#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6f s VAL 2 N 0.00 0.28 0.40 1.61 1.01 -1.26 -3.22 120.40 119.21 1b6f s VAL 2 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1b6f s VAL 2 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1b6f s VAL 2 CO 0.00 -0.35 0.34 -0.36 0.00 0.00 0.00 175.10 174.73 1b6f s PHE 3 N -1.15 2.73 -0.09 5.22 0.40 0.19 -4.95 117.98 120.33 1b6f s PHE 3 Ca -0.11 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 1b6f s PHE 3 Cb -0.08 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.39 1b6f s PHE 3 CO -0.00 -0.04 0.32 -0.80 0.70 0.00 0.00 175.22 175.40 1b6f s ASN 4 N -4.08 -0.29 -0.44 1.36 -0.87 -1.26 -1.71 114.94 107.65 1b6f s ASN 4 Ca 0.46 0.48 0.07 0.00 -1.57 0.00 0.00 52.86 52.30 1b6f s ASN 4 Cb -0.03 0.56 0.32 0.00 -0.02 0.00 0.00 41.25 42.08 1b6f s ASN 4 CO 0.27 -0.22 1.01 -1.22 -2.57 0.00 0.00 177.10 174.37 1b6f n TYR 5 N 2.39 -2.12 -2.74 2.20 4.01 0.91 -4.97 117.16 116.83 1b6f n TYR 5 Ca -0.16 -2.54 -0.33 0.00 -0.16 0.00 0.00 57.90 54.71 1b6f n TYR 5 Cb 0.57 1.11 -0.06 0.00 -0.31 0.00 0.00 39.34 40.65 1b6f n TYR 5 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1b6f s GLU 6 N -0.39 4.17 0.29 -0.72 -6.30 -1.25 -3.37 118.70 111.14 1b6f s GLU 6 Ca 0.27 1.07 -0.05 0.00 -2.50 0.00 0.00 54.97 53.76 1b6f s GLU 6 Cb 0.30 -2.18 -0.01 0.00 0.00 0.00 0.00 34.13 32.25 1b6f s GLU 6 CO -0.07 -0.07 0.42 0.95 0.02 0.00 0.00 175.26 176.51 1b6f s THR 7 N -2.27 0.00 0.20 -1.70 -4.23 0.29 -4.87 115.64 103.06 1b6f s THR 7 Ca 0.61 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.30 1b6f s THR 7 Cb -0.09 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.31 1b6f s THR 7 CO 0.17 0.00 0.60 -1.83 -0.54 0.00 0.00 174.62 173.02 1b6f s GLU 8 N -3.54 1.42 0.05 3.99 -1.05 -1.26 0.11 118.70 118.42 1b6f s GLU 8 Ca 0.30 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 54.15 1b6f s GLU 8 Cb 0.01 0.57 0.07 0.00 -0.44 0.00 0.00 34.13 34.34 1b6f s GLU 8 CO 0.16 -0.62 0.64 0.99 0.95 0.00 0.00 175.26 177.37 1b6f s THR 9 N -3.82 0.00 0.44 1.83 2.01 0.36 -4.97 115.64 111.49 1b6f s THR 9 Ca 0.05 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 1b6f s THR 9 Cb -0.02 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1b6f s THR 9 CO -0.06 -0.00 0.67 0.42 -0.69 0.00 0.00 174.62 174.96 1b6f s THR 10 N -2.47 4.23 -0.25 -0.82 -4.23 -1.26 -0.70 115.64 110.14 1b6f s THR 10 Ca -0.05 -0.40 -0.22 0.00 -1.18 0.00 0.00 61.69 59.84 1b6f s THR 10 Cb -0.01 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.33 1b6f s THR 10 CO -0.01 -0.42 0.66 -0.44 -0.54 0.00 0.00 174.62 173.86 1b6f s SER 11 N -4.18 -0.71 0.18 3.99 0.01 -0.20 -4.90 113.70 107.88 1b6f s SER 11 Ca 0.47 1.35 0.27 0.00 1.31 0.00 0.00 55.95 59.34 1b6f s SER 11 Cb -0.10 1.35 0.88 0.00 0.21 0.00 0.00 66.02 68.36 1b6f s SER 11 CO 0.39 -0.23 1.80 0.52 0.41 0.00 0.00 173.24 176.13 1b6f n VAL 12 N 2.89 0.50 -2.11 3.43 0.31 -1.26 0.77 118.33 122.86 1b6f n VAL 12 Ca -0.15 -0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 63.59 1b6f n VAL 12 Cb 0.56 -0.57 0.02 0.00 -0.91 0.00 0.00 33.84 32.93 1b6f n VAL 12 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b6f s ILE 13 N -3.08 2.90 0.57 2.52 -1.09 -1.26 -4.02 121.20 117.74 1b6f s ILE 13 Ca 0.11 0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 58.89 1b6f s ILE 13 Cb 0.13 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 1b6f s ILE 13 CO 0.59 -0.13 1.18 -2.16 -1.23 0.00 0.00 174.94 173.18 1b6f s PRO 14 N -3.35 3.14 0.35 2.79 0.04 -1.26 -2.87 135.00 133.85 1b6f s PRO 14 Ca 0.75 1.74 0.19 0.00 0.04 0.00 0.00 61.00 63.72 1b6f s PRO 14 Cb -0.27 -1.97 0.51 0.00 0.04 0.00 0.00 34.50 32.81 1b6f s PRO 14 CO 0.31 -1.05 1.65 0.00 0.04 0.00 0.00 177.00 177.94 1b6f h ALA 15 N 1.03 0.88 0.08 8.56 0.00 -1.88 -2.29 119.26 125.65 1b6f h ALA 15 Ca -0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1b6f h ALA 15 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b6f h ALA 15 CO 0.56 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 180.25 1b6f h ALA 16 N 1.61 -0.11 -0.07 0.00 0.00 -1.91 -2.10 119.26 116.68 1b6f h ALA 16 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1b6f h ALA 16 Cb 1.