#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 -1.67 0.00 3.17 3.41 -1.26 -5.03 113.62 112.24 1u6f n SER 2 Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1u6f n SER 2 Cb 0.00 1.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.70 1u6f n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6f n GLN 3 N -3.03 0.00 -3.15 4.33 6.02 -1.26 -5.08 117.38 115.22 1u6f n GLN 3 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1u6f n GLN 3 Cb 0.00 -0.53 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 1u6f n GLN 3 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1u6f s ILE 4 N -1.81 -0.59 -0.36 5.09 1.10 -1.26 -5.06 121.20 118.31 1u6f s ILE 4 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 59.92 1u6f s ILE 4 Cb 0.00 -0.94 -0.23 0.00 0.15 0.00 0.00 42.46 41.44 1u6f s ILE 4 CO 0.00 0.00 1.70 -2.65 -2.11 0.00 0.00 174.94 171.88 1u6f n PRO 5 N 5.43 0.73 0.00 3.50 -0.02 -1.26 -3.12 135.00 140.26 1u6f n PRO 5 Ca -0.03 -1.30 0.00 0.00 -2.02 0.00 0.00 63.50 60.15 1u6f n PRO 5 Cb 0.53 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1u6f n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u6f n LEU 6 N 7.62 0.00 -1.88 2.45 4.77 -1.26 -5.03 117.00 123.67 1u6f n LEU 6 Ca 0.43 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1u6f n LEU 6 Cb 0.35 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1u6f n LEU 6 CO 1.03 -0.23 -0.29 0.52 -1.33 0.00 0.00 177.39 177.09 1u6f n VAL 7 N -1.96 -7.49 -1.44 4.08 0.31 -1.18 -4.96 118.33 105.69 1u6f n VAL 7 Ca 0.00 1.35 0.14 0.00 -0.01 0.00 0.00 64.34 65.82 1u6f n VAL 7 Cb 0.00 -4.76 -0.08 0.00 -0.91 0.00 0.00 33.84 28.09 1u6f n VAL 7 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1u6f n SER 8 N 0.80 -7.80 -2.06 4.52 7.64 -1.26 -5.01 113.62 110.45 1u6f n SER 8 Ca -0.14 1.51 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1u6f n SER 8 Cb 0.21 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 1u6f n SER 8 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1u6f n GLN 9 N -4.03 -5.06 -3.51 1.43 0.00 -1.26 -5.09 117.38 99.86 1u6f n GLN 9 Ca -0.08 3.65 -0.15 0.00 -0.00 0.00 0.00 57.00 60.42 1u6f n GLN 9 Cb 0.64 -4.13 -0.05 0.00 0.00 0.00 0.00 30.24 26.71 1u6f n GLN 9 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1u6f n TYR 10 N 1.74 -0.13 -3.82 3.69 0.18 -1.26 -5.01 117.16 112.55 1u6f n TYR 10 Ca 0.00 -1.74 -0.30 0.00 1.88 0.00 0.00 57.90 57.74 1u6f n TYR 10 Cb 0.00 0.07 -0.15 0.00 -0.38 0.00 0.00 39.34 38.88 1u6f n TYR 10 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1u6f s ASP 11 N -2.58 4.19 0.51 9.48 2.15 -1.26 -5.12 116.67 124.04 1u6f s ASP 11 Ca 0.18 -2.03 -0.21 0.00 0.43 0.00 0.00 52.55 50.92 1u6f s ASP 11 Cb 0.01 -1.15 -0.06 0.00 -0.30 0.00 0.00 42.92 41.42 1u6f s ASP 11 CO 0.13 -0.37 1.16 -2.16 -0.17 0.00 0.00 175.17 173.75 1u6f s PRO 12 N 1.10 3.51 0.00 4.34 0.04 -1.26 -5.06 135.00 137.67 1u6f s PRO 12 Ca 0.12 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1u6f s PRO 12 Cb -0.19 -2.18 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 1u6f s PRO 12 CO -0.15 -0.74 -0.01 1.52 0.04 0.00 0.00 177.00 177.66 1u6f s TYR 13 N -1.65 0.10 0.71 0.56 1.13 -1.26 -5.15 117.35 111.79 1u6f s TYR 13 Ca 0.69 -0.12 -0.13 0.00 -1.41 0.00 0.00 57.07 56.10 1u6f s TYR 13 Cb -0.27 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.55 1u6f s TYR 13 CO 0.31 -0.04 1.10 0.20 -2.51 0.00 0.00 175.55 174.62 1u6f s GLY 14 N -0.32 1.93 -0.95 5.49 0.00 -1.26 -4.95 107.32 107.26 1u6f s GLY 14 Ca -0.03 0.42 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 1u6f s GLY 14 CO -0.00 0.77 1.22 1.20 0.00 0.00 0.00 173.10 176.29 1u6f s GLN 15 N -4.48 3.59 -0.59 2.90 1.11 -1.26 -4.97 119.66 115.97 1u6f s GLN 15 Ca 0.64 -1.55 -0.26 0.00 0.01 0.00 0.00 55.36 54.20 1u6f s GLN 15 Cb -0.19 -5.04 -0.05 0.00 -1.01 0.00 0.00 33.01 26.72 1u6f s GLN 15 CO 0.48 -1.91 2.13 -0.08 0.01 0.00 0.00 175.29 175.93 1u6f s THR 16 N 3.40 3.19 0.18 -0.19 -1.32 -1.26 -4.56 115.64 115.08 1u6f s THR 16 Ca 0.37 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.91 1u6f s THR 16 Cb -0.03 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 1u6f s THR 16 CO -0.09 -0.48 0.00 0.00 -2.21 0.00 0.00 174.62 171.83 1u6f n ALA 17 N 14.53 3.00 -3.64 11.08 0.00 -1.26 -5.15 120.51 139.08 1u6f n ALA 17 Ca 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.67 1u6f n ALA 17 Cb 0.52 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1u6f n ALA 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1u6f s GLN 18 N -1.75 0.36 -0.15 0.00 0.74 -1.26 -5.06 119.66 112.54 