#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6f n SER 2 N 0.00 0.87 -4.01 7.83 7.64 -1.26 -5.11 113.62 119.58 1u6f n SER 2 Ca 0.00 -2.06 -0.08 0.00 1.01 0.00 0.00 58.87 57.74 1u6f n SER 2 Cb 0.00 -0.21 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 1u6f n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u6f s GLN 3 N -2.86 0.58 -0.30 1.43 -2.07 -1.26 -5.14 119.66 110.05 1u6f s GLN 3 Ca 0.23 -1.00 -0.02 0.00 -1.82 0.00 0.00 55.36 52.75 1u6f s GLN 3 Cb 0.35 0.21 0.10 0.00 -1.09 0.00 0.00 33.01 32.58 1u6f s GLN 3 CO -0.06 -0.13 0.11 -1.50 -1.32 0.00 0.00 175.29 172.39 1u6f s ILE 4 N -3.25 0.54 -0.29 3.63 2.07 -1.26 -5.10 121.20 117.53 1u6f s ILE 4 Ca 0.01 -1.14 -0.37 0.00 -1.41 0.00 0.00 60.65 57.74 1u6f s ILE 4 Cb 0.03 -1.40 -0.13 0.00 0.13 0.00 0.00 42.46 41.09 1u6f s ILE 4 CO -0.08 -0.67 2.03 -2.65 -1.91 0.00 0.00 174.94 171.66 1u6f n PRO 5 N 4.99 1.24 0.00 3.50 -0.02 -1.26 -4.69 135.00 138.76 1u6f n PRO 5 Ca -0.04 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1u6f n PRO 5 Cb 0.42 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1u6f n PRO 5 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1u6f n LEU 6 N 8.17 0.00 -3.62 2.45 -0.00 -1.26 -4.90 117.00 117.84 1u6f n LEU 6 Ca 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.32 1u6f n LEU 6 Cb 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.57 1u6f n LEU 6 CO 0.77 -0.23 0.42 0.54 -0.00 0.00 0.00 177.39 178.89 1u6f s VAL 7 N 0.00 -0.33 -0.04 1.47 0.11 -1.26 -5.09 120.40 115.26 1u6f s VAL 7 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1u6f s VAL 7 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1u6f s VAL 7 CO 0.00 0.00 -0.10 -1.20 -3.33 0.00 0.00 175.10 170.47 1u6f n SER 8 N 4.59 0.66 -4.87 3.54 7.64 -1.26 -5.03 113.62 118.89 1u6f n SER 8 Ca -0.16 0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 1u6f n SER 8 Cb 0.55 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1u6f n SER 8 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1u6f s GLN 9 N -1.64 3.78 0.02 1.43 0.74 -1.26 -5.09 119.66 117.65 1u6f s GLN 9 Ca -0.08 0.58 0.07 0.00 0.05 0.00 0.00 55.36 55.97 1u6f s GLN 9 Cb 0.01 -2.30 -0.02 0.00 1.10 0.00 0.00 33.01 31.80 1u6f s GLN 9 CO 0.12 -0.16 -0.20 0.71 -0.55 0.00 0.00 175.29 175.22 1u6f s TYR 10 N -2.54 1.72 -0.04 1.67 2.02 -1.26 -5.07 117.35 113.85 1u6f s TYR 10 Ca 0.53 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.75 1u6f s TYR 10 Cb -0.10 -1.05 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 1u6f s TYR 10 CO 0.35 0.05 0.55 -0.44 -1.57 0.00 0.00 175.55 174.49 1u6f h ASP 11 N 5.13 -0.39 -0.13 2.29 5.19 -2.06 -3.37 116.42 123.08 1u6f h ASP 11 Ca -0.41 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 55.89 1u6f h ASP 11 Cb 1.16 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1u6f h ASP 11 CO 0.45 0.02 -0.42 1.55 -3.12 0.00 0.00 179.24 177.72 1u6f h PRO 12 N -1.06 0.51 0.00 3.56 0.13 -2.06 -3.46 132.00 129.62 1u6f h PRO 12 Ca -0.05 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1u6f h PRO 12 Cb 0.35 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1u6f h PRO 12 CO 0.08 1.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.51 1u6f n TYR 13 N -4.29 0.00 -0.05 1.56 4.01 -1.26 -4.86 117.16 112.28 1u6f n TYR 13 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1u6f n TYR 13 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1u6f n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u6f n GLY 14 N 0.00 -3.00 0.21 2.72 0.00 -1.26 -4.99 105.19 98.86 1u6f n GLY 14 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.07 0.55 0.00 1.61 6.02 -1.26 -5.03 117.38 118.20 1u6f n GLN 15 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1u6f n GLN 15 Cb 0.00 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -4.11 0.00 -4.03 5.09 5.66 -1.26 -5.16 114.28 110.47 1u6f n THR 16 Ca -0.50 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.48 1u6f n THR 16 Cb 0.86 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1u6f n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f n ALA 17 N -0.75 0.03 -3.91 1.79 0.00 -1.26 -5.12 120.51 111.28 1u6f n ALA 17 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1u6f n ALA 17 Cb 0.00 0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.09 1.69 -0.06 0.00 -0.21 -1.26 -5.03 119.66 112.69 1u6f s GLN 18 Ca 0.01 -2.28 -0.00 0.00 0.02 0.00 0.00 55.36 53.10 1u6f s GLN 18 Cb 0.00 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.98 1u6f s GLN 18 CO 0.00 -1.08 -0.02 -0.51 -2.12 0.00 0.00 175.29 171.57 1u6f s LEU 19 N 0.17 0.92 0.35 2.90 1.02 -1.26 -5.14 118.68 117.64 1u6f s LEU 19 Ca 0.15 -0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.24 1u6f s LEU 19 Cb -0.24 -0.46 -0.02 0.00 0.02 0.00 0.00 46.19 45.50 1u6f s LEU 19 CO -0.03 -0.13 0.36 -1.10 0.02 0.00 0.00 176.35 175.46 1u6f s GLN 20 N 1.52 1.86 -0.10 1.70 -1.52 -1.26 -5.07 119.66 116.79 1u6f s GLN 20 Ca -0.02 -1.97 0.11 0.00 -1.95 0.00 0.00 55.36 51.54 1u6f s GLN 20 Cb -0.13 0.37 -0.24 0.00 -0.22 0.00 0.00 33.01 32.79 1u6f s GLN 20 CO -0.03 -0.72 0.44 1.04 -0.25 0.00 0.00 175.29 175.77 1u6f n GLN 21 N -0.63 0.66 -1.47 2.91 3.00 -1.26 -5.08 117.38 115.51 1u6f n GLN 21 Ca 0.06 0.21 0.20 0.00 -0.01 0.00 0.00 57.00 57.46 1u6f n GLN 21 Cb 0.62 -1.70 -0.05 0.00 0.00 0.00 0.00 30.24 29.10 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1u6f n LEU 22 N -3.03 -0.74 -4.36 1.08 4.77 -1.26 -4.99 117.00 108.46 1u6f n LEU 22 Ca -0.24 1.64 -0.19 0.00 -0.03 0.00 0.00 56.01 57.19 1u6f n LEU 22 Cb 1.08 -4.48 -0.09 0.00 -2.33 0.00 0.00 43.42 37.60 1u6f n LEU 22 CO 0.43 -3.85 -0.22 -1.10 -1.33 0.00 0.00 177.39 171.33 1u6f s GLN 23 N -2.39 1.60 0.80 3.23 -0.21 -1.26 -5.16 119.66 116.27 1u6f s GLN 23 Ca 0.00 -1.91 -0.12 0.00 0.02 0.00 0.00 55.36 53.36 1u6f s GLN 23 Cb 0.00 -0.27 0.07 0.00 1.00 0.00 0.00 33.01 33.81 1u6f s GLN 23 CO 0.00 -0.39 1.11 1.14 -2.12 0.00 0.00 175.29 175.03 1u6f s GLN 24 N -3.87 2.06 -0.36 2.91 -2.07 -1.26 -5.04 119.66 112.04 1u6f s GLN 24 Ca 0.35 0.50 -0.04 0.00 -1.82 0.00 0.00 55.36 54.34 1u6f s GLN 24 Cb 0.06 -1.93 0.07 0.00 -1.09 0.00 0.00 33.01 30.12 1u6f s GLN 24 CO 0.16 -1.60 0.13 -0.65 -1.32 0.00 0.00 175.29 172.00 1u6f s GLN 25 N -5.25 2.37 -0.11 9.60 -0.21 -1.26 -4.84 119.66 119.95 1u6f s GLN 25 Ca 0.61 -1.44 0.04 0.00 0.02 0.00 0.00 55.36 54.59 1u6f s GLN 25 Cb -0.13 -3.46 0.14 0.00 1.00 0.00 0.00 33.01 30.55 1u6f s GLN 25 CO 0.53 -0.82 0.96 0.00 -2.12 0.00 0.00 175.29 173.84 1u6f n GLN 26 N 4.70 0.46 -3.67 2.91 10.64 -1.26 -5.12 117.38 126.04 1u6f n GLN 26 Ca -0.09 -0.78 -0.11 0.00 -1.83 0.00 0.00 57.00 54.19 1u6f n GLN 26 Cb 0.43 0.41 -0.11 0.00 -0.86 0.00 0.00 30.24 30.11 1u6f n GLN 26 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1u6f s GLN 27 N 0.04 0.28 0.33 2.61 2.00 -1.26 -5.09 119.66 118.57 1u6f s GLN 27 Ca 0.03 0.87 0.00 0.00 -2.00 0.00 0.00 55.36 54.26 1u6f s GLN 27 Cb 0.15 0.13 0.00 0.00 0.80 0.00 0.00 33.01 34.09 1u6f s GLN 27 CO -0.04 -0.24 0.00 0.94 -0.50 0.00 0.00 175.29 175.45 1u6f n GLN 28 N 5.07 -4.39 -0.57 1.67 7.27 -1.26 -4.93 117.38 120.24 1u6f n GLN 28 Ca -0.12 3.17 -0.29 0.00 0.07 0.00 0.00 57.00 59.83 1u6f n GLN 28 Cb 0.51 -3.50 0.22 0.00 2.41 0.00 0.00 30.24 29.88 1u6f n GLN 28 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1u6f s HIS 29 N -1.92 1.40 -0.41 3.69 -3.43 -1.26 -5.02 115.29 108.34 1u6f s HIS 29 Ca 0.00 1.44 0.01 0.00 -0.80 0.00 0.00 55.06 55.72 1u6f s HIS 29 Cb 0.00 -3.19 0.14 0.00 -1.43 0.00 0.00 32.58 28.10 1u6f s HIS 29 CO 0.00 -3.53 0.24 0.96 -2.00 0.00 0.00 174.74 170.41 1u6f s ILE 30 N -2.51 0.93 0.83 -5.38 -4.36 -1.26 -5.13 121.20 104.32 1u6f s ILE 30 Ca 0.68 -2.28 -0.15 0.00 -0.26 0.00 0.00 60.65 58.64 1u6f s ILE 30 Cb -0.24 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 1u6f s ILE 30 CO 0.62 -0.95 0.46 -2.65 0.24 0.00 0.00 174.94 172.66 1u6f n PRO 31 N 3.67 0.03 -0.81 0.37 -0.02 -1.26 -4.76 135.00 132.22 1u6f n PRO 31 Ca 0.11 0.06 -0.28 0.00 -2.02 0.00 0.00 63.50 61.37 1u6f n PRO 31 Cb 0.36 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 -1.13 1.70 -4.39 0.52 -0.04 -1.26 -4.83 135.00 125.57 1u6f n PRO 32 Ca 0.08 -1.50 -0.20 0.00 -0.04 0.00 0.00 63.50 61.85 1u6f n PRO 32 Cb 0.52 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.31 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 4.11 1.43 0.16 0.52 2.01 -1.26 -5.09 115.64 117.51 1u6f s THR 33 Ca 0.43 -2.09 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1u6f s THR 33 Cb 0.11 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1u6f s THR 33 CO 0.02 -0.33 0.00 1.67 -0.69 0.00 0.00 174.62 175.29 1u6f n GLN 34 N -0.51 -1.40 -3.05 4.92 7.27 -1.26 -4.97 117.38 118.38 1u6f n GLN 34 Ca -0.06 0.93 -0.03 0.00 0.07 0.00 0.00 57.00 57.91 1u6f n GLN 34 Cb 0.63 -1.71 0.01 0.00 2.41 0.00 0.00 30.24 31.58 1u6f n GLN 34 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1u6f n MET 35 N -3.04 -1.44 -3.10 3.69 1.56 -1.26 -4.99 117.12 108.53 1u6f n MET 35 Ca 0.00 1.36 -0.25 0.00 -0.27 0.00 0.00 57.70 58.54 1u6f