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1b6f h ALA 16 CO 0.05 -0.15 -0.26 0.00 0.00 0.00 0.00 179.25 178.89 1b6f h ARG 17 N -0.94 0.11 -0.07 0.00 3.08 -1.97 -2.24 114.38 112.35 1b6f h ARG 17 Ca -0.01 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1b6f h ARG 17 Cb 0.52 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1b6f h ARG 17 CO 0.02 0.37 -0.56 1.25 -1.07 0.00 0.00 179.97 179.97 1b6f h LEU 18 N 0.10 0.24 0.24 3.04 5.85 -1.49 -2.63 115.31 120.67 1b6f h LEU 18 Ca 0.02 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1b6f h LEU 18 Cb 0.51 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1b6f h LEU 18 CO 0.04 0.75 -0.12 0.15 -0.34 0.00 0.00 178.44 178.92 1b6f h PHE 19 N 0.16 -0.30 -0.92 1.25 3.57 -0.79 -0.78 116.94 119.13 1b6f h PHE 19 Ca -0.00 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.74 1b6f h PHE 19 Cb 1.04 0.10 -0.13 0.00 2.79 0.00 0.00 35.95 39.74 1b6f h PHE 19 CO 0.02 -0.19 0.39 -0.22 -2.23 0.00 0.00 178.31 176.08 1b6f h LYS 20 N -0.59 0.33 -0.20 1.11 3.64 -1.56 1.97 116.57 121.27 1b6f h LYS 20 Ca -0.03 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1b6f h LYS 20 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1b6f h LYS 20 CO 0.06 0.22 -0.50 0.00 -2.27 0.00 0.00 179.45 176.95 1b6f h ALA 21 N 1.76 0.75 0.00 5.00 0.00 -1.52 2.04 119.26 127.30 1b6f h ALA 21 Ca 0.60 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1b6f h ALA 21 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1b6f h ALA 21 CO -0.58 0.68 -0.68 0.34 0.00 0.00 0.00 179.25 179.01 1b6f n PHE 22 N -3.98 0.10 0.03 0.00 -0.00 0.71 0.22 117.46 114.55 1b6f n PHE 22 Ca -0.03 0.03 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1b6f n PHE 22 Cb 0.58 -0.29 -0.00 0.00 -0.00 0.00 0.00 39.48 39.77 1b6f n PHE 22 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1b6f n ILE 23 N -1.64 0.98 0.22 -2.13 -0.00 0.64 -3.68 119.36 113.74 1b6f n ILE 23 Ca 0.04 0.31 0.10 0.00 -0.00 0.00 0.00 62.75 63.21 1b6f n ILE 23 Cb 0.36 -1.50 0.41 0.00 -0.00 0.00 0.00 39.64 38.91 1b6f n ILE 23 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1b6f h LEU 24 N -0.05 0.00 -1.04 1.39 3.38 -0.51 -3.27 115.31 115.20 1b6f h LEU 24 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b6f h LEU 24 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1b6f h LEU 24 CO 0.00 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.08 1b6f n ASP 25 N -3.33 0.73 -0.24 -0.43 -0.08 0.66 -4.75 116.55 109.11 1b6f n ASP 25 Ca 0.01 -1.17 0.00 0.00 -1.51 0.00 0.00 54.79 52.12 1b6f n ASP 25 Cb 0.46 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.15 1b6f n ASP 25 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1b6f h GLY 26 N 0.00 1.11 1.94 0.27 0.00 0.27 0.42 103.07 107.09 1b6f h GLY 26 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1b6f h GLY 26 CO 0.00 0.40 0.02 -0.55 0.00 0.00 0.00 176.54 176.41 1b6f h ASP 27 N 1.06 0.00 0.12 0.19 3.32 -1.81 0.57 116.42 119.86 1b6f h ASP 27 Ca 0.29 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1b6f h ASP 27 Cb -0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1b6f h ASP 27 CO -0.07 0.00 -1.98 -3.20 -1.72 0.00 0.00 179.24 172.27 1b6f n ASN 28 N -3.86 0.11 0.04 6.45 5.15 -0.23 -4.32 115.26 118.59 1b6f n ASN 28 Ca -0.02 0.05 0.05 0.00 -0.60 0.00 0.00 54.58 54.06 1b6f n ASN 28 Cb 0.11 1.55 -0.08 0.00 -0.53 0.00 0.00 39.78 40.83 1b6f n ASN 28 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1b6f n LEU 29 N -2.44 0.60 0.36 1.20 4.32 -0.03 -3.75 117.00 117.27 1b6f n LEU 29 Ca -0.11 0.25 -0.18 0.00 -0.02 0.00 0.00 56.01 55.95 1b6f n LEU 29 Cb 0.72 0.05 -0.09 0.00 -1.62 0.00 0.00 43.42 42.48 1b6f n LEU 29 CO 0.45 0.03 0.60 -0.26 -1.22 0.00 0.00 177.39 176.98 1b6f h PHE 30 N 0.00 -1.08 0.00 -1.77 0.04 -0.08 0.12 116.94 114.16 1b6f h PHE 30 Ca -0.10 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1b6f h PHE 30 Cb 1.31 0.39 0.00 0.00 2.20 0.00 0.00 35.95 39.85 1b6f h PHE 30 CO 0.00 -0.61 0.00 -0.35 -0.60 0.00 0.00 178.31 176.75 1b6f n PRO 31 N -5.54 0.77 -0.05 1.51 -0.04 -1.26 -1.68 135.00 128.71 1b6f n PRO 31 Ca -0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1b6f n PRO 31 Cb 0.43 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1b6f n PRO 31 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b6f n LYS 32 N -0.85 0.39 0.17 0.54 5.02 -0.63 -4.33 118.16 118.46 1b6f n LYS 32 Ca 0.13 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1b6f n LYS 32 Cb 0.06 -1.18 0.17 0.00 -0.02 0.00 0.00 35.03 34.06 1b6f n LYS 32 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1b6f h VAL 33 N -0.73 0.00 -2.10 -0.18 -1.51 -0.93 -3.38 116.25 107.42 1b6f h VAL 33 Ca 0.00 -0.89 -0.57 0.00 -1.23 0.00 0.00 66.70 64.01 1b6f h VAL 33 Cb 0.73 1.75 -0.39 0.00 -2.13 0.00 0.00 31.29 31.25 1b6f h VAL 33 CO 0.00 0.00 -1.04 0.00 -1.23 0.00 0.00 177.57 175.30 1b6f n ALA 34 N -2.05 2.63 0.40 5.19 0.00 -0.67 -4.87 120.51 121.13 1b6f n ALA 34 Ca 0.03 -3.45 0.14 0.00 0.00 0.00 0.00 53.44 50.16 1b6f n ALA 34 Cb 0.51 -0.81 0.48 0.00 0.00 0.00 0.00 19.45 19.63 1b6f n ALA 34 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1b6f h PRO 35 N 4.34 0.00 0.00 0.00 0.13 -1.75 -2.89 132.00 131.83 1b6f h PRO 35 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1b6f h PRO 35 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1b6f h PRO 35 CO 0.47 0.00 0.00 0.37 -0.23 0.00 0.00 178.00 178.61 1b6f h GLN 36 N 0.00 0.00 0.00 0.86 4.15 -1.91 -3.37 115.11 114.84 1b6f h GLN 36 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1b6f h GLN 36 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1b6f h GLN 