1u6f s GLN 18 Ca 0.00 0.38 0.04 0.00 0.05 0.00 0.00 55.36 55.83 1u6f s GLN 18 Cb 0.00 0.18 -0.12 0.00 1.10 0.00 0.00 33.01 34.17 1u6f s GLN 18 CO 0.00 -0.05 -0.09 -0.11 -0.55 0.00 0.00 175.29 174.48 1u6f n LEU 19 N 1.83 2.18 -2.24 3.68 7.94 -1.26 -5.11 117.00 124.01 1u6f n LEU 19 Ca -0.11 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1u6f n LEU 19 Cb 0.56 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1u6f n LEU 19 CO 0.03 0.65 -0.47 1.67 -1.11 0.00 0.00 177.39 178.16 1u6f n GLN 20 N -2.84 -5.13 -1.32 1.96 7.27 -1.26 -4.98 117.38 111.09 1u6f n GLN 20 Ca -0.27 3.72 0.03 0.00 0.07 0.00 0.00 57.00 60.55 1u6f n GLN 20 Cb 0.83 -4.50 0.09 0.00 2.41 0.00 0.00 30.24 29.08 1u6f n GLN 20 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1u6f n GLN 21 N 1.79 0.91 0.00 3.69 6.02 -1.26 -4.89 117.38 123.64 1u6f n GLN 21 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 1u6f n GLN 21 Cb 0.00 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1u6f n GLN 21 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1u6f n LEU 22 N -0.23 0.00 -1.45 1.08 4.32 -1.26 -5.13 117.00 114.33 1u6f n LEU 22 Ca 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.15 1u6f n LEU 22 Cb 0.95 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 1u6f n LEU 22 CO -0.01 -0.48 -0.48 0.00 -1.22 0.00 0.00 177.39 175.21 1u6f n GLN 23 N -2.45 -3.74 -2.74 3.23 6.02 -1.26 -5.04 117.38 111.41 1u6f n GLN 23 Ca 0.00 2.92 0.01 0.00 -0.01 0.00 0.00 57.00 59.92 1u6f n GLN 23 Cb 0.00 -3.73 0.01 0.00 1.02 0.00 0.00 30.24 27.54 1u6f n GLN 23 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u6f s GLN 24 N -5.15 0.16 -0.11 -1.09 2.00 -1.26 -5.02 119.66 109.20 1u6f s GLN 24 Ca 0.00 -0.07 0.12 0.00 -2.00 0.00 0.00 55.36 53.41 1u6f s GLN 24 Cb 0.00 0.01 0.54 0.00 0.80 0.00 0.00 33.01 34.37 1u6f s GLN 24 CO 0.00 -0.23 1.39 0.94 -0.50 0.00 0.00 175.29 176.90 1u6f n GLN 25 N 3.49 3.23 -2.88 1.67 0.00 -1.26 -4.90 117.38 116.73 1u6f n GLN 25 Ca 0.06 -2.13 -0.19 0.00 -0.00 0.00 0.00 57.00 54.74 1u6f n GLN 25 Cb 0.64 -1.82 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1u6f n GLN 25 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1u6f n GLN 26 N 0.67 -3.20 -3.68 3.69 -0.06 -1.26 -4.94 117.38 108.60 1u6f n GLN 26 Ca 0.19 0.67 -0.09 0.00 -2.00 0.00 0.00 57.00 55.77 1u6f n GLN 26 Cb 0.75 -5.38 -0.10 0.00 -4.06 0.00 0.00 30.24 21.46 1u6f n GLN 26 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1u6f s GLN 27 N -5.52 0.42 -0.56 3.69 -0.21 -1.26 -5.09 119.66 111.13 1u6f s GLN 27 Ca 0.20 0.94 0.06 0.00 0.02 0.00 0.00 55.36 56.58 1u6f s GLN 27 Cb -0.10 0.13 0.21 0.00 1.00 0.00 0.00 33.01 34.25 1u6f s GLN 27 CO 0.25 -0.19 0.53 1.04 -2.12 0.00 0.00 175.29 174.80 1u6f n GLN 28 N 4.64 1.39 -0.05 2.91 6.02 -1.26 -4.87 117.38 126.17 1u6f n GLN 28 Ca -0.18 -3.97 0.01 0.00 -0.01 0.00 0.00 57.00 52.85 1u6f n GLN 28 Cb 0.54 -1.92 -0.16 0.00 1.02 0.00 0.00 30.24 29.72 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 1.78 0.10 -1.74 1.08 -0.00 -1.26 -5.10 115.22 110.09 1u6f n HIS 29 Ca 0.25 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.46 1u6f n HIS 29 Cb 0.43 -0.78 0.00 0.00 -0.12 0.00 0.00 29.99 29.52 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 -2.54-10.50 -0.06 3.57 2.08 -1.26 -4.27 119.36 106.38 1u6f n ILE 30 Ca -0.17 2.72 -0.07 0.00 0.56 0.00 0.00 62.75 65.78 1u6f n ILE 30 Cb 0.86 -4.62 -0.02 0.00 -0.75 0.00 0.00 39.64 35.11 1u6f n ILE 30 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1u6f h PRO 31 N 3.36 0.00 0.00 0.38 0.11 -2.02 -1.28 132.00 132.55 1u6f h PRO 31 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u6f h PRO 31 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1u6f h PRO 31 CO 0.00 0.00 0.00 -0.35 -0.21 0.00 0.00 178.00 177.44 1u6f n PRO 32 N -5.23 0.86 -3.09 1.05 -0.04 -1.26 -4.96 135.00 122.34 1u6f n PRO 32 Ca -0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1u6f n PRO 32 Cb 0.15 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1u6f n PRO 32 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1u6f n THR 33 N -0.77 -3.79 -2.78 0.52 5.66 -0.48 -4.14 114.28 108.49 1u6f n THR 33 Ca 0.11 0.73 0.00 0.00 -3.05 0.00 0.00 64.05 61.84 1u6f n THR 33 Cb 0.05 -3.67 0.00 0.00 -1.55 0.00 0.00 70.33 65.16 1u6f n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u6f n GLN 34 N 1.32 -0.31 -0.02 1.09 0.00 -1.26 -4.85 117.38 113.34 1u6f n GLN 34 Ca -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 57.00 57.58 1u6f n GLN 34 Cb 0.38 -0.81 -0.04 0.00 0.00 0.00 0.00 30.24 29.76 1u6f n GLN 