n MET 35 Cb 0.32 -5.66 -0.05 0.00 2.15 0.00 0.00 33.22 29.98 1u6f n MET 35 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1u6f n ASN 36 N -2.00 3.42 -3.26 6.12 3.02 -1.26 -4.98 115.26 116.32 1u6f n ASN 36 Ca -0.01 -3.45 -0.28 0.00 -0.03 0.00 0.00 54.58 50.81 1u6f n ASN 36 Cb 0.52 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1u6f n ASN 36 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1u6f n PRO 37 N 0.18 2.32 -4.01 3.52 -0.04 -1.26 -4.89 135.00 130.83 1u6f n PRO 37 Ca 0.29 -1.66 -0.35 0.00 -0.04 0.00 0.00 63.50 61.74 1u6f n PRO 37 Cb 0.45 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.26 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 3.35 3.30 0.44 0.54 0.41 -1.26 -5.00 118.70 120.48 1u6f s GLU 38 Ca 0.47 -0.26 0.25 0.00 -0.41 0.00 0.00 54.97 55.01 1u6f s GLU 38 Cb 0.12 -3.05 0.73 0.00 -1.78 0.00 0.00 34.13 30.14 1u6f s GLU 38 CO -0.02 0.73 1.74 -1.00 -0.49 0.00 0.00 175.26 176.22 1u6f h PRO 39 N 4.72 0.00 -0.24 0.39 0.13 -2.01 -3.18 132.00 131.81 1u6f h PRO 39 Ca -0.52 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.67 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 0.60 0.15 0.24 -0.44 -0.23 0.00 0.00 178.00 178.31 1u6f h ASP 40 N 0.00 0.00 -0.81 1.44 5.19 -1.97 0.74 116.42 121.01 1u6f h ASP 40 Ca -0.00 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.01 1u6f h ASP 40 Cb 0.86 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.14 1u6f h ASP 40 CO 0.02 0.00 0.50 1.33 -3.12 0.00 0.00 179.24 177.97 1u6f n VAL 41 N -3.92 2.81 -0.09 -1.35 0.24 -1.20 -4.15 118.33 110.67 1u6f n VAL 41 Ca 0.03 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.64 1u6f n VAL 41 Cb 0.37 -0.53 -0.12 0.00 -1.47 0.00 0.00 33.84 32.09 1u6f n VAL 41 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1u6f n LEU 42 N -0.76 1.14 0.02 1.34 4.77 0.25 -4.34 117.00 119.43 1u6f n LEU 42 Ca 0.48 -0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 1u6f n LEU 42 Cb 1.45 -0.03 0.24 0.00 -2.33 0.00 0.00 43.42 42.75 1u6f n LEU 42 CO 0.49 0.60 0.67 -2.11 -1.33 0.00 0.00 177.39 175.70 1u6f n ARG 43 N -2.83 0.03 -2.33 3.23 1.85 -1.26 -4.56 116.66 110.79 1u6f n ARG 43 Ca -0.32 0.38 -0.42 0.00 -1.00 0.00 0.00 57.85 56.49 1u6f n ARG 43 Cb 1.00 -1.56 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 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 -3.18 6.09 -0.23 2.89 3.04 -1.26 -1.61 114.94 120.68 1u6f s ASN 44 Ca 0.04 0.47 -0.05 0.00 0.04 0.00 0.00 52.86 53.36 1u6f s ASN 44 Cb 0.06 -2.54 -0.01 0.00 -1.54 0.00 0.00 41.25 37.22 1u6f s ASN 44 CO 0.18 -1.71 -0.02 -0.76 -3.04 0.00 0.00 177.10 171.75 1u6f s LEU 45 N 6.23 3.02 -0.44 3.21 2.01 -0.93 -1.84 118.68 129.94 1u6f s LEU 45 Ca 0.57 -0.36 -0.20 0.00 0.01 0.00 0.00 54.13 54.15 1u6f s LEU 45 Cb -0.12 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.33 1u6f s LEU 45 CO 0.27 -0.03 0.58 -0.32 1.01 0.00 0.00 176.35 177.86 1u6f s MET 46 N 1.51 3.21 -0.11 1.70 -2.45 0.33 -0.80 119.30 122.68 1u6f s MET 46 Ca 0.06 -0.52 -0.05 0.00 -1.25 0.00 0.00 55.69 53.93 1u6f s MET 46 Cb -0.14 -3.96 -0.04 0.00 1.25 0.00 0.00 34.83 31.94 1u6f s MET 46 CO -0.02 -0.97 0.07 0.54 1.05 0.00 0.00 175.02 175.69 1u6f s VAL 47 N 2.59 4.89 -0.01 10.11 0.11 -0.37 0.11 120.40 137.84 1u6f s VAL 47 Ca 0.19 -0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 1u6f s VAL 47 Cb -0.15 -3.11 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 1u6f s VAL 47 CO 0.17 0.59 0.18 0.21 -3.33 0.00 0.00 175.10 172.92 1u6f s ASN 48 N -0.78 -0.04 0.16 3.54 2.47 0.21 0.22 114.94 120.72 1u6f s ASN 48 Ca 0.13 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.32 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 -0.35 0.00 0.00 -3.72 0.00 0.00 177.10 173.05 1u6f n TYR 49 N 1.58 -2.90 -3.43 0.43 9.36 -1.26 -2.11 117.16 118.83 1u6f n TYR 49 Ca -0.21 0.57 -0.20 0.00 3.32 0.00 0.00 57.90 61.37 1u6f n TYR 49 Cb 0.56 1.66 -0.02 0.00 -0.63 0.00 0.00 39.34 40.91 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 -1.46 2.74 0.00 2.97 -5.25 -1.26 -5.07 121.20 113.87 1u6f s ILE 50 Ca 0.00 -1.26 0.00 0.00 -0.99 0.00 0.00 60.65 58.40 1u6f s ILE 50 Cb 0.00 -3.00 0.00 0.00 2.95 0.00 0.00 42.46 42.41 1u6f s ILE 50 CO 0.00 0.00 0.00 -0.81 -1.79 0.00 0.00 174.94 172.34 1u6f n PRO 51 N -1.62 0.00 0.08 0.37 -0.04 -1.26 -4.38 135.00 128.15 1u6f n PRO 51 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 1u6f n PRO 51 Cb 0.61 -0.13 0.46 0.00 -0.04 0.00 0.00 33.50 34.40 1u6f n PRO 51 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1u6f