36 CO 0.00 0.00 -0.51 0.00 -1.93 0.00 0.00 178.83 176.39 1b6f n ALA 37 N -1.87 1.02 -2.54 3.38 0.00 -1.10 -4.88 120.51 114.52 1b6f n ALA 37 Ca 0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1b6f n ALA 37 Cb 0.35 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 1b6f n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b6f s ILE 38 N -2.09 5.06 -0.22 0.00 1.09 -1.14 -4.25 121.20 119.65 1b6f s ILE 38 Ca -0.15 0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.98 1b6f s ILE 38 Cb 0.02 -3.67 -0.14 0.00 -1.06 0.00 0.00 42.46 37.61 1b6f s ILE 38 CO 0.22 0.34 -0.20 -0.24 -0.10 0.00 0.00 174.94 174.96 1b6f n SER 39 N 1.07 2.27 -3.53 3.58 2.88 -0.45 -4.47 113.62 114.97 1b6f n SER 39 Ca -0.09 -0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.26 1b6f n SER 39 Cb 0.52 -0.36 -0.02 0.00 -0.75 0.00 0.00 64.21 63.61 1b6f n SER 39 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1b6f s SER 40 N -6.16 -0.35 0.07 -3.46 0.01 -1.18 -4.91 113.70 97.72 1b6f s SER 40 Ca -0.30 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1b6f s SER 40 Cb 0.08 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1b6f s SER 40 CO 0.51 -0.67 -0.09 0.68 0.41 0.00 0.00 173.24 174.08 1b6f s VAL 41 N -3.16 0.74 -0.29 3.43 -7.23 -1.26 0.17 120.40 112.81 1b6f s VAL 41 Ca 0.06 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1b6f s VAL 41 Cb -0.01 -1.08 0.18 0.00 0.56 0.00 0.00 36.38 36.03 1b6f s VAL 41 CO -0.08 -0.51 0.54 -0.70 -0.31 0.00 0.00 175.10 174.04 1b6f s GLU 42 N -2.38 0.52 -0.08 4.82 2.56 0.88 -4.92 118.70 120.09 1b6f s GLU 42 Ca -0.00 0.64 -0.29 0.00 0.00 0.00 0.00 54.97 55.31 1b6f s GLU 42 Cb -0.05 0.19 -0.06 0.00 2.00 0.00 0.00 34.13 36.21 1b6f s GLU 42 CO -0.01 -0.86 1.81 1.21 -0.56 0.00 0.00 175.26 176.85 1b6f s ASN 43 N 2.77 6.39 -0.02 -1.70 2.47 -1.26 0.16 114.94 123.76 1b6f s ASN 43 Ca 0.14 2.20 -0.09 0.00 0.42 0.00 0.00 52.86 55.53 1b6f s ASN 43 Cb -0.13 -2.53 -0.30 0.00 -1.45 0.00 0.00 41.25 36.84 1b6f s ASN 43 CO -0.24 -1.16 0.79 0.40 -3.72 0.00 0.00 177.10 173.17 1b6f h ILE 44 N 5.90 1.07 -3.57 -5.21 1.08 0.17 -3.47 117.51 113.49 1b6f h ILE 44 Ca -0.41 -2.65 -0.10 0.00 -0.39 0.00 0.00 64.86 61.30 1b6f h ILE 44 Cb 1.20 2.80 -0.06 0.00 -3.07 0.00 0.00 36.82 37.69 1b6f h ILE 44 CO 0.96 0.84 -0.00 -0.70 -0.69 0.00 0.00 178.15 178.55 1b6f s GLU 45 N -2.60 1.87 0.36 2.37 2.12 -0.21 -4.95 118.70 117.65 1b6f s GLU 45 Ca -0.12 -1.44 0.00 0.00 0.36 0.00 0.00 54.97 53.77 1b6f s GLU 45 Cb 0.06 0.52 0.00 0.00 0.26 0.00 0.00 34.13 34.96 1b6f s GLU 45 CO 0.87 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1b6f n GLY 46 N -0.49 -2.83 1.95 -1.50 0.00 -1.26 -1.30 105.19 99.76 1b6f n GLY 46 Ca -0.03 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 1b6f n GLY 46 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b6f n ASN 47 N -3.53 5.01 0.00 1.61 4.13 -1.26 -4.76 115.26 116.47 1b6f n ASN 47 Ca -0.05 -3.75 0.00 0.00 1.68 0.00 0.00 54.58 52.46 1b6f n ASN 47 Cb 0.42 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 1b6f n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b6f n GLY 48 N -0.98 0.63 0.00 7.41 0.00 -1.26 -5.03 105.19 105.96 1b6f n GLY 48 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1b6f n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6f n GLY 49 N -2.71 0.25 3.66 -0.02 0.00 -1.26 -4.90 105.19 100.20 1b6f n GLY 49 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1b6f n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b6f s PRO 50 N 1.10 4.19 0.00 1.61 0.04 -1.26 -2.75 135.00 137.93 1b6f s PRO 50 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1b6f s PRO 50 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1b6f s PRO 50 CO 0.00 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1b6f n GLY 51 N 3.68 0.65 3.75 0.56 0.00 0.26 -4.92 105.19 109.17 1b6f n GLY 51 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1b6f n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6f s THR 52 N -2.23 3.03 -0.08 2.61 2.01 -1.11 -4.47 115.64 115.39 1b6f s THR 52 Ca 0.00 0.42 0.04 0.00 0.31 0.00 0.00 61.69 62.46 1b6f s THR 52 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1b6f s THR 52 CO 0.00 -0.35 -0.22 -0.63 -0.69 0.00 0.00 174.62 172.74 1b6f s ILE 53 N -2.48 1.86 -0.04 1.82 1.01 -0.42 0.68 121.20 123.63 1b6f s ILE 53 Ca 0.66 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1b6f s ILE 53 Cb -0.21 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1b6f s ILE 53 CO 0.48 0.52 0.12 -0.54 0.00 0.00 0.00 174.94 175.52 1b6f s LYS 54 N 0.30 0.16 -0.28 2.79 1.02 -0.84 0.19 119.74 123.08 1b6f s LYS 54 Ca -0.15 0.13 -0.17 0.00 0.02 0.00 0.00 55.97 55.80 1b6f s LYS 54 Cb -0.17 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1b6f s LYS 54 CO 0.07 -0.02 0.47 0.21 -0.92 0.00 0.00 175.35 175.15 1b6f s LYS 55 N -0.03 3.96 -0.20 1.68 2.20 0.43 -0.24 119.74 127.54 1b6f s LYS 55 Ca -0.01 