6f h ALA 102 Cb 0.44 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 1u6f h ALA 102 CO 0.02 0.48 -0.54 0.41 0.00 0.00 0.00 179.25 179.62 1u6f n GLY 103 N 0.87 2.81 0.40 0.00 0.00 -0.28 -4.84 105.19 104.14 1u6f n GLY 103 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.46 0.44 -4.67 0.99 4.77 0.33 -4.86 117.00 113.53 1u6f n LEU 104 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1u6f n LEU 104 Cb 0.81 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 1u6f n LEU 104 CO -0.02 -0.02 1.57 0.21 -1.33 0.00 0.00 177.39 177.80 1u6f s ASN 105 N -3.59 6.45 -0.56 -1.43 2.47 -0.71 -0.79 114.94 116.78 1u6f s ASN 105 Ca 0.00 2.69 0.00 0.00 0.42 0.00 0.00 52.86 55.97 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 -1.04 0.00 0.61 -3.72 0.00 0.00 177.10 172.95 1u6f n GLY 106 N 4.46 0.72 3.35 1.21 0.00 0.33 -4.80 105.19 110.46 1u6f n GLY 106 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.59 0.33 -2.30 1.61 -0.00 0.14 -4.45 117.46 110.20 1u6f n PHE 107 Ca -0.05 -0.03 -0.35 0.00 -0.00 0.00 0.00 57.45 57.02 1u6f n PHE 107 Cb 0.30 -1.17 -0.03 0.00 -0.00 0.00 0.00 39.48 38.57 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 3.09 5.84 0.67 -2.13 2.20 -1.26 -0.17 114.94 123.19 1u6f s ASN 108 Ca 0.72 -1.88 -0.11 0.00 -0.94 0.00 0.00 52.86 50.64 1u6f s ASN 108 Cb -0.31 -2.58 -0.01 0.00 -2.00 0.00 0.00 41.25 36.35 1u6f s ASN 108 CO 0.23 -2.20 1.06 -0.51 -2.94 0.00 0.00 177.10 172.74 1u6f s ILE 109 N 7.89 4.11 0.60 0.54 2.07 0.44 -4.91 121.20 131.95 1u6f s ILE 109 Ca 0.61 0.69 0.28 0.00 -1.41 0.00 0.00 60.65 60.82 1u6f s ILE 109 Cb 0.01 -3.60 0.37 0.00 0.13 0.00 0.00 42.46 39.37 1u6f s ILE 109 CO 0.09 -0.90 1.78 0.25 -1.91 0.00 0.00 174.94 174.25 1u6f h LEU 110 N -0.56 0.00 0.00 8.50 7.12 -2.04 -2.71 115.31 125.62 1u6f h LEU 110 Ca -0.44 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 57.20 1u6f h LEU 110 Cb 1.22 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.29 1u6f h LEU 110 CO 0.61 0.00 -2.30 0.59 -0.13 0.00 0.00 178.44 177.21 1u6f n ASN 111 N -3.54 2.01 -1.75 1.25 5.03 -1.26 -5.09 115.26 111.91 1u6f n ASN 111 Ca 0.10 0.06 -0.06 0.00 0.87 0.00 0.00 54.58 55.55 1u6f n ASN 111 Cb 0.80 -0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 39.03 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1u6f n LYS 112 N -3.56 0.18 -3.94 3.52 -0.00 -1.02 -5.15 118.16 108.18 1u6f n LYS 112 Ca -0.43 -1.10 -0.29 0.00 -0.00 0.00 0.00 58.31 56.48 1u6f n LYS 112 Cb 0.88 0.95 -0.16 0.00 -0.00 0.00 0.00 35.03 36.71 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 -2.41 1.73 -0.78 -1.58 3.52 -1.26 0.17 118.95 118.35 1u6f s ARG 113 Ca 0.13 -0.68 -0.26 0.00 -0.13 0.00 0.00 55.73 54.78 1u6f s ARG 113 Cb 0.00 -2.22 0.03 0.00 -1.56 0.00 0.00 34.95 31.21 1u6f s ARG 113 CO 0.09 -0.43 1.30 -0.51 -0.81 0.00 0.00 175.30 174.94 1u6f s LEU 114 N 1.51 3.23 -0.26 -0.88 1.43 0.76 -4.68 118.68 119.79 1u6f s LEU 114 Ca -0.00 -0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 1u6f s LEU 114 Cb -0.16 