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 1u6f h MET 35 N 3.37 0.18 0.00 2.61 4.05 -1.99 -3.47 114.93 119.68 1u6f h MET 35 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1u6f h MET 35 Cb 0.76 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1u6f h MET 35 CO 0.00 0.12 0.00 0.09 0.23 0.00 0.00 176.91 177.35 1u6f n ASN 36 N -5.00 0.00 -3.94 1.39 4.13 -1.26 -5.05 115.26 105.53 1u6f n ASN 36 Ca -0.04 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.87 1u6f n ASN 36 Cb 0.04 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.18 1u6f n ASN 36 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1u6f n PRO 37 N 0.00 0.67 -3.46 3.52 -0.02 -1.26 -4.85 135.00 129.60 1u6f n PRO 37 Ca 0.00 -1.61 -0.43 0.00 -2.02 0.00 0.00 63.50 59.44 1u6f n PRO 37 Cb 0.00 -3.12 -0.08 0.00 -0.02 0.00 0.00 33.50 30.28 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 6.73 2.87 0.57 -0.52 0.41 -1.26 -4.94 118.70 122.56 1u6f s GLU 38 Ca 0.69 -1.36 0.26 0.00 -0.41 0.00 0.00 54.97 54.15 1u6f s GLU 38 Cb 0.08 -4.01 1.65 0.00 -1.78 0.00 0.00 34.13 30.07 1u6f s GLU 38 CO 0.22 -0.98 2.20 -1.35 -0.49 0.00 0.00 175.26 174.86 1u6f h PRO 39 N 8.64 0.00 -0.05 0.39 0.11 -2.00 -1.60 132.00 137.50 1u6f h PRO 39 Ca -0.27 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1u6f h PRO 39 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1u6f h PRO 39 CO 0.83 0.00 0.03 -0.44 -0.21 0.00 0.00 178.00 178.22 1u6f h ASP 40 N 0.00 0.00 -0.89 -2.05 5.19 -1.99 -1.18 116.42 115.51 1u6f h ASP 40 Ca 0.02 -0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.95 1u6f h ASP 40 Cb 0.11 -0.00 -0.27 0.00 0.18 0.00 0.00 39.33 39.35 1u6f h ASP 40 CO -0.00 0.00 0.62 1.33 -3.12 0.00 0.00 179.24 178.07 1u6f n VAL 41 N -4.53 3.03 0.16 -1.35 0.24 -0.60 -4.36 118.33 110.92 1u6f n VAL 41 Ca -0.02 -1.85 0.04 0.00 -2.04 0.00 0.00 64.34 60.47 1u6f n VAL 41 Cb 0.13 -0.63 0.11 0.00 -1.47 0.00 0.00 33.84 31.98 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 1.17 0.00 0.00 1.34 3.38 -1.34 -3.16 115.31 116.70 1u6f h LEU 42 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1u6f h LEU 42 Cb 2.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.13 1u6f h LEU 42 CO 1.05 0.43 0.00 -2.11 0.09 0.00 0.00 178.44 177.90 1u6f n ARG 43 N -3.26 0.07 -2.33 1.13 0.00 -1.26 -4.59 116.66 106.42 1u6f n ARG 43 Ca 0.02 0.26 -0.42 0.00 -0.00 0.00 0.00 57.85 57.71 1u6f n ARG 43 Cb 0.67 -1.50 -0.03 0.00 -0.00 0.00 0.00 32.46 31.60 1u6f n ARG 43 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1u6f s ASN 44 N -2.79 6.08 -0.21 2.89 3.04 -1.19 -1.27 114.94 121.48 1u6f s ASN 44 Ca 0.07 0.45 -0.04 0.00 0.04 0.00 0.00 52.86 53.38 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 0.17 -1.72 -0.03 -0.76 -3.04 0.00 0.00 177.10 171.73 1u6f s LEU 45 N 6.25 3.03 -0.40 3.21 1.43 -0.85 -2.34 118.68 129.01 1u6f s LEU 45 Ca 0.57 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1u6f s LEU 45 Cb -0.12 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1u6f s LEU 45 CO 0.27 0.01 0.63 -0.32 0.23 0.00 0.00 176.35 177.17 1u6f s MET 46 N 1.30 3.46 -0.18 1.70 -2.45 0.35 -0.25 119.30 123.23 1u6f s MET 46 Ca 0.04 -0.19 -0.08 0.00 -1.25 0.00 0.00 55.69 54.21 1u6f s MET 46 Cb -0.14 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 32.01 1u6f s MET 46 CO -0.01 -0.88 0.08 0.14 1.05 0.00 0.00 175.02 175.41 1u6f s VAL 47 N 2.75 5.00 -0.01 10.11 -7.23 0.49 0.10 120.40 131.61 1u6f s VAL 47 Ca 0.23 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1u6f s VAL 47 Cb -0.14 -3.25 0.01 0.00 0.56 0.00 0.00 36.38 33.56 1u6f s VAL 47 CO 0.17 0.47 0.01 0.21 -0.31 0.00 0.00 175.10 175.65 1u6f s ASN 48 N 0.26 0.08 0.18 4.85 2.47 0.59 0.21 114.94 123.58 1u6f s ASN 48 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.35 1u6f s ASN 48 Cb -0.12 -0.05 0.00 0.00 -1.45 0.00 0.00 41.25 39.63 1u6f s ASN 48 CO -0.00 -0.06 0.00 0.00 -3.72 0.00 0.00 177.10 173.32 1u6f n TYR 49 N 3.63 -3.14 -4.18 0.43 9.36 -1.26 -2.12 117.16 119.89 1u6f n TYR 49 Ca -0.20 0.61 -0.35 0.00 3.32 0.00 0.00 57.90 61.27 1u6f n TYR 49 Cb 0.55 1.78 -0.09 0.00 -0.63 0.00 0.00 39.34 40.95 1u6f n TYR 49 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1u6f s ILE 50 N -1.41 4.70 0.00 2.97 1.09 -1.26 -5.05 121.20 122.24 1u6f s ILE 50 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.46 1u6f s ILE 50 Cb 0.00 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.37 1u6f s ILE 50 CO 0.00 0.58 0.14 -0.81 -0.10 0.00 0.00 174.94 174.75 1u6f n PRO 51 N 2.40 0.00 0.20 2.79 -0.04 -1.26 -3.23 135.00 135.86 1u6f n PRO 