n THR 52 N -0.51 0.50 1.20 0.52 -1.04 -1.26 -3.11 114.28 110.57 1u6f n THR 52 Ca 0.00 -0.14 0.04 0.00 -2.04 0.00 0.00 64.05 61.91 1u6f n THR 52 Cb 0.00 -0.65 0.12 0.00 -1.82 0.00 0.00 70.33 67.98 1u6f n THR 52 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1u6f n THR 53 N -2.05 0.33 -2.08 12.58 -1.04 -1.26 -4.86 114.28 115.90 1u6f n THR 53 Ca 0.05 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 1u6f n THR 53 Cb 0.38 0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1u6f n THR 53 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1u6f s VAL 54 N -1.67 3.59 -0.27 12.58 0.11 -1.19 -4.88 120.40 128.68 1u6f s VAL 54 Ca 0.17 0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.81 1u6f s VAL 54 Cb 0.09 -3.76 0.03 0.00 -1.53 0.00 0.00 36.38 31.21 1u6f s VAL 54 CO 0.12 -0.46 -0.03 -1.81 -3.33 0.00 0.00 175.10 169.58 1u6f s ASP 55 N 5.39 4.57 0.62 3.54 1.11 -1.26 -4.95 116.67 125.68 1u6f s ASP 55 Ca 0.75 -1.02 0.30 0.00 0.18 0.00 0.00 52.55 52.76 1u6f s ASP 55 Cb -0.21 -1.69 1.67 0.00 1.07 0.00 0.00 42.92 43.76 1u6f s ASP 55 CO 0.33 -0.18 2.02 1.05 1.18 0.00 0.00 175.17 179.57 1u6f h GLU 56 N 8.01 0.00 0.35 8.23 4.11 -1.95 -1.81 114.58 131.53 1u6f h GLU 56 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 1u6f h GLU 56 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1u6f h GLU 56 CO 0.56 0.00 -0.17 0.28 0.07 0.00 0.00 179.01 179.75 1u6f h VAL 57 N 0.00 0.48 -0.95 -1.06 2.07 -1.97 0.80 116.25 115.62 1u6f h VAL 57 Ca 0.09 -0.68 0.20 0.00 0.82 0.00 0.00 66.70 67.13 1u6f h VAL 57 Cb 0.68 0.74 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 1u6f h VAL 57 CO -0.00 0.10 0.53 -0.61 0.02 0.00 0.00 177.57 177.61 1u6f h GLN 58 N -0.94 0.60 0.00 1.57 4.15 -1.76 0.53 115.11 119.26 1u6f h GLN 58 Ca -0.05 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.15 1u6f h GLN 58 Cb 0.53 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1u6f h GLN 58 CO 0.08 0.40 -0.87 -0.07 -1.93 0.00 0.00 178.83 176.44 1u6f h LEU 59 N 0.62 0.00 0.22 -2.39 3.38 -1.48 -1.33 115.31 114.33 1u6f h LEU 59 Ca 0.57 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.54 1u6f h LEU 59 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1u6f h LEU 59 CO -0.43 0.87 -0.24 -0.09 0.09 0.00 0.00 178.44 178.64 1u6f h ARG 60 N 0.00 -0.48 0.16 1.13 1.12 0.57 1.52 114.38 118.39 1u6f h ARG 60 Ca -0.01 0.03 -0.30 0.00 -1.11 0.00 0.00 59.98 58.59 1u6f h ARG 60 Cb 1.60 0.11 0.03 0.00 -0.01 0.00 0.00 29.97 31.70 1u6f h ARG 60 CO 0.11 -0.32 -1.30 1.96 -3.11 0.00 0.00 179.97 177.31 1u6f h GLN 61 N -0.50 0.54 -0.40 0.20 4.20 -1.27 -0.92 115.11 116.96 1u6f h GLN 61 Ca 0.00 -0.79 -0.15 0.00 0.06 0.00 0.00 58.65 57.77 1u6f h GLN 61 Cb 0.48 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 1u6f h GLN 61 CO -0.07 1.36 -0.33 1.25 -0.67 0.00 0.00 178.83 180.37 1u6f h LEU 62 N 0.21 0.97 0.00 1.46 5.85 -1.15 -2.43 115.31 120.21 1u6f h LEU 62 Ca -0.20 -0.41 -0.15 0.00 0.84 0.00 0.00 57.88 57.96 1u6f h LEU 62 Cb 1.98 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1u6f h LEU 62 CO 0.24 1.20 -0.79 -0.26 -0.34 0.00 0.00 178.44 178.49 1u6f h PHE 63 N 0.77 0.00 0.00 1.25 -1.00 0.21 -3.35 116.94 114.81 1u6f h PHE 63 Ca 0.08 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1u6f h PHE 63 Cb 0.91 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.47 1u6f h PHE 63 CO 0.06 1.31 -0.00 1.05 -1.61 0.00 0.00 178.31 179.11 1u6f h GLU 64 N -1.00 0.00 -0.95 1.51 9.09 -1.14 -2.05 114.58 120.04 1u6f h GLU 64 Ca -0.22 0.00 0.18 0.00 0.05 0.00 0.00 59.36 59.38 1u6f h GLU 64 Cb 1.19 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.21 1u6f h GLU 64 CO -0.13 0.00 0.61 0.07 0.05 0.00 0.00 179.01 179.61 1u6f h ARG 65 N 0.00 0.61 0.00 1.06 0.11 -1.57 0.18 114.38 114.78 1u6f h ARG 65 Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1u6f h ARG 65 Cb 0.01 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1u6f h ARG 65 CO 0.00 0.41 -0.88 0.66 0.10 0.00 0.00 179.97 180.26 1u6f n TYR 66 N -4.62 0.41 -3.15 4.08 4.01 -0.78 -4.84 117.16 112.26 1u6f n TYR 66 Ca 0.21 0.12 0.06 0.00 -0.16 0.00 0.00 57.90 58.12 1u6f n TYR 66 Cb 0.60 -0.55 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 -3.69 -0.89 0.05 2.72 0.00 0.56 -4.82 107.32 101.25 1u6f s GLY 67 Ca 0.04 2.18 -0.38 0.00 0.00 0.00 0.00 44.72 46.57 1u6f s GLY 67 CO 0.77 4.11 1.15 -1.05 0.00 0.00 0.00 173.10 178.08 1u6f n PRO 68 N 5.11 0.51 -2.84 2.90 -0.02 -0.74 -4.10 135.00 135.82 1u6f n PRO 68 Ca 0.09 