0.13 -0.09 0.00 -0.36 0.00 0.00 55.97 55.64 1b6f s LYS 55 Cb -0.01 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 1b6f s LYS 55 CO 0.00 -0.38 0.10 0.42 -0.36 0.00 0.00 175.35 175.13 1b6f s ILE 56 N 2.24 5.00 0.31 5.43 -1.09 0.27 -0.08 121.20 133.28 1b6f s ILE 56 Ca 0.18 0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.58 1b6f s ILE 56 Cb -0.16 -3.28 -0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1b6f s ILE 56 CO 0.10 0.42 0.62 -0.44 -1.23 0.00 0.00 174.94 174.42 1b6f s SER 57 N 0.62 6.51 -0.06 3.58 0.01 0.45 -0.52 113.70 124.29 1b6f s SER 57 Ca 0.05 0.89 0.06 0.00 1.31 0.00 0.00 55.95 58.26 1b6f s SER 57 Cb -0.13 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 1b6f s SER 57 CO 0.01 -0.24 -0.24 -0.36 0.41 0.00 0.00 173.24 172.82 1b6f s PHE 58 N -2.12 2.47 -0.28 2.43 0.40 -1.26 -1.34 117.98 118.28 1b6f s PHE 58 Ca 0.47 -0.72 -0.29 0.00 -0.60 0.00 0.00 56.93 55.79 1b6f s PHE 58 Cb -0.11 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 1b6f s PHE 58 CO 0.28 -0.22 1.56 -1.25 0.70 0.00 0.00 175.22 176.30 1b6f s PRO 59 N -0.13 3.70 0.18 0.24 0.04 -1.26 -4.61 135.00 133.15 1b6f s PRO 59 Ca -0.04 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1b6f s PRO 59 Cb -0.14 -4.03 0.07 0.00 0.04 0.00 0.00 34.50 30.43 1b6f s PRO 59 CO 0.04 -1.41 0.98 -2.00 0.04 0.00 0.00 177.00 174.66 1b6f s GLU 60 N 4.80 1.29 0.00 4.56 2.56 -1.26 -5.02 118.70 125.63 1b6f s GLU 60 Ca 0.69 -0.77 0.10 0.00 0.00 0.00 0.00 54.97 54.98 1b6f s GLU 60 Cb -0.21 0.40 0.25 0.00 2.00 0.00 0.00 34.13 36.57 1b6f s GLU 60 CO 0.30 -0.60 1.17 0.41 -0.56 0.00 0.00 175.26 175.98 1b6f n GLY 61 N -0.56 2.29 3.98 -1.50 0.00 -1.26 -5.01 105.19 103.13 1b6f n GLY 61 Ca -0.05 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1b6f n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6f s PHE 62 N -0.98 1.53 -0.05 1.61 0.40 -1.26 -5.03 117.98 114.20 1b6f s PHE 62 Ca 0.20 -0.20 -0.19 0.00 -0.60 0.00 0.00 56.93 56.14 1b6f s PHE 62 Cb 0.11 -3.18 -0.14 0.00 0.51 0.00 0.00 43.02 40.32 1b6f s PHE 62 CO 0.14 -1.90 0.81 -1.00 0.70 0.00 0.00 175.22 173.97 1b6f h PRO 63 N -0.73 -0.27 -5.95 0.24 0.13 -2.03 -3.45 132.00 119.93 1b6f h PRO 63 Ca -0.37 0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 1b6f h PRO 63 Cb 1.26 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1b6f h PRO 63 CO 0.39 0.09 -0.43 -0.59 -0.23 0.00 0.00 178.00 177.24 1b6f s PHE 64 N -3.38 3.53 0.00 1.56 -0.12 -1.26 -4.87 117.98 113.43 1b6f s PHE 64 Ca -0.11 0.42 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1b6f s PHE 64 Cb 0.01 -1.89 0.00 0.00 -0.63 0.00 0.00 43.02 40.51 1b6f s PHE 64 CO 0.42 0.57 0.00 0.36 -0.05 0.00 0.00 175.22 176.51 1b6f n LYS 65 N 0.56 0.00 0.00 1.99 2.85 -1.26 -5.02 118.16 117.27 1b6f n LYS 65 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 1b6f n LYS 65 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1b6f n LYS 65 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1b6f n TYR 66 N -1.02 -2.19 0.00 5.58 0.18 -1.26 -4.06 117.16 114.39 1b6f n TYR 66 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1b6f n TYR 66 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1b6f n TYR 66 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 1b6f n VAL 67 N -2.62 0.00 -5.11 -3.48 3.14 0.32 -3.95 118.33 106.63 1b6f n VAL 67 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1b6f n VAL 67 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 1b6f n VAL 67 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1b6f s LYS 68 N -2.00 2.48 -0.11 1.45 2.20 0.72 0.95 119.74 125.43 1b6f s LYS 68 Ca 0.00 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1b6f s LYS 68 Cb 0.00 -2.24 0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1b6f s LYS 68 CO 0.00 0.50 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.83 1b6f s ASP 69 N -0.45 2.43 -0.09 1.43 1.01 0.66 -0.72 116.67 120.94 1b6f s ASP 69 Ca 0.05 -0.43 -0.15 0.00 0.71 0.00 0.00 52.55 52.73 1b6f s ASP 69 Cb -0.12 -1.09 -0.05 0.00 1.01 0.00 0.00 42.92 42.68 1b6f s ASP 69 CO 0.01 0.02 0.38 -0.60 0.21 0.00 0.00 175.17 175.19 1b6f s ARG 70 N 0.95 4.14 0.39 8.23 3.52 0.35 -1.99 118.95 134.54 1b6f s ARG 70 Ca -0.07 0.30 -0.25 0.00 -0.13 0.00 0.00 55.73 55.57 1b6f s ARG 70 Cb -0.15 -3.35 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 1b6f s ARG 70 CO -0.01 0.38 1.12 0.08 -0.81 0.00 0.00 175.30 176.06 1b6f s VAL 71 N -0.03 3.39 -0.02 7.11 1.01 0.21 0.19 120.40 132.27 1b6f s VAL 71 Ca 0.22 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 1b6f s VAL 71 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1b6f s VAL 71 CO 0.09 0.09 -0.02 0.47 0.00 0.00 0.00 175.10 175.72 1b6f n ASP 72 N 0.13 0.20 -3.79 3.32 8.00 0.70 0.90 116.55 126.01 1b6f n ASP 72 Ca 0.04 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 1b6f n ASP 72 Cb 0.47 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.90 1b6f