51 Ca -0.19 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1u6f n PRO 51 Cb 0.54 -0.58 0.29 0.00 -0.04 0.00 0.00 33.50 33.71 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 -0.30 0.52 2.02 -1.90 -2.88 112.91 110.37 1u6f h THR 52 Ca 0.00 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1u6f h THR 52 Cb 0.00 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1u6f h THR 52 CO 0.00 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.30 1u6f n THR 53 N -2.91 0.79 -2.08 3.16 -1.04 -1.26 -4.73 114.28 106.22 1u6f n THR 53 Ca 0.04 -0.52 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 1u6f n THR 53 Cb 0.47 -0.06 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 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 -1.66 3.59 -0.21 12.58 0.11 -1.20 -4.85 120.40 128.76 1u6f s VAL 54 Ca 0.23 0.62 -0.02 0.00 -2.93 0.00 0.00 61.98 59.88 1u6f s VAL 54 Cb 0.15 -3.74 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1u6f s VAL 54 CO 0.11 -0.43 -0.09 -0.62 -3.33 0.00 0.00 175.10 170.74 1u6f s ASP 55 N 5.27 3.98 0.60 3.54 -1.08 -1.26 -4.91 116.67 122.80 1u6f s ASP 55 Ca 0.75 -0.55 0.29 0.00 -0.52 0.00 0.00 52.55 52.52 1u6f s ASP 55 Cb -0.22 -1.65 1.61 0.00 -1.46 0.00 0.00 42.92 41.20 1u6f s ASP 55 CO 0.33 -0.04 2.00 1.05 0.52 0.00 0.00 175.17 179.03 1u6f h GLU 56 N 8.05 0.00 0.33 4.34 4.11 -1.95 -1.53 114.58 127.92 1u6f h GLU 56 Ca -0.41 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1u6f h GLU 56 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1u6f h GLU 56 CO 0.61 0.00 -0.16 0.28 0.07 0.00 0.00 179.01 179.81 1u6f h VAL 57 N 0.00 0.56 -0.68 -1.06 2.07 -1.96 0.93 116.25 116.12 1u6f h VAL 57 Ca 0.12 -0.69 0.14 0.00 0.82 0.00 0.00 66.70 67.09 1u6f h VAL 57 Cb 0.76 0.86 -0.12 0.00 -1.52 0.00 0.00 31.29 31.27 1u6f h VAL 57 CO -0.00 0.11 -0.03 -0.61 0.02 0.00 0.00 177.57 177.06 1u6f h GLN 58 N -0.89 0.09 0.00 1.57 4.15 -1.70 0.47 115.11 118.79 1u6f h GLN 58 Ca -0.05 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 1u6f h GLN 58 Cb 0.53 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1u6f h GLN 58 CO 0.07 0.06 -0.41 1.37 -1.93 0.00 0.00 178.83 177.99 1u6f h LEU 59 N 0.09 0.00 0.29 -2.39 -0.00 -1.52 -2.58 115.31 109.20 1u6f h LEU 59 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 1u6f h LEU 59 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1u6f h LEU 59 CO -0.61 0.41 -0.28 -0.09 -0.00 0.00 0.00 178.44 177.87 1u6f h ARG 60 N 0.00 -0.58 -0.03 0.17 1.12 0.56 1.26 114.38 116.88 1u6f h ARG 60 Ca -0.00 0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.73 1u6f h ARG 60 Cb 1.23 0.13 0.01 0.00 -0.01 0.00 0.00 29.97 31.33 1u6f h ARG 60 CO 0.05 -0.39 -0.65 1.96 -3.11 0.00 0.00 179.97 177.84 1u6f h GLN 61 N -0.60 0.50 -0.52 0.20 4.20 -1.32 0.89 115.11 118.45 1u6f h GLN 61 Ca -0.01 -0.49 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 1u6f h GLN 61 Cb 0.55 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1u6f h GLN 61 CO -0.05 1.13 0.12 1.25 -0.67 0.00 0.00 178.83 180.61 1u6f h LEU 62 N 0.06 0.80 0.00 1.46 5.85 -1.40 -2.10 115.31 119.98 1u6f h LEU 62 Ca -0.07 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 1u6f h LEU 62 Cb 1.33 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1u6f h LEU 62 CO 0.13 0.83 -0.56 -0.26 -0.34 0.00 0.00 178.44 178.24 1u6f h PHE 63 N 0.73 0.02 -0.41 1.25 -1.00 0.15 -3.32 116.94 114.36 1u6f h PHE 63 Ca 0.16 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 61.05 1u6f h PHE 63 Cb 0.35 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1u6f h PHE 63 CO 0.02 1.22 0.39 1.05 -1.61 0.00 0.00 178.31 179.38 1u6f h GLU 64 N -0.98 0.00 0.03 1.51 4.11 -0.83 -1.19 114.58 117.24 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 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1u6f h GLU 64 CO -0.09 0.00 -0.20 -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 1.12 -1.47 0.34 114.38 115.10 1u6f h ARG 65 Ca 0.19 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 1u6f h ARG 65 Cb 0.97 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.00 1u6f h ARG 65 CO -0.00 -0.21 0.00 0.66 -3.11 0.00 0.00 179.97 177.30 1u6f n TYR 66 N -5.33 0.00 -3.08 2.20 4.02 -0.53 -4.67 117.16 109.78 1u6f n TYR 66 Ca -0.05 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.89 1u6f n TYR 66 Cb 0.24 -0.48 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1u6f n TYR 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u6f s GLY 67 N -2.95 -1.01 -0.23 2.72 0.00 -0.48 -4.59 107.32 100.78 1u6f s GLY 67 Ca 0.15 2.09 -0.42 0.00 0.00 0.00 0.00 