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1u6f s LEU 114 CO -0.08 -1.79 0.81 -0.75 0.23 0.00 0.00 176.35 174.78 1u6f s LYS 115 N 5.61 4.13 -0.08 1.70 2.20 -0.85 0.12 119.74 132.56 1u6f s LYS 115 Ca 0.36 0.84 0.01 0.00 -0.36 0.00 0.00 55.97 56.83 1u6f s LYS 115 Cb -0.07 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1u6f s LYS 115 CO 0.12 -0.56 -0.10 0.08 -0.36 0.00 0.00 175.35 174.53 1u6f s VAL 116 N 2.87 1.05 -0.02 4.02 1.01 -1.25 0.11 120.40 128.19 1u6f s VAL 116 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1u6f s VAL 116 Cb -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1u6f s VAL 116 CO 0.09 0.35 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1u6f s ALA 117 N 1.06 0.65 0.63 5.51 0.00 0.24 -4.53 121.76 125.32 1u6f s ALA 117 Ca -0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 1u6f s ALA 117 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1u6f s ALA 117 CO -0.01 0.11 1.31 -0.51 0.00 0.00 0.00 175.76 176.65 1u6f s LEU 118 N 0.17 3.62 0.14 0.00 2.01 -1.26 0.33 118.68 123.68 1u6f s LEU 118 Ca -0.02 2.65 -0.18 0.00 0.01 0.00 0.00 54.13 56.59 1u6f s LEU 118 Cb -0.07 -4.56 -0.02 0.00 0.01 0.00 0.00 46.19 41.55 1u6f s LEU 118 CO -0.00 -1.94 1.78 0.00 1.01 0.00 0.00 176.35 177.19 1u6f h ALA 119 N 0.69 0.34 -4.72 4.21 0.00 -1.67 -3.45 119.26 114.67 1u6f h ALA 119 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1u6f h ALA 119 Cb 1.33 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1u6f h ALA 119 CO 0.54 -0.22 -1.21 0.00 0.00 0.00 0.00 179.25 178.35 1u6f n ALA 120 N -2.20 -2.80 -3.56 0.00 0.00 -1.26 -5.06 120.51 105.64 1u6f n ALA 120 Ca -0.02 1.32 -0.14 0.00 0.00 0.00 0.00 53.44 54.61 1u6f n ALA 120 Cb 0.05 -2.85 -0.15 0.00 0.00 0.00 0.00 19.45 16.50 1u6f n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u6f s SER 121 N -0.60 -0.05 0.00 0.00 1.04 -1.26 -5.13 113.70 107.70 1u6f s SER 121 Ca -0.13 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1u6f s SER 121 Cb 0.01 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1u6f s SER 121 CO 0.34 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1u6f n GLY 122 N 3.91 1.59 3.50 7.32 0.00 -1.26 -5.04 105.19 115.22 1u6f n GLY 122 Ca -0.23 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1u6f n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u6f s HIS 123 N -0.89 2.56 -0.25 1.61 3.76 -1.26 -5.04 115.29 115.78 1u6f s HIS 123 Ca 0.00 -0.25 0.15 0.00 -0.15 0.00 0.00 55.06 54.81 1u6f s HIS 123 Cb 0.00 -1.35 0.47 0.00 1.11 0.00 0.00 32.58 32.81 1u6f s HIS 123 CO 0.00 0.40 1.16 0.94 -0.85 0.00 0.00 174.74 176.39 1u6f n GLN 124 N 0.74 2.39 -1.53 1.40 -0.06 -1.26 -5.10 117.38 113.97 1u6f n GLN 124 Ca -0.15 -3.65 0.00 0.00 -2.00 0.00 0.00 57.00 51.20 1u6f n GLN 124 Cb 0.53 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 1u6f n GLN 124 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1u6f n ARG 125 N -0.60 -4.38 0.00 3.69 1.74 -1.26 -5.00 116.66 110.84 1u6f n ARG 125 Ca 0.24 3.27 0.00 0.00 -0.77 0.00 0.00 57.85 