n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1b6f s GLU 73 N -1.15 0.11 0.09 -1.24 2.56 -0.92 -3.85 118.70 114.29 1b6f s GLU 73 Ca -0.02 0.27 0.09 0.00 0.00 0.00 0.00 54.97 55.31 1b6f s GLU 73 Cb 0.00 -0.07 -0.04 0.00 2.00 0.00 0.00 34.13 36.03 1b6f s GLU 73 CO 0.03 -0.10 -0.21 0.08 -0.56 0.00 0.00 175.26 174.51 1b6f s VAL 74 N 0.66 2.65 -0.28 3.70 1.01 -1.25 0.13 120.40 127.02 1b6f s VAL 74 Ca -0.05 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.50 1b6f s VAL 74 Cb -0.07 -2.16 0.16 0.00 0.00 0.00 0.00 36.38 34.32 1b6f s VAL 74 CO -0.03 0.20 0.46 -1.81 0.00 0.00 0.00 175.10 173.92 1b6f s ASP 75 N -1.80 -0.26 0.00 3.32 1.01 0.11 -4.88 116.67 114.18 1b6f s ASP 75 Ca 0.15 0.12 0.30 0.00 0.71 0.00 0.00 52.55 53.84 1b6f s ASP 75 Cb -0.10 1.43 1.58 0.00 1.01 0.00 0.00 42.92 46.83 1b6f s ASP 75 CO 0.07 -0.31 2.07 1.41 0.21 0.00 0.00 175.17 178.62 1b6f n HIS 76 N 5.38 0.00 -0.07 4.23 8.25 -1.26 -1.40 115.22 130.35 1b6f n HIS 76 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1b6f n HIS 76 Cb 0.51 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 31.31 1b6f n HIS 76 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1b6f n THR 77 N -1.19 0.84 0.36 1.59 -1.04 -1.26 -4.49 114.28 109.10 1b6f n THR 77 Ca 0.16 -0.46 0.12 0.00 -2.04 0.00 0.00 64.05 61.83 1b6f n THR 77 Cb 0.22 -0.80 0.20 0.00 -1.82 0.00 0.00 70.33 68.13 1b6f n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1b6f n ASN 78 N -2.61 3.39 -3.78 8.00 3.02 -1.23 -4.96 115.26 117.09 1b6f n ASN 78 Ca -0.22 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.10 1b6f n ASN 78 Cb 0.86 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.84 1b6f n ASN 78 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1b6f n PHE 79 N 1.45 -2.04 -4.01 3.10 3.72 -0.49 -4.74 117.46 114.44 1b6f n PHE 79 Ca 0.18 0.86 -0.31 0.00 -0.05 0.00 0.00 57.45 58.13 1b6f n PHE 79 Cb 0.60 -4.24 -0.15 0.00 -0.94 0.00 0.00 39.48 34.74 1b6f n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1b6f s LYS 80 N -6.21 1.98 -0.25 -1.08 2.20 -0.95 -2.10 119.74 113.32 1b6f s LYS 80 Ca 0.22 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 1b6f s LYS 80 Cb -0.11 -2.76 0.07 0.00 -1.51 0.00 0.00 37.83 33.52 1b6f s LYS 80 CO 0.82 -0.58 -0.00 -0.47 -0.36 0.00 0.00 175.35 174.75 1b6f s TYR 81 N 1.22 2.19 -0.04 4.03 6.14 -0.11 0.10 117.35 130.88 1b6f s TYR 81 Ca -0.08 -1.72 0.04 0.00 0.64 0.00 0.00 57.07 55.95 1b6f s TYR 81 Cb -0.20 -1.63 -0.03 0.00 0.42 0.00 0.00 41.96 40.52 1b6f s TYR 81 CO -0.05 -0.78 -0.14 -0.80 0.64 0.00 0.00 175.55 174.41 1b6f s ASN 82 N 1.46 4.02 -0.05 4.32 0.02 0.12 -0.46 114.94 124.38 1b6f s ASN 82 Ca -0.01 -0.21 -0.04 0.00 -1.02 0.00 0.00 52.86 51.58 1b6f s ASN 82 Cb -0.18 -0.83 0.01 0.00 0.02 0.00 0.00 41.25 40.27 1b6f s ASN 82 CO -0.10 0.34 0.12 -0.72 0.02 0.00 0.00 177.10 176.76 1b6f s TYR 83 N -0.76 -0.13 0.45 2.20 -0.85 -0.86 0.25 117.35 117.66 1b6f s TYR 83 Ca 0.12 0.32 0.08 0.00 -0.52 0.00 0.00 57.07 57.07 1b6f s TYR 83 Cb -0.11 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.27 1b6f s TYR 83 CO 0.01 -0.07 0.50 -1.12 -1.52 0.00 0.00 175.55 173.35 1b6f s SER 84 N 0.21 5.21 -0.17 -0.18 0.01 0.50 -1.49 113.70 117.79 1b6f s SER 84 Ca -0.01 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.51 1b6f s SER 84 Cb -0.02 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1b6f s SER 84 CO -0.01 -0.84 -0.06 -0.69 0.41 0.00 0.00 173.24 172.06 1b6f s VAL 85 N -2.49 3.52 0.00 3.43 1.01 0.11 -0.49 120.40 125.48 1b6f s VAL 85 Ca 0.51 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1b6f s VAL 85 Cb -0.06 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1b6f s VAL 85 CO 0.30 0.47 0.00 2.30 0.00 0.00 0.00 175.10 178.18 1b6f n ILE 86 N 3.96 0.00 -2.49 2.22 -5.35 0.10 -3.98 119.36 113.82 1b6f n ILE 86 Ca -0.18 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1b6f n ILE 86 Cb 0.52 -0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 1b6f n ILE 86 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1b6f s GLU 87 N -0.38 3.25 0.04 6.28 2.02 -1.18 -4.74 118.70 123.98 1b6f s GLU 87 Ca 0.00 0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.11 1b6f s GLU 87 Cb 0.00 -4.14 -0.02 0.00 0.10 0.00 0.00 34.13 30.06 1b6f s GLU 87 CO 0.00 -2.04 -0.15 0.20 0.02 0.00 0.00 175.26 173.29 1b6f s GLY 88 N 3.99 0.82 0.18 -1.39 0.00 -1.26 0.26 107.32 109.92 1b6f s GLY 88 Ca 0.42 -0.84 -0.26 0.00 0.00 0.00 0.00 44.72 44.04 1b6f s GLY 88 CO 0.20 -0.81 1.55 -1.33 0.00 0.00 0.00 173.10 172.71 1b6f h GLY 89 N 4.95 -0.50 1.95 0.20 0.00 -1.90 0.29 103.07 108.07 1b6f h GLY 89 Ca -0.38 0.64 -0.12 0.00 0.00 0.00 0.00 47.33 47.46 1b6f h GLY 89 CO 0.44 -0.11 -0.56 -0.56 0.00 0.00 0.00 176.54 175.75 1b6f h PRO 90 N -0.13 0.05 -6.99 4.80 0.13 -1.96 -3.44 132.00 124.47 1b6f h PRO 90 Ca 0.20 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.84 1b6f h PRO 90 