44.72 46.54 1u6f s GLY 67 CO 0.49 4.19 1.51 -1.05 0.00 0.00 0.00 173.10 178.24 1u6f n PRO 68 N 4.82 0.59 -2.83 2.90 -0.02 -0.01 -3.94 135.00 136.51 1u6f n PRO 68 Ca 0.09 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1u6f n PRO 68 Cb 0.59 -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 2.20 4.29 -0.25 4.25 -4.36 -1.26 -1.78 121.20 124.28 1u6f s ILE 69 Ca 0.97 1.68 -0.06 0.00 -0.26 0.00 0.00 60.65 62.98 1u6f s ILE 69 Cb -1.22 -3.90 -0.13 0.00 1.25 0.00 0.00 42.46 38.45 1u6f s ILE 69 CO 0.66 0.05 -0.28 1.21 0.24 0.00 0.00 174.94 176.81 1u6f n GLU 70 N 0.31 0.58 -3.63 0.37 2.13 0.34 -4.74 120.64 116.00 1u6f n GLU 70 Ca 0.03 0.20 -0.28 0.00 0.66 0.00 0.00 57.16 57.76 1u6f n GLU 70 Cb 0.51 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 30.60 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 -6.90 3.05 -0.09 4.31 0.15 -1.04 -5.03 113.70 108.14 1u6f s SER 71 Ca -0.35 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.29 1u6f s SER 71 Cb 0.12 -0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1u6f s SER 71 CO 0.51 -0.38 -0.02 0.54 1.20 0.00 0.00 173.24 175.09 1u6f s VAL 72 N 2.00 4.10 0.06 4.45 0.11 -1.26 -1.32 120.40 128.54 1u6f s VAL 72 Ca 0.04 -0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 58.56 1u6f s VAL 72 Cb -0.16 -2.72 0.05 0.00 -1.53 0.00 0.00 36.38 32.01 1u6f s VAL 72 CO -0.19 0.59 0.50 -0.75 -3.33 0.00 0.00 175.10 171.92 1u6f s LYS 73 N -0.68 1.04 0.01 1.54 2.20 -0.39 -4.99 119.74 118.48 1u6f s LYS 73 Ca 0.11 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 1u6f s LYS 73 Cb -0.12 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1u6f s LYS 73 CO 0.02 -0.38 0.02 0.42 -0.36 0.00 0.00 175.35 175.06 1u6f s ILE 74 N -2.67 4.24 -0.46 5.43 1.01 -1.26 0.23 121.20 127.72 1u6f s ILE 74 Ca -0.04 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1u6f s ILE 74 Cb -0.00 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1u6f s ILE 74 CO -0.04 0.33 0.64 -0.69 0.00 0.00 0.00 174.94 175.18 1u6f s VAL 75 N -1.14 4.83 0.44 2.92 1.01 0.34 -4.86 120.40 123.95 1u6f s VAL 75 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1u6f s VAL 75 Cb -0.12 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1u6f s VAL 75 CO 0.12 -0.67 0.56 0.00 0.00 0.00 0.00 175.10 175.11 1u6f s ASP 77 N -4.35 6.74 0.00 0.00 1.47 -0.90 -4.88 116.67 114.76 1u6f s ASP 77 Ca 0.54 1.61 0.16 0.00 1.18 0.00 0.00 52.55 56.04 1u6f s ASP 77 Cb -0.08 -2.54 0.68 0.00 -0.34 0.00 0.00 42.92 40.65 1u6f s ASP 77 CO 0.32 -0.95 1.51 -2.11 0.68 0.00 0.00 175.17 174.62 1u6f n ARG 78 N 7.04 0.00 -0.01 2.11 0.00 -1.26 0.10 116.66 124.64 1u6f n ARG 78 Ca 0.15 0.23 -0.13 0.00 -0.00 0.00 0.00 57.85 58.10 1u6f n ARG 78 Cb 0.45 -1.50 -0.10 0.00 -0.00 0.00 0.00 32.46 31.31 1u6f n ARG 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1u6f h GLU 79 N 0.00 -0.05 -0.06 2.89 4.39 -1.97 -3.37 114.58 116.41 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 0.27 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1u6f h GLU 79 CO 0.00 0.56 0.00 0.25 -1.16 0.00 0.00 179.01 178.66 1u6f n THR 80 N -4.81 0.53 -3.23 1.13 -2.24 -1.19 -4.99 114.28 99.48 1u6f n THR 80 Ca -0.09 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.70 1u6f n THR 80 Cb 0.31 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.33 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 -4.14 -3.75 -0.78 5.12 0.28 -4.95 116.66 108.45 1u6f n ARG 81 Ca 0.03 0.67 -0.37 0.00 -1.93 0.00 0.00 57.85 56.25 1u6f n ARG 81 Cb 0.21 -5.45 -0.06 0.00 -1.16 0.00 0.00 32.46 26.00 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 -5.89 3.68 -0.24 5.56 -1.52 -1.17 -4.88 119.66 115.19 1u6f s GLN 82 Ca 0.37 0.02 -0.28 0.00 -1.95 0.00 0.00 55.36 53.51 1u6f s GLN 82 Cb -0.18 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 1u6f s GLN 82 CO 0.45 0.68 1.96 0.45 -0.25 0.00 0.00 175.29 178.58 1u6f s SER 83 N -0.83 5.81 0.00 5.90 0.15 -1.26 -2.11 113.70 121.37 1u6f s SER 83 Ca 0.17 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.50 1u6f s SER 83 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1u6f s SER 83 CO 0.06 -1.71 0.00 0.54 1.20 0.00 0.00 173.24 173.33 1u6f n ARG 84 N 8.40 0.00 0.00 5.44 1.74 -1.26 -4.52 116.66 126.47 1u6f n ARG 84 Ca 0.25 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1u6f n ARG 84 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 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 1.54 3.82 -0.13 0.00 -1.09 -3.91 105.19 105.42 1u6f n GLY 85 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 0.13 1.61 -0.85 -1.09 -4.48 117.35 112.67 1u6f s TYR 86 Ca 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 1u6f s TYR 86 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1u6f s TYR 86 CO 0.00 -0.61 0.02 0.41 -1.52 0.00 0.00 175.55 173.85 1u6f n GLY 87 N -0.65 3.88 3.17 5.49 0.00 0.13 0.13 105.19 117.34 1u6f n GLY 87 Ca -0.03 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.33 -0.02 -0.21 1.61 0.40 0.63 -0.38 117.98 118.69 1u6f s PHE 88 Ca 0.01 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 1u6f s PHE 88 Cb -0.00 0.00 0.09 0.00 0.51 0.00 0.00 43.02 43.62 1u6f s PHE 88 CO 0.01 -0.37 0.21 0.14 0.70 0.00 0.00 175.22 175.90 1u6f s VAL 89 N -1.82 -0.29 -0.39 -0.44 -7.23 0.65 -1.26 120.40 109.61 1u6f s VAL 89 Ca -0.11 -0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 59.71 1u6f s VAL 89 Cb -0.04 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.22 1u6f s VAL 89 CO 0.00 -0.24 0.62 -0.75 -0.31 0.00 0.00 175.10 174.42 1u6f s LYS 90 N 2.30 3.49 0.60 4.82 2.20 -0.44 -2.01 119.74 130.70 1u6f s LYS 90 Ca 0.06 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1u6f s LYS 90 Cb -0.16 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 1u6f s LYS 90 CO -0.13 -0.85 1.06 -0.06 -0.36 0.00 0.00 175.35 175.01 1u6f s PHE 91 N 2.71 2.99 0.14 4.03 0.40 -0.40 0.13 117.98 127.98 1u6f s PHE 91 Ca 0.23 1.51 -0.26 0.00 -0.60 0.00 0.00 56.93 57.81 1u6f s PHE 91 Cb -0.14 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 1u6f s PHE 91 CO 0.17 -1.12 1.61 1.96 0.70 0.00 0.00 175.22 178.54 1u6f h GLN 92 N 0.40 -0.38 -6.39 0.44 4.20 -1.64 -3.41 115.11 108.34 1u6f h GLN 92 Ca -0.47 0.03 -0.70 0.00 0.06 0.00 0.00 58.65 57.57 1u6f h GLN 92 Cb 1.22 0.09 -0.30 0.00 0.30 0.00 0.00 27.48 28.79 1u6f h GLN 92 CO 0.57 -0.25 -0.88 -1.12 -0.67 0.00 0.00 178.83 176.48 1u6f s SER 93 N -4.92 3.15 0.58 1.46 0.01 -1.26 -4.97 113.70 107.74 1u6f s SER 93 Ca -0.15 -0.46 0.30 0.00 1.31 0.00 0.00 55.95 56.95 1u6f s SER 93 Cb 0.10 -0.55 1.43 0.00 0.21 0.00 0.00 66.02 67.21 1u6f s SER 93 CO 0.66 0.30 1.83 1.23 0.41 0.00 0.00 173.24 177.66 1u6f h GLY 94 N 5.67 0.00 2.00 3.44 0.00 -1.81 0.71 103.07 113.08 1u6f h GLY 94 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1u6f h GLY 94 CO 0.47 0.00 -0.08 1.76 0.00 0.00 0.00 176.54 178.69 1u6f h SER 95 N 0.00 0.00 0.95 0.19 0.02 -1.94 -1.45 113.55 111.33 1u6f h SER 95 Ca 0.30 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 1u6f h SER 95 Cb 1.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 1u6f h SER 95 CO -0.00 0.08 -0.76 -1.28 -1.14 0.00 0.00 176.83 173.73 1u6f h SER 96 N 0.00 0.00 -0.93 3.07 0.87 0.05 -3.23 113.55 113.38 1u6f h SER 96 Ca -0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1u6f h SER 96 Cb 0.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1u6f h SER 96 CO 0.01 0.76 0.62 0.00 -0.53 0.00 0.00 176.83 177.69 1u6f h ALA 97 N 1.24 1.18 -0.58 6.23 0.00 -1.29 -0.70 119.26 125.34 1u6f h ALA 97 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1u6f h ALA 97 Cb 1.44 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1u6f h ALA 97 CO 0.10 0.59 0.23 1.96 0.00 0.00 0.00 179.25 182.12 1u6f h GLN 98 N 1.27 0.41 0.00 0.00 4.20 -1.57 0.33 115.11 119.75 1u6f h GLN 98 Ca 0.34 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.94 1u6f h GLN 98 Cb -0.14 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1u6f h GLN 98 CO -0.07 0.27 -0.43 1.96 -0.67 0.00 0.00 178.83 179.89 1u6f h GLN 99 N 0.42 0.00 0.30 1.46 4.20 -1.56 -1.92 115.11 118.01 1u6f h GLN 99 Ca 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1u6f h GLN 99 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1u6f h GLN 99 CO -0.27 0.43 -0.14 0.00 -0.67 0.00 0.00 178.83 178.17 1u6f h ALA 100 N 1.57 -0.40 0.00 3.87 0.00 0.54 -1.92 119.26 122.92 1u6f h ALA 100 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1u6f h ALA 100 Cb 0.94 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1u6f h ALA 100 CO 0.06 -0.47 -0.04 0.82 0.00 0.00 0.00 179.25 179.62 1u6f h ILE 101 N -0.93 0.68 -0.10 0.00 2.04 -0.47 0.99 117.51 119.72 1u6f h ILE 101 Ca -0.04 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.43 1u6f h ILE 101 Cb 0.51 1.10 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1u6f h ILE 101 CO 0.07 0.04 -0.77 0.00 0.00 0.00 0.00 178.15 177.49 1u6f h ALA 102 N 1.96 0.23 -0.25 1.87 0.00 -1.30 -2.37 119.26 119.39 1u6f h ALA 102 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1u6f h ALA 102 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u6f h ALA 102 CO 0.