0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 1u6f n PRO 68 Cb 0.58 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.11 4.31 -0.26 4.25 -4.36 -1.26 -2.55 121.20 121.44 1u6f s ILE 69 Ca 0.86 1.65 -0.10 0.00 -0.26 0.00 0.00 60.65 62.80 1u6f s ILE 69 Cb -1.11 -3.88 -0.14 0.00 1.25 0.00 0.00 42.46 38.58 1u6f s ILE 69 CO 0.53 0.03 -0.26 1.21 0.24 0.00 0.00 174.94 176.69 1u6f n GLU 70 N 0.26 0.61 -3.64 0.37 2.13 0.38 -4.77 120.64 115.99 1u6f n GLU 70 Ca 0.03 0.25 -0.28 0.00 0.66 0.00 0.00 57.16 57.82 1u6f n GLU 70 Cb 0.51 -1.52 -0.16 0.00 0.27 0.00 0.00 31.44 30.54 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 -7.17 3.05 -0.11 4.31 0.01 -1.03 -5.02 113.70 107.73 1u6f s SER 71 Ca -0.37 -1.00 -0.03 0.00 1.31 0.00 0.00 55.95 55.87 1u6f s SER 71 Cb 0.12 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1u6f s SER 71 CO 0.54 -0.37 -0.01 0.54 0.41 0.00 0.00 173.24 174.34 1u6f s VAL 72 N 1.99 4.17 0.10 3.43 0.11 -1.26 -1.30 120.40 127.63 1u6f s VAL 72 Ca 0.04 -0.28 -0.20 0.00 -2.93 0.00 0.00 61.98 58.60 1u6f s VAL 72 Cb -0.16 -2.78 0.05 0.00 -1.53 0.00 0.00 36.38 31.96 1u6f s VAL 72 CO -0.19 0.56 0.50 -0.75 -3.33 0.00 0.00 175.10 171.88 1u6f s LYS 73 N -0.39 1.10 -0.04 1.54 2.20 -0.04 -4.99 119.74 119.12 1u6f s LYS 73 Ca 0.07 -0.43 -0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1u6f s LYS 73 Cb -0.12 0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1u6f s LYS 73 CO 0.02 -0.43 0.01 0.42 -0.36 0.00 0.00 175.35 175.01 1u6f s ILE 74 N -3.15 4.29 -0.55 5.43 1.01 -1.26 0.26 121.20 127.22 1u6f s ILE 74 Ca -0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.02 1u6f s ILE 74 Cb 0.00 -2.86 0.07 0.00 0.01 0.00 0.00 42.46 39.67 1u6f s ILE 74 CO -0.07 0.49 0.74 -0.69 0.00 0.00 0.00 174.94 175.40 1u6f s VAL 75 N -1.00 4.70 1.03 2.92 1.01 0.29 -4.85 120.40 124.51 1u6f s VAL 75 Ca 0.17 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1u6f s VAL 75 Cb -0.11 -4.43 0.21 0.00 0.00 0.00 0.00 36.38 32.04 1u6f s VAL 75 CO 0.07 -1.01 1.17 0.00 0.00 0.00 0.00 175.10 175.32 1u6f s ASP 77 N -4.12 6.93 0.19 0.00 2.15 0.54 -4.77 116.67 117.60 1u6f s ASP 77 Ca 0.69 1.15 0.24 0.00 0.43 0.00 0.00 52.55 55.06 1u6f s ASP 77 Cb -0.11 -2.45 0.91 0.00 -0.30 0.00 0.00 42.92 40.96 1u6f s ASP 77 CO 0.55 -0.45 1.74 0.54 -0.17 0.00 0.00 175.17 177.37 1u6f n ARG 78 N 5.51 0.19 0.01 4.34 5.12 -1.26 0.85 116.66 131.42 1u6f n ARG 78 Ca 0.05 0.29 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 1u6f n ARG 78 Cb 0.48 -1.78 -0.10 0.00 -1.16 0.00 0.00 32.46 29.90 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1u6f h GLU 79 N 0.00 -0.06 -0.09 5.56 4.39 -1.96 -3.35 114.58 119.07 1u6f h GLU 79 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u6f h GLU 79 Cb 0.51 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1u6f h GLU 79 CO 0.00 0.43 0.00 0.25 -1.16 0.00 0.00 179.01 178.53 1u6f n THR 80 N -4.87 0.78 -2.60 1.13 -2.24 -1.22 -4.98 114.28 100.27 1u6f n THR 80 Ca -0.09 -0.89 -0.17 0.00 -2.27 0.00 0.00 64.05 60.64 1u6f n THR 80 Cb 0.27 0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.08 -2.53 -3.89 -0.78 5.12 0.25 -4.95 116.66 109.80 1u6f n ARG 81 Ca 0.04 0.73 -0.34 0.00 -1.93 0.00 0.00 57.85 56.34 1u6f n ARG 81 Cb 0.26 -5.39 -0.05 0.00 -1.16 0.00 0.00 32.46 26.13 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 -5.23 3.45 -1.01 5.56 -1.52 -1.09 -4.84 119.66 114.98 1u6f s GLN 82 Ca 0.08 -0.28 -0.25 0.00 -1.95 0.00 0.00 55.36 52.97 1u6f s GLN 82 Cb -0.04 -3.11 -0.14 0.00 -0.22 0.00 0.00 33.01 29.50 1u6f s GLN 82 CO 0.10 0.69 2.10 -1.12 -0.25 0.00 0.00 175.29 176.81 1u6f s SER 83 N -1.76 4.28 0.00 5.90 0.01 -1.26 -0.34 113.70 120.53 1u6f s SER 83 Ca 0.25 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1u6f s SER 83 Cb -0.13 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1u6f s SER 83 CO 0.16 -3.74 0.00 0.54 0.41 0.00 0.00 173.24 170.61 1u6f n ARG 84 N 8.48 0.00 0.00 12.44 1.74 -1.26 -4.40 116.66 133.65 1u6f n ARG 84 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1u6f n ARG 84 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 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 2.07 3.82 -0.13 0.00 -1.18 -3.39 105.19 106.37 1u6f n GLY 85 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 0.23 1.61 -0.85 -1.07 -4.57 117.35 112.69 1u6f s TYR 86 Ca 0.00 -0.23 0.01 0.00 -0.52 0.00 0.00 57.07 56.33 1u6f s TYR 86 Cb 0.00 0.62 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1u6f s TYR 86 CO 0.00 -0.58 0.10 0.41 -1.52 0.00 0.00 175.55 173.96 1u6f