60.59 1u6f n ARG 125 Cb 0.89 -3.68 0.00 0.00 -1.02 0.00 0.00 32.46 28.65 1u6f n ARG 125 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1u6f n PRO 126 N -0.90 -0.16 0.00 5.56 -0.04 -1.26 -5.03 135.00 133.18 1u6f n PRO 126 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1u6f n PRO 126 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1u6f n PRO 126 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u6f n GLY 127 N 3.80 -2.18 5.00 0.55 0.00 -1.26 -4.70 105.19 106.40 1u6f n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u6f n GLY 127 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u6f n ILE 128 N 0.00 0.00 -1.10 -0.61 2.08 -1.26 -3.90 119.36 114.57 1u6f n ILE 128 Ca 0.00 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.05 1u6f n ILE 128 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 38.96 1u6f n ILE 128 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1u6f n ALA 129 N 0.00 5.73 -2.50 -1.39 0.00 -1.26 -4.79 120.51 116.30 1u6f n ALA 129 Ca 0.00 -2.63 -0.10 0.00 0.00 0.00 0.00 53.44 50.71 1u6f n ALA 129 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.38 0.10 1.88 0.00 0.00 -1.26 -4.82 105.19 100.71 1u6f n GLY 130 Ca 0.48 -0.40 0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.30 -3.35 0.00 4.61 0.00 -1.25 -4.94 120.51 113.28 1u6f n ALA 131 Ca -0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1u6f n ALA 131 Cb 0.56 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1u6f n ALA 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u6f n VAL 132 N -3.87 0.00 0.00 0.00 0.31 -1.26 -5.01 118.33 108.50 1u6f n VAL 132 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1u6f n VAL 132 Cb 0.57 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u6f n GLY 133 N 1.88 0.26 2.91 2.92 0.00 -1.26 -5.01 105.19 106.88 1u6f n GLY 133 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -6.00 0.00 1.61 2.03 -1.26 -4.95 116.55 107.98 1u6f n ASP 134 Ca 0.00 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1u6f n ASP 134 Cb 0.00 -4.83 0.00 0.00 -0.72 0.00 0.00 41.12 35.57 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u6f n GLY 135 N -1.45 1.25 2.66 0.27 0.00 -1.26 -5.15 105.19 101.51 1u6f n GLY 135 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.72 0.00 1.61 3.04 -1.26 -5.13 114.94 114.93 1u6f s ASN 136 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 52.86 52.63 1u6f s ASN 136 Cb 0.00 -0.09 0.00 0.00 -1.54 0.00 0.00 41.25 39.62 1u6f s ASN 136 CO 0.00 -0.31 0.00 0.61 -3.04 0.00 0.00 177.10 174.36 1u6f n GLY 137 N 5.29 -0.34 3.04 1.21 0.00 -1.26 -5.16 105.19 107.98 1u6f n GLY 137 Ca -0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1u6f n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u6f s TYR 138 N -2.00 0.90 -2.00 1.61 2.02 -1.26 -5.30 117.35 111.33 1u6f s TYR 138 Ca 0.00 -0.19 0.30 0.00 -0.37 0.00 0.00 57.07 56.81 1u6f s TYR 138 Cb 0.00 -0.57 1.79 0.00 -0.40 0.00 0.00 41.96 42.77 1u6f s TYR 138 CO 0.00 -0.01 2.12 1.28 -1.57 0.00 0.00 175.55 177.36