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1u6f n GLY 103 N 0.81 3.35 0.00 0.00 0.00 -0.73 -4.69 105.19 103.93 1u6f n GLY 103 Ca -0.09 -0.59 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 -0.08 0.42 -4.67 0.99 4.77 0.34 -4.84 117.00 113.93 1u6f n LEU 104 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 1u6f n LEU 104 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1u6f n LEU 104 CO 0.09 0.07 1.55 -3.20 -1.33 0.00 0.00 177.39 174.57 1u6f n ASN 105 N -1.38 4.00 -0.83 -1.43 5.15 -0.89 -0.48 115.26 119.40 1u6f n ASN 105 Ca 0.00 0.93 -0.11 0.00 -0.60 0.00 0.00 54.58 54.81 1u6f n ASN 105 Cb 0.12 -1.50 -0.05 0.00 -0.53 0.00 0.00 39.78 37.82 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 4.45 1.10 3.45 8.20 0.00 0.33 -4.81 105.19 117.91 1u6f n GLY 106 Ca 0.20 -0.12 -0.14 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 -2.38 0.56 -2.43 1.61 7.35 0.37 -4.48 117.46 118.07 1u6f n PHE 107 Ca -0.11 -0.04 -0.38 0.00 -0.76 0.00 0.00 57.45 56.16 1u6f n PHE 107 Cb 0.51 -1.61 -0.02 0.00 0.35 0.00 0.00 39.48 38.71 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 5.27 6.26 0.68 -2.13 4.22 -1.26 0.24 114.94 128.21 1u6f s ASN 108 Ca 0.88 -1.86 -0.11 0.00 -2.14 0.00 0.00 52.86 49.63 1u6f s ASN 108 Cb -0.32 -2.58 -0.00 0.00 1.28 0.00 0.00 41.25 39.63 1u6f s ASN 108 CO 0.24 -1.76 1.06 -0.51 -2.04 0.00 0.00 177.10 174.10 1u6f s ILE 109 N 6.22 4.04 0.65 0.54 2.07 0.39 -4.90 121.20 130.20 1u6f s ILE 109 Ca 0.56 0.66 0.24 0.00 -1.41 0.00 0.00 60.65 60.70 1u6f s ILE 109 Cb 0.01 -3.57 0.26 0.00 0.13 0.00 0.00 42.46 39.28 1u6f s ILE 109 CO 0.03 -0.86 1.71 0.25 -1.91 0.00 0.00 174.94 174.15 1u6f h LEU 110 N -0.58 0.00 0.00 8.50 7.12 -2.04 -2.62 115.31 125.69 1u6f h LEU 110 Ca -0.45 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.29 1u6f h LEU 110 Cb 1.22 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.30 1u6f h LEU 110 CO 0.61 0.00 -2.01 0.59 -0.13 0.00 0.00 178.44 177.51 1u6f n ASN 111 N -2.95 2.31 -1.91 1.25 4.13 -1.26 -5.10 115.26 111.73 1u6f n ASN 111 Ca 0.01 -0.01 -0.08 0.00 1.68 0.00 0.00 54.58 56.18 1u6f n ASN 111 Cb 0.60 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 1u6f n ASN 111 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1u6f n LYS 112 N -3.22 0.22 -3.94 3.52 0.00 -0.99 -5.15 118.16 108.60 1u6f n LYS 112 Ca -0.32 -1.33 -0.29 0.00 -0.00 0.00 0.00 58.31 56.36 1u6f n LYS 112 Cb 0.81 1.15 -0.16 0.00 -0.00 0.00 0.00 35.03 36.83 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 -2.49 1.73 -0.67 -1.58 3.52 -1.26 0.15 118.95 118.35 1u6f s ARG 113 Ca 0.15 -0.70 -0.27 0.00 -0.13 0.00 0.00 55.73 54.78 1u6f s ARG 113 Cb 0.00 -2.25 0.02 0.00 -1.56 0.00 0.00 34.95 31.17 1u6f s ARG 113 CO 0.11 -0.44 1.40 -0.51 -0.81 0.00 0.00 175.30 175.05 1u6f s LEU 114 N 1.51 3.25 -0.26 -0.88 1.43 0.14 -4.72 118.68 119.15 1u6f s LEU 114 Ca -0.01 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 1u6f s LEU 114 Cb -0.16 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1u6f s LEU 114 CO -0.08 -1.88 0.69 -0.75 0.23 0.00 0.00 176.35 174.56 1u6f s LYS 115 N 5.86 4.11 -0.10 1.70 2.20 -0.90 0.12 119.74 132.74 1u6f s LYS 115 Ca 0.45 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.71 1u6f s LYS 115 Cb -0.09 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1u6f s LYS 115 CO 0.19 -0.46 -0.10 0.08 -0.36 0.00 0.00 175.35 174.70 1u6f s VAL 116 N 2.62 1.12 -0.03 4.02 1.01 -1.25 -0.30 120.40 127.60 1u6f s VAL 116 Ca 0.29 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1u6f s VAL 116 Cb -0.15 -1.09 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1u6f s VAL 116 CO 0.08 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 1u6f s ALA 117 N 1.29 0.77 0.27 5.51 0.00 0.11 -4.64 121.76 125.07 1u6f s ALA 117 Ca -0.02 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1u6f s ALA 117 Cb -0.14 -0.33 -0.11 0.00 0.00 0.00 0.00 23.12 22.55 1u6f s ALA 117 CO -0.04 0.10 1.50 -1.17 0.00 0.00 0.00 175.76 176.15 1u6f s LEU 118 N 0.35 4.37 0.05 0.00 1.98 -1.26 0.13 118.68 124.30 1u6f s LEU 118 Ca -0.05 2.79 -0.18 0.00 -2.89 0.00 0.00 54.13 53.80 1u6f s LEU 118 Cb -0.10 -3.63 -0.14 0.00 0.66 0.00 0.00 46.19 42.99 1u6f s LEU 118 CO 0.00 -0.79 1.32 0.00 -1.89 0.00 0.00 176.35 174.99 1u6f h ALA 119 N 4.91 0.26 0.00 5.97 0.00 -1.77 -3.46 119.26 125.17 1u6f h ALA 119 Ca -0.46 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1u6f h ALA 119 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u6f h ALA 119 CO 0.78 0.26 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1u6f n ALA 120 N -2.48 0.00 -3.35 0.00 