n GLY 87 N -0.65 3.35 3.16 5.49 0.00 0.13 0.11 105.19 116.78 1u6f n GLY 87 Ca -0.03 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.42 -0.13 -0.20 1.61 0.08 0.71 -1.24 117.98 117.39 1u6f s PHE 88 Ca 0.07 0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.33 1u6f s PHE 88 Cb -0.01 0.04 0.09 0.00 -0.57 0.00 0.00 43.02 42.58 1u6f s PHE 88 CO 0.05 -0.28 0.20 0.14 -0.10 0.00 0.00 175.22 175.23 1u6f s VAL 89 N -0.92 -0.29 -0.39 -0.44 -7.23 0.02 -0.86 120.40 110.30 1u6f s VAL 89 Ca -0.10 -0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 59.73 1u6f s VAL 89 Cb -0.05 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1u6f s VAL 89 CO 0.02 -0.24 0.54 -0.75 -0.31 0.00 0.00 175.10 174.36 1u6f s LYS 90 N 2.29 3.44 0.66 4.82 2.20 -0.42 -2.19 119.74 130.55 1u6f s LYS 90 Ca 0.06 -0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.23 1u6f s LYS 90 Cb -0.16 -3.87 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 1u6f s LYS 90 CO -0.13 -0.78 1.07 -0.06 -0.36 0.00 0.00 175.35 175.09 1u6f s PHE 91 N 2.48 2.87 0.15 4.03 0.40 -0.63 0.14 117.98 127.43 1u6f s PHE 91 Ca 0.19 1.51 -0.21 0.00 -0.60 0.00 0.00 56.93 57.82 1u6f s PHE 91 Cb -0.15 -3.02 0.05 0.00 0.51 0.00 0.00 43.02 40.40 1u6f s PHE 91 CO 0.15 -1.37 1.64 1.96 0.70 0.00 0.00 175.22 178.30 1u6f h GLN 92 N -0.13 -0.17 -6.18 0.44 4.20 -1.79 -3.41 115.11 108.07 1u6f h GLN 92 Ca -0.46 0.01 -0.60 0.00 0.06 0.00 0.00 58.65 57.66 1u6f h GLN 92 Cb 1.23 0.04 -0.26 0.00 0.30 0.00 0.00 27.48 28.78 1u6f h GLN 92 CO 0.56 -0.11 -0.85 0.45 -0.67 0.00 0.00 178.83 178.21 1u6f s SER 93 N -5.09 2.57 0.60 1.46 0.15 -1.26 -4.98 113.70 107.16 1u6f s SER 93 Ca -0.14 -0.52 0.29 0.00 0.70 0.00 0.00 55.95 56.28 1u6f s SER 93 Cb 0.13 -0.22 1.53 0.00 -1.71 0.00 0.00 66.02 65.75 1u6f s SER 93 CO 0.69 0.18 1.94 1.23 1.20 0.00 0.00 173.24 178.48 1u6f h GLY 94 N 4.93 0.00 2.00 9.45 0.00 -1.82 0.38 103.07 118.01 1u6f h GLY 94 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1u6f h GLY 94 CO 0.44 0.00 -0.09 1.48 0.00 0.00 0.00 176.54 178.37 1u6f h SER 95 N 0.00 0.00 0.99 0.19 4.64 -1.94 -1.86 113.55 115.56 1u6f h SER 95 Ca 0.16 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 1u6f h SER 95 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1u6f h SER 95 CO -0.00 0.09 -0.79 -1.28 -0.87 0.00 0.00 176.83 173.98 1u6f h SER 96 N 0.00 0.00 -0.65 4.97 0.87 -0.62 -3.27 113.55 114.85 1u6f h SER 96 Ca -0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1u6f h SER 96 Cb 0.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 1u6f h SER 96 CO 0.01 0.79 0.36 0.00 -0.53 0.00 0.00 176.83 177.46 1u6f h ALA 97 N 1.21 0.87 -0.95 6.23 0.00 -1.38 -0.89 119.26 124.34 1u6f h ALA 97 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1u6f h ALA 97 Cb 1.49 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1u6f h ALA 97 CO 0.10 0.03 0.57 1.96 0.00 0.00 0.00 179.25 181.92 1u6f h GLN 98 N 0.67 0.81 0.00 0.00 4.20 -1.62 0.27 115.11 119.43 1u6f h GLN 98 Ca 0.29 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 1u6f h GLN 98 Cb 0.18 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1u6f h GLN 98 CO -0.18 0.53 -0.66 1.96 -0.67 0.00 0.00 178.83 179.82 1u6f h GLN 99 N 0.83 0.00 0.30 1.46 1.08 -1.46 -1.75 115.11 115.57 1u6f h GLN 99 Ca 0.50 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 1u6f h GLN 99 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1u6f h GLN 99 CO -0.32 0.66 -0.14 0.00 -0.95 0.00 0.00 178.83 178.08 1u6f h ALA 100 N 1.34 -0.40 0.00 3.87 0.00 0.57 -2.05 119.26 122.59 1u6f h ALA 100 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1u6f h ALA 100 Cb 1.24 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1u6f h ALA 100 CO 0.09 -0.46 -0.08 0.82 0.00 0.00 0.00 179.25 179.61 1u6f h ILE 101 N -0.94 0.70 -0.04 0.00 2.04 -0.69 1.21 117.51 119.80 1u6f h ILE 101 Ca -0.04 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 65.30 1u6f h ILE 101 Cb 0.51 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1u6f h ILE 101 CO 0.07 0.08 -0.77 0.00 0.00 0.00 0.00 178.15 177.53 1u6f h ALA 102 N 1.92 0.62 0.00 1.87 0.00 -1.28 -3.10 119.26 119.28 1u6f h ALA 102 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1u6f h ALA 102 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u6f h ALA 102 CO 0.01 0.82 -0.14 0.41 0.00 0.00 0.00 179.25 180.35 1u6f n GLY 103 N 0.63 3.05 0.00 0.00 0.00 -0.78 -4.81 105.19 103.28 1u6f n GLY 103 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.86 0.62 -4.67 0.99 4.77 0.41 -4.83 