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1b6f h PRO 90 CO -0.82 0.60 0.36 0.42 -0.23 0.00 0.00 178.00 178.33 1b6f s ILE 91 N -3.77 4.15 0.00 -3.56 1.01 0.10 -4.96 121.20 114.17 1b6f s ILE 91 Ca -0.02 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1b6f s ILE 91 Cb 0.13 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1b6f s ILE 91 CO 0.76 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 176.20 1b6f n GLY 92 N -0.05 0.00 1.15 6.18 0.00 -1.26 -4.05 105.19 107.16 1b6f n GLY 92 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1b6f n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b6f n ASP 93 N -2.21 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 117.69 1b6f n ASP 93 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1b6f n ASP 93 Cb 0.45 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1b6f n ASP 93 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1b6f n THR 94 N -1.87 0.06 -3.00 -3.53 5.66 -1.26 -4.90 114.28 105.45 1b6f n THR 94 Ca 0.00 -0.10 -0.32 0.00 -3.05 0.00 0.00 64.05 60.58 1b6f n THR 94 Cb 0.00 1.44 -0.06 0.00 -1.55 0.00 0.00 70.33 70.17 1b6f n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1b6f s LEU 95 N -0.06 3.98 -1.41 1.09 1.02 -1.26 -3.75 118.68 118.29 1b6f s LEU 95 Ca 0.00 1.36 -0.05 0.00 0.02 0.00 0.00 54.13 55.45 1b6f s LEU 95 Cb 0.00 -4.19 0.03 0.00 0.02 0.00 0.00 46.19 42.05 1b6f s LEU 95 CO 0.00 -0.28 0.44 -0.62 0.02 0.00 0.00 176.35 175.91 1b6f n GLU 96 N -0.61 -3.77 -1.47 1.70 -0.58 0.01 -4.57 120.64 111.33 1b6f n GLU 96 Ca 0.04 0.72 -0.30 0.00 -0.42 0.00 0.00 57.16 57.19 1b6f n GLU 96 Cb 0.53 -5.47 0.08 0.00 -0.57 0.00 0.00 31.44 26.01 1b6f n GLU 96 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1b6f s LYS 97 N -5.68 2.29 -0.03 3.49 2.36 0.86 -4.70 119.74 118.33 1b6f s LYS 97 Ca 0.28 0.84 0.01 0.00 -2.55 0.00 0.00 55.97 54.55 1b6f s LYS 97 Cb -0.14 -1.93 0.02 0.00 -1.05 0.00 0.00 37.83 34.74 1b6f s LYS 97 CO 0.34 -1.53 -0.02 0.42 1.55 0.00 0.00 175.35 176.11 1b6f s ILE 98 N -3.05 0.32 -0.19 5.43 1.09 -1.26 0.14 121.20 123.68 1b6f s ILE 98 Ca 0.60 -0.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1b6f s ILE 98 Cb -0.15 -0.37 0.02 0.00 -1.06 0.00 0.00 42.46 40.90 1b6f s ILE 98 CO 0.55 0.16 -0.17 -0.44 -0.10 0.00 0.00 174.94 174.94 1b6f s SER 99 N 0.80 3.34 0.27 3.58 0.01 -0.16 0.04 113.70 121.59 1b6f s SER 99 Ca -0.09 -0.63 0.09 0.00 1.31 0.00 0.00 55.95 56.63 1b6f s SER 99 Cb -0.12 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1b6f s SER 99 CO -0.01 -0.01 0.03 0.20 0.41 0.00 0.00 173.24 173.87 1b6f s ASN 100 N 1.31 4.65 -0.16 2.44 0.01 -0.55 0.21 114.94 122.86 1b6f s ASN 100 Ca 0.05 -0.62 -0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1b6f s ASN 100 Cb -0.13 -0.89 0.05 0.00 0.41 0.00 0.00 41.25 40.69 1b6f s ASN 100 CO -0.11 -0.04 0.39 -1.61 -1.51 0.00 0.00 177.10 174.22 1b6f s GLU 101 N -3.71 0.39 -0.12 -0.60 2.02 0.26 -2.02 118.70 114.91 1b6f s GLU 101 Ca 0.32 0.71 0.02 0.00 0.02 0.00 0.00 54.97 56.04 1b6f s GLU 101 Cb -0.06 0.02 0.01 0.00 0.10 0.00 0.00 34.13 34.20 1b6f s GLU 101 CO 0.21 -0.14 -0.19 0.42 0.02 0.00 0.00 175.26 175.58 1b6f s ILE 102 N 1.14 1.83 -0.12 -1.63 1.01 0.39 0.11 121.20 123.93 1b6f s ILE 102 Ca -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1b6f s ILE 102 Cb -0.07 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.79 1b6f s ILE 102 CO -0.10 0.51 -0.07 -0.75 0.00 0.00 0.00 174.94 174.53 1b6f s LYS 103 N 0.84 1.48 -0.25 2.79 2.20 -0.59 -0.93 119.74 125.27 1b6f s LYS 103 Ca -0.08 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1b6f s LYS 103 Cb -0.15 -1.63 0.05 0.00 -1.51 0.00 0.00 37.83 34.58 1b6f s LYS 103 CO -0.01 -0.30 -0.10 0.42 -0.36 0.00 0.00 175.35 175.01 1b6f s ILE 104 N 1.71 2.39 -0.04 5.43 1.01 -0.89 0.22 121.20 131.02 1b6f s ILE 104 Ca 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1b6f s ILE 104 Cb -0.13 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1b6f s ILE 104 CO -0.08 0.09 -0.10 -0.69 0.00 0.00 0.00 174.94 174.16 1b6f s VAL 105 N 1.19 3.44 0.23 2.92 1.01 -0.18 -4.61 120.40 124.40 1b6f s VAL 105 Ca -0.05 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1b6f s VAL 105 Cb -0.18 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1b6f s VAL 105 CO -0.06 0.54 0.64 0.00 0.00 0.00 0.00 175.10 176.23 1b6f s ALA 106 N -0.83 3.47 0.68 5.51 0.00 -1.26 0.15 121.76 129.48 1b6f s ALA 106 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1b6f s ALA 106 Cb -0.11 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1b6f s ALA 106 CO 0.03 0.40 0.00 0.25 0.00 0.00 0.00 175.76 176.43 1b6f n THR 107 N 0.30 0.00 0.10 0.00 -2.24 0.16 -4.86 114.28 107.74 1b6f n THR 107 Ca -0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1b6f n THR 107 Cb 0.52 -1.68 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 1b6f n THR 107 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1b6f h PRO 108 N 