0.00 -1.26 -4.34 120.51 109.08 1u6f n ALA 120 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1u6f n ALA 120 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1u6f n ALA 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6f s SER 121 N 0.00 0.86 0.00 0.00 0.15 -1.26 -4.85 113.70 108.59 1u6f s SER 121 Ca 0.00 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1u6f s SER 121 Cb 0.00 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 1u6f s SER 121 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1u6f n GLY 122 N 5.34 0.32 3.80 9.45 0.00 -1.26 -4.99 105.19 117.85 1u6f n GLY 122 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1u6f n GLY 122 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6f s HIS 123 N 0.00 3.47 -0.08 1.61 -3.43 -1.26 -5.04 115.29 110.55 1u6f s HIS 123 Ca 0.00 1.69 -0.16 0.00 -0.80 0.00 0.00 55.06 55.79 1u6f s HIS 123 Cb 0.00 -2.90 -0.05 0.00 -1.43 0.00 0.00 32.58 28.20 1u6f s HIS 123 CO 0.00 -0.02 0.41 1.14 -2.00 0.00 0.00 174.74 174.28 1u6f s GLN 124 N -2.65 4.15 -0.30 -0.38 -2.07 -1.26 -5.06 119.66 112.10 1u6f s GLN 124 Ca 0.57 0.36 -0.05 0.00 -1.82 0.00 0.00 55.36 54.42 1u6f s GLN 124 Cb -0.14 -3.35 0.16 0.00 -1.09 0.00 0.00 33.01 28.60 1u6f s GLN 124 CO 0.19 0.39 0.61 -0.98 -1.32 0.00 0.00 175.29 174.18 1u6f s ARG 125 N -0.10 0.56 0.43 9.60 1.70 -1.26 -5.03 118.95 124.86 1u6f s ARG 125 Ca 0.23 1.17 0.19 0.00 -0.47 0.00 0.00 55.73 56.86 1u6f s ARG 125 Cb -0.15 0.65 0.97 0.00 -0.57 0.00 0.00 34.95 35.85 1u6f s ARG 125 CO 0.10 -0.45 1.89 -1.00 -1.08 0.00 0.00 175.30 174.76 1u6f h PRO 126 N 8.01 0.00 0.00 3.89 0.13 -2.01 -3.46 132.00 138.56 1u6f h PRO 126 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1u6f h PRO 126 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1u6f h PRO 126 CO 0.20 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 1u6f n GLY 127 N -0.37 0.62 3.42 1.56 0.00 -1.26 -4.86 105.19 104.30 1u6f n GLY 127 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 -7.20 0.00 -0.61 5.41 -1.26 -4.92 119.36 110.78 1u6f n ILE 128 Ca 0.00 -0.95 0.00 0.00 1.00 0.00 0.00 62.75 62.80 1u6f n ILE 128 Cb 0.00 -5.43 0.00 0.00 -0.71 0.00 0.00 39.64 33.50 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 -3.75 3.00 -2.99 -1.39 0.00 -1.26 -5.07 120.51 109.05 1u6f n ALA 129 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1u6f n ALA 129 Cb 0.64 0.11 0.05 0.00 0.00 0.00 0.00 19.45 20.25 1u6f n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u6f n GLY 130 N 1.83 -0.03 0.10 0.00 0.00 -1.26 -5.04 105.19 100.79 1u6f n GLY 130 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.31 0.01 -0.04 4.61 0.00 -1.26 -5.07 120.51 115.45 1u6f n ALA 131 Ca -0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1u6f n ALA 131 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1u6f n ALA 131 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u6f n VAL 132 N -1.37 0.44 0.00 0.00 0.24 -1.26 -5.10 118.33 111.27 1u6f n VAL 132 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1u6f n VAL 132 Cb 0.02 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1u6f n VAL 132 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u6f n GLY 133 N 3.05 1.79 3.03 7.63 0.00 -1.26 -4.94 105.19 114.49 1u6f n GLY 133 Ca -0.13 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.00 4.71 0.00 1.61 1.11 -1.26 -4.76 116.67 114.08 1u6f s ASP 134 Ca 0.00 -2.00 0.00 0.00 0.18 0.00 0.00 52.55 50.73 1u6f s ASP 134 Cb 0.00 -1.61 0.00 0.00 1.07 0.00 0.00 42.92 42.38 1u6f s ASP 134 CO 0.00 -0.34 0.00 0.61 1.18 0.00 0.00 175.17 176.62 1u6f n GLY 135 N 4.29 0.42 1.43 0.21 0.00 -1.26 -5.16 105.19 105.13 1u6f n GLY 135 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.22 1u6f n GLY 135 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u6f n ASN 136 N 0.00 -8.20 -3.65 1.61 4.13 -1.26 -5.04 115.26 102.85 1u6f n ASN 136 Ca 0.00 1.25 -0.01 0.00 1.68 0.00 0.00 54.58 57.50 1u6f n ASN 136 Cb 0.00 -4.80 -0.06 0.00 -1.54 0.00 0.00 39.78 33.38 1u6f n ASN 136 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1u6f s GLY 137 N -7.24 0.31 0.25 7.41 0.00 -1.26 -5.08 107.32 101.71 1u6f s GLY 137 Ca 0.00 3.46 0.00 0.00 0.00 0.00 0.00 44.72 48.18 1u6f s GLY 137 CO 0.00 2.57 0.00 -1.72 0.00 0.00 0.00 173.10 173.95 1u6f n TYR 138 N 3.15 -2.25 -0.08 1.90 4.01 -1.26 -5.24 117.16 117.40 1u6f n TYR 138 Ca -0.17 0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1u6f n TYR 138 Cb 0.57 0.59 0.00 0.00 -0.31 0.00 0.00 39.34 40.19 1u6f n TYR 138 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87