117.00 113.42 1u6f n LEU 104 Ca 0.09 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.63 1u6f n LEU 104 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1u6f n LEU 104 CO 0.01 0.10 1.54 -3.20 -1.33 0.00 0.00 177.39 174.51 1u6f n ASN 105 N -1.62 3.92 -1.01 -1.43 2.85 -1.17 -0.15 115.26 116.65 1u6f n ASN 105 Ca 0.00 0.94 -0.13 0.00 -0.11 0.00 0.00 54.58 55.28 1u6f n ASN 105 Cb 0.12 -1.48 -0.06 0.00 1.24 0.00 0.00 39.78 39.60 1u6f n ASN 105 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1u6f n GLY 106 N 4.43 1.35 3.47 8.20 0.00 0.35 -4.81 105.19 118.17 1u6f n GLY 106 Ca 0.20 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.48 0.26 -1.94 1.61 7.35 0.79 -4.58 117.46 118.46 1u6f n PHE 107 Ca -0.13 -0.34 -0.24 0.00 -0.76 0.00 0.00 57.45 55.97 1u6f n PHE 107 Cb 0.50 -1.25 -0.07 0.00 0.35 0.00 0.00 39.48 39.00 1u6f n PHE 107 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1u6f s ASN 108 N 6.88 4.60 0.67 -2.13 3.84 -1.26 -2.01 114.94 125.54 1u6f s ASN 108 Ca 0.65 -1.45 -0.11 0.00 0.21 0.00 0.00 52.86 52.16 1u6f s ASN 108 Cb 0.08 -2.59 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1u6f s ASN 108 CO 0.26 -3.53 1.06 -0.51 -2.79 0.00 0.00 177.10 171.59 1u6f s ILE 109 N 12.62 4.14 0.64 -5.21 2.07 0.25 -4.90 121.20 130.81 1u6f s ILE 109 Ca 0.72 0.69 0.25 0.00 -1.41 0.00 0.00 60.65 60.91 1u6f s ILE 109 Cb -0.02 -3.59 0.29 0.00 0.13 0.00 0.00 42.46 39.26 1u6f s ILE 109 CO 0.14 -0.91 1.75 0.25 -1.91 0.00 0.00 174.94 174.26 1u6f h LEU 110 N -0.57 0.00 0.00 8.50 7.12 -2.04 -2.55 115.31 125.77 1u6f h LEU 110 Ca -0.44 0.00 -0.39 0.00 0.13 0.00 0.00 57.88 57.18 1u6f h LEU 110 Cb 1.21 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.28 1u6f h LEU 110 CO 0.61 0.00 -2.38 0.59 -0.13 0.00 0.00 178.44 177.13 1u6f n ASN 111 N -3.08 2.00 -1.50 1.25 4.13 -1.26 -5.09 115.26 111.72 1u6f n ASN 111 Ca 0.03 0.05 -0.04 0.00 1.68 0.00 0.00 54.58 56.30 1u6f n ASN 111 Cb 0.61 -0.53 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 1u6f n ASN 111 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1u6f n LYS 112 N -3.58 0.12 -3.95 3.52 4.01 -0.96 -5.15 118.16 112.17 1u6f n LYS 112 Ca -0.45 -0.73 -0.30 0.00 -0.51 0.00 0.00 58.31 56.32 1u6f n LYS 112 Cb 0.91 0.63 -0.16 0.00 -0.51 0.00 0.00 35.03 35.90 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 -2.27 1.75 -1.00 1.97 6.06 -1.26 0.87 118.95 125.06 1u6f s ARG 113 Ca 0.08 -0.72 -0.21 0.00 -2.50 0.00 0.00 55.73 52.38 1u6f s ARG 113 Cb 0.00 -2.27 0.08 0.00 0.06 0.00 0.00 34.95 32.83 1u6f s ARG 113 CO 0.06 -0.45 1.34 -0.51 -2.50 0.00 0.00 175.30 173.24 1u6f s LEU 114 N 1.49 4.12 -0.27 -0.88 1.43 -0.85 -4.60 118.68 119.12 1u6f s LEU 114 Ca -0.01 -1.74 -0.26 0.00 -1.03 0.00 0.00 54.13 51.09 1u6f s LEU 114 Cb -0.16 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1u6f s LEU 114 CO -0.08 -1.31 0.90 -0.75 0.23 0.00 0.00 176.35 175.34 1u6f s LYS 115 N 4.02 4.12 -0.07 1.70 2.20 -0.90 0.13 119.74 130.94 1u6f s LYS 115 Ca 0.41 0.95 0.02 0.00 -0.36 0.00 0.00 55.97 56.99 1u6f s LYS 115 Cb -0.02 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1u6f s LYS 115 CO -0.09 -0.65 -0.10 0.08 -0.36 0.00 0.00 175.35 174.23 1u6f s VAL 116 N 3.08 1.02 -0.03 4.02 1.01 -1.25 0.65 120.40 128.91 1u6f s VAL 116 Ca 0.38 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1u6f s VAL 116 Cb -0.14 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.28 1u6f s VAL 116 CO 0.10 0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1u6f s ALA 117 N 0.92 0.72 0.73 5.51 0.00 0.30 -4.66 121.76 125.29 1u6f s ALA 117 Ca -0.10 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1u6f s ALA 117 Cb -0.15 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1u6f s ALA 117 CO 0.01 0.07 1.15 1.28 0.00 0.00 0.00 175.76 178.27 1u6f n LEU 118 N 3.58 4.62 -1.83 0.00 7.99 -1.26 0.12 117.00 130.22 1u6f n LEU 118 Ca -0.21 0.69 -0.14 0.00 -0.01 0.00 0.00 56.01 56.34 1u6f n LEU 118 Cb 0.53 -1.49 0.15 0.00 -0.11 0.00 0.00 43.42 42.50 1u6f n LEU 118 CO 0.24 -1.59 1.02 0.00 -1.51 0.00 0.00 177.39 175.55 1u6f n ALA 119 N -2.60 4.57 -1.86 -1.18 0.00 -0.77 -4.72 120.51 113.96 1u6f n ALA 119 Ca 0.14 -1.99 -0.41 0.00 0.00 0.00 0.00 53.44 51.18 1u6f n ALA 119 Cb 0.49 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1u6f n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6f s ALA 120 N -2.35 3.56 0.62 0.00 0.00 -1.26 -4.76 121.76 117.58 1u6f s ALA 120 Ca 0.41 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1u6f s ALA 120 Cb 0.34 