0.00 0.00 0.00 -0.78 0.13 -1.99 -3.43 132.00 125.93 1b6f h PRO 108 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1b6f h PRO 108 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1b6f h PRO 108 CO 0.00 0.76 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1b6f n ASP 109 N -3.31 0.00 -0.53 1.44 5.75 -1.26 -5.00 116.55 113.64 1b6f n ASP 109 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.82 1b6f n ASP 109 Cb 0.83 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.96 1b6f n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b6f n GLY 110 N 0.00 1.71 0.00 6.12 0.00 -1.26 -5.12 105.19 106.64 1b6f n GLY 110 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1b6f n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6f n GLY 111 N -0.30 -0.13 3.18 -0.02 0.00 -1.26 -4.30 105.19 102.37 1b6f n GLY 111 Ca 0.05 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1b6f n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b6f s SER 112 N -4.00 0.90 -0.16 1.61 1.04 0.23 0.40 113.70 113.72 1b6f s SER 112 Ca 0.00 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.29 1b6f s SER 112 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1b6f s SER 112 CO 0.00 -0.58 -0.08 -0.51 0.98 0.00 0.00 173.24 173.05 1b6f s ILE 113 N -3.77 3.36 -0.12 -1.02 2.07 0.40 -1.03 121.20 121.08 1b6f s ILE 113 Ca 0.19 -0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 58.86 1b6f s ILE 113 Cb 0.06 -2.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.15 1b6f s ILE 113 CO -0.00 0.49 0.02 -1.48 -1.91 0.00 0.00 174.94 172.05 1b6f s LEU 114 N 0.71 3.62 -0.27 8.50 0.05 0.12 -1.01 118.68 130.40 1b6f s LEU 114 Ca -0.04 0.10 0.02 0.00 0.05 0.00 0.00 54.13 54.25 1b6f s LEU 114 Cb -0.15 -1.86 0.07 0.00 -2.05 0.00 0.00 46.19 42.20 1b6f s LEU 114 CO 0.02 0.29 -0.02 -0.54 -0.55 0.00 0.00 176.35 175.55 1b6f s LYS 115 N -0.36 1.55 -0.39 1.48 1.02 0.13 -0.48 119.74 122.69 1b6f s LYS 115 Ca 0.08 -1.24 -0.16 0.00 0.02 0.00 0.00 55.97 54.66 1b6f s LYS 115 Cb -0.12 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1b6f s LYS 115 CO 0.02 -0.72 0.39 0.42 -0.92 0.00 0.00 175.35 174.54 1b6f s ILE 116 N 1.28 5.14 -0.36 2.17 1.01 0.30 -1.54 121.20 129.19 1b6f s ILE 116 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1b6f s ILE 116 Cb -0.19 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 1b6f s ILE 116 CO -0.09 -0.28 0.35 -0.55 0.00 0.00 0.00 174.94 174.37 1b6f s SER 117 N 1.77 6.16 -0.12 3.58 0.15 0.31 0.11 113.70 125.65 1b6f s SER 117 Ca 0.11 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 1b6f s SER 117 Cb -0.17 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1b6f s SER 117 CO 0.12 -0.37 -0.01 0.20 1.20 0.00 0.00 173.24 174.39 1b6f s ASN 118 N 1.74 5.13 0.16 5.45 0.02 -1.22 0.92 114.94 127.14 1b6f s ASN 118 Ca 0.10 0.04 0.08 0.00 -1.02 0.00 0.00 52.86 52.06 1b6f s ASN 118 Cb -0.17 -1.63 -0.04 0.00 0.02 0.00 0.00 41.25 39.43 1b6f s ASN 118 CO 0.12 0.28 -0.17 -0.54 0.02 0.00 0.00 177.10 176.81 1b6f s LYS 119 N -0.31 1.22 -0.05 -0.60 1.02 0.57 -0.06 119.74 121.53 1b6f s LYS 119 Ca 0.06 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.67 1b6f s LYS 119 Cb -0.12 -1.21 0.02 0.00 -0.52 0.00 0.00 37.83 36.00 1b6f s LYS 119 CO 0.02 0.24 -0.08 0.71 -0.92 0.00 0.00 175.35 175.32 1b6f s TYR 120 N -2.20 1.04 -0.05 3.18 2.02 -0.69 -0.99 117.35 119.66 1b6f s TYR 120 Ca 0.15 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 1b6f s TYR 120 Cb -0.05 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1b6f s TYR 120 CO 0.06 -0.22 -0.12 -1.01 -1.57 0.00 0.00 175.55 172.69 1b6f s HIS 121 N 0.76 2.77 0.32 2.71 3.76 0.37 0.54 115.29 126.52 1b6f s HIS 121 Ca -0.13 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 1b6f s HIS 121 Cb -0.15 -1.65 -0.06 0.00 1.11 0.00 0.00 32.58 31.84 1b6f s HIS 121 CO 0.02 0.23 0.07 0.95 -0.85 0.00 0.00 174.74 175.16 1b6f s THR 122 N -0.76 0.99 0.32 1.30 -4.23 -1.20 -0.09 115.64 111.96 1b6f s THR 122 Ca 0.12 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 1b6f s THR 122 Cb -0.11 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.06 1b6f s THR 122 CO 0.01 0.00 0.63 1.17 -0.54 0.00 0.00 174.62 175.89 1b6f n LYS 123 N -0.65 0.91 -4.25 3.99 4.81 -1.26 -4.66 118.16 117.04 1b6f n LYS 123 Ca -0.02 -1.80 -0.36 0.00 -0.87 0.00 0.00 58.31 55.25 1b6f n LYS 123 Cb 0.66 2.24 -0.03 0.00 0.02 0.00 0.00 35.03 37.92 1b6f n LYS 123 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b6f n GLY 124 N -0.43 -0.42 2.71 3.14 0.00 -1.26 0.20 105.19 109.13 1b6f n GLY 124 Ca -0.07 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1b6f n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b6f n ASP 125 N -2.66 -5.49 -4.47 1.61 8.00 -1.26 -4.96 116.55 107.33 1b6f n ASP 125 Ca 0.05 0.27 -0.28 0.00 0.71 0.00 0.00 54.79 55.54 1b6f n ASP 125 Cb 0.50 -3.95 0.14 0.00 -0.02 0.00 0.00 41.12 37.80 1b6f n ASP 125 