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1u6f s ALA 120 CO 0.08 -0.68 0.00 0.45 0.00 0.00 0.00 175.76 175.62 1u6f n SER 121 N 1.82 -8.08 0.00 0.00 2.88 -1.26 -5.07 113.62 103.91 1u6f n SER 121 Ca 0.04 1.45 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 1u6f n SER 121 Cb 0.41 -5.04 0.00 0.00 -0.75 0.00 0.00 64.21 58.83 1u6f n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6f n GLY 122 N -4.38 -0.24 0.35 0.46 0.00 -1.26 -4.99 105.19 95.12 1u6f n GLY 122 Ca -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -4.99 1.61 8.25 -1.26 -5.13 115.22 113.70 1u6f n HIS 123 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1u6f n HIS 123 Cb 0.00 -0.08 -0.00 0.00 1.12 0.00 0.00 29.99 31.03 1u6f n HIS 123 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1u6f n GLN 124 N -2.76 -0.00 -4.64 -0.41 7.27 -1.26 -4.87 117.38 110.70 1u6f n GLN 124 Ca -0.04 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.81 1u6f n GLN 124 Cb 0.54 -0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.03 1u6f n GLN 124 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1u6f s ARG 125 N -0.00 1.15 0.02 3.69 0.52 -1.26 -5.06 118.95 118.01 1u6f s ARG 125 Ca 0.00 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.48 1u6f s ARG 125 Cb 0.00 -1.12 -0.22 0.00 0.52 0.00 0.00 34.95 34.12 1u6f s ARG 125 CO 0.00 0.31 1.13 -1.00 0.02 0.00 0.00 175.30 175.75 1u6f h PRO 126 N 5.70 0.45 0.00 3.54 0.13 -2.07 -3.49 132.00 136.25 1u6f h PRO 126 Ca -0.35 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1u6f h PRO 126 Cb 1.16 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1u6f h PRO 126 CO 0.48 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.78 1u6f n GLY 127 N 1.01 1.10 3.32 1.56 0.00 -1.26 -4.97 105.19 105.95 1u6f n GLY 127 Ca -0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.41 0.00 -0.61 2.08 -1.26 -4.66 119.36 112.50 1u6f n ILE 128 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1u6f n ILE 128 Cb 0.00 -3.63 0.00 0.00 -0.75 0.00 0.00 39.64 35.26 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 -4.24 0.00 0.00 -1.39 0.00 -1.26 -5.18 120.51 108.44 1u6f n ALA 129 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1u6f n ALA 129 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N -1.36 -1.44 2.95 0.00 0.00 -1.26 -4.88 105.19 99.19 1u6f n GLY 130 Ca 0.00 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1u6f n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6f s ALA 131 N -1.81 3.34 0.26 4.61 0.00 -1.26 -5.09 121.76 121.81 1u6f s ALA 131 Ca 0.00 -3.30 -0.31 0.00 0.00 0.00 0.00 51.96 48.35 1u6f s ALA 131 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1u6f s ALA 131 CO 0.00 -2.03 1.65 0.54 0.00 0.00 0.00 175.76 175.93 1u6f s VAL 132 N -0.33 2.04 -0.20 0.00 0.11 -1.26 -4.92 120.40 115.83 1u6f s VAL 132 Ca 0.17 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1u6f s VAL 132 Cb -0.25 -3.02 -0.10 0.00 -1.53 0.00 0.00 36.38 31.48 1u6f s VAL 132 CO -0.01 0.00 -0.22 0.61 -3.33 0.00 0.00 175.10 172.15 1u6f n GLY 133 N 2.95 -0.30 5.19 6.54 0.00 -1.26 -4.99 105.19 113.32 1u6f n GLY 133 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u6f n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u6f n ASP 134 N -3.55 0.00 0.00 1.61 9.92 -1.26 -4.87 116.55 118.40 1u6f n ASP 134 Ca -0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 1u6f n ASP 134 Cb 0.82 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.30 1u6f n ASP 134 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u6f n GLY 135 N 0.00 0.12 3.87 0.44 0.00 -1.26 -5.05 105.19 103.31 1u6f n GLY 135 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1u6f n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u6f s ASN 136 N -4.00 6.24 -0.35 1.61 -0.87 -1.26 -5.05 114.94 111.26 1u6f s ASN 136 Ca 0.00 1.39 -0.04 0.00 -1.57 0.00 0.00 52.86 52.64 1u6f s ASN 136 Cb 0.00 -2.46 0.23 0.00 -0.02 0.00 0.00 41.25 39.00 1u6f s ASN 136 CO 0.00 -0.85 1.11 0.61 -2.57 0.00 0.00 177.10 175.41 1u6f n GLY 137 N -2.70 -1.61 0.24 0.66 0.00 -1.26 -5.01 105.19 95.50 1u6f n GLY 137 Ca 0.06 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.21 1u6f n GLY 137 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u6f h TYR 138 N 3.93 0.34 -0.01 1.61 3.20 -2.07 -3.57 116.97 120.42 1u6f h TYR 138 Ca -0.07 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1u6f h TYR 138 Cb 1.17 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1u6f h TYR 138 CO -0.08 0.50 0.00 1.28 -1.64 0.00 0.00 178.16 178.22