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1b6f s HIS 126 N -2.01 2.04 -0.27 1.24 3.76 0.55 -5.10 115.29 115.50 1b6f s HIS 126 Ca 0.00 0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 55.03 1b6f s HIS 126 Cb 0.00 -3.72 0.07 0.00 1.11 0.00 0.00 32.58 30.04 1b6f s HIS 126 CO 0.00 -2.18 0.71 -1.21 -0.85 0.00 0.00 174.74 171.21 1b6f s GLU 127 N -5.64 0.80 -0.48 1.40 2.02 -1.26 -4.33 118.70 111.21 1b6f s GLU 127 Ca 0.69 1.08 -0.24 0.00 0.02 0.00 0.00 54.97 56.51 1b6f s GLU 127 Cb -0.06 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.52 1b6f s GLU 127 CO 0.50 -0.12 0.86 0.54 0.02 0.00 0.00 175.26 177.06 1b6f s VAL 128 N 0.80 4.54 0.84 2.63 0.11 -1.26 -5.02 120.40 123.04 1b6f s VAL 128 Ca -0.03 0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 59.32 1b6f s VAL 128 Cb -0.05 -4.41 -0.02 0.00 -1.53 0.00 0.00 36.38 30.37 1b6f s VAL 128 CO -0.06 -0.86 0.35 2.29 -3.33 0.00 0.00 175.10 173.50 1b6f n LYS 129 N 7.02 0.01 0.00 1.54 2.85 -1.26 -4.84 118.16 123.48 1b6f n LYS 129 Ca 0.03 0.05 0.14 0.00 -1.05 0.00 0.00 58.31 57.48 1b6f n LYS 129 Cb 0.48 -1.76 0.69 0.00 -0.65 0.00 0.00 35.03 33.79 1b6f n LYS 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b6f n ALA 130 N -2.91 2.39 -0.33 0.58 0.00 -1.26 -4.22 120.51 114.76 1b6f n ALA 130 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1b6f n ALA 130 Cb 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1b6f n ALA 130 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1b6f n GLU 131 N -1.37 0.00 0.21 0.00 4.07 -1.26 0.18 120.64 122.47 1b6f n GLU 131 Ca 0.11 0.58 0.18 0.00 -0.06 0.00 0.00 57.16 57.96 1b6f n GLU 131 Cb 0.28 -1.34 0.77 0.00 -0.06 0.00 0.00 31.44 31.09 1b6f n GLU 131 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1b6f h GLN 132 N 0.00 0.00 0.00 5.31 4.15 -1.97 0.46 115.11 123.07 1b6f h GLN 132 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1b6f h GLN 132 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1b6f h GLN 132 CO 0.00 0.00 -0.18 0.28 -1.93 0.00 0.00 178.83 177.00 1b6f h VAL 133 N 0.00 1.58 0.00 2.39 2.07 -1.10 -2.08 116.25 119.11 1b6f h VAL 133 Ca 0.10 -1.96 -0.06 0.00 0.82 0.00 0.00 66.70 65.60 1b6f h VAL 133 Cb 0.90 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1b6f h VAL 133 CO -0.00 0.53 -0.28 0.11 0.02 0.00 0.00 177.57 177.94 1b6f h LYS 134 N -0.60 0.00 -0.11 1.57 1.57 0.38 -2.70 116.57 116.69 1b6f h LYS 134 Ca -0.02 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 1b6f h LYS 134 Cb 0.96 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1b6f h LYS 134 CO 0.04 0.28 -0.83 0.00 -0.57 0.00 0.00 179.45 178.37 1b6f h ALA 135 N 1.72 0.34 -0.58 3.86 0.00 -1.02 -2.79 119.26 120.78 1b6f h ALA 135 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1b6f h ALA 135 Cb 0.64 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1b6f h ALA 135 CO 0.04 0.71 0.36 1.03 0.00 0.00 0.00 179.25 181.38 1b6f h SER 136 N 0.45 0.69 -0.09 0.00 0.87 -1.05 -2.37 113.55 112.04 1b6f h SER 136 Ca -0.06 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1b6f h SER 136 Cb 1.45 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1b6f h SER 136 CO 0.16 0.53 -0.05 0.50 -0.53 0.00 0.00 176.83 177.44 1b6f h LYS 137 N 0.80 0.19 0.17 2.24 3.64 -1.44 1.03 116.57 123.20 1b6f h LYS 137 Ca 0.21 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1b6f h LYS 137 Cb -0.04 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1b6f h LYS 137 CO -0.04 0.55 -0.47 1.49 -2.27 0.00 0.00 179.45 178.71 1b6f h GLU 138 N -0.19 -0.72 -0.07 1.90 4.81 -1.19 -2.02 114.58 117.10 1b6f h GLU 138 Ca 0.02 0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1b6f h GLU 138 Cb 0.50 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1b6f h GLU 138 CO 0.01 -0.48 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.11 1b6f h LEU 139 N -0.74 0.30 -0.89 1.64 4.07 -1.49 -3.12 115.31 115.08 1b6f h LEU 139 Ca 0.00 -0.18 0.20 0.00 0.08 0.00 0.00 57.88 57.99 1b6f h LEU 139 Cb 0.74 -0.09 -0.12 0.00 1.08 0.00 0.00 40.66 42.28 1b6f h LEU 139 CO -0.24 0.85 0.41 1.23 -1.08 0.00 0.00 178.44 179.62 1b6f h GLY 140 N 1.48 1.51 0.89 0.83 0.00 0.17 0.58 103.07 108.53 1b6f h GLY 140 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1b6f h GLY 140 CO 0.10 -0.21 0.08 -2.09 0.00 0.00 0.00 176.54 174.42 1b6f h GLU 141 N 0.47 0.28 -0.01 4.80 4.57 -1.32 -1.97 114.58 121.40 1b6f h GLU 141 Ca 0.54 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1b6f h GLU 141 Cb 0.96 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1b6f h GLU 141 CO -0.48 0.34 0.01 1.15 -1.18 0.00 0.00 179.01 178.85 1b6f h THR 142 N 0.15 0.68 -0.00 0.32 2.02 -1.03 -1.94 112.91 113.11 1b6f h THR 142 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1b6f h THR 142 Cb 0.17 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1b6f h THR 142 CO -0.01 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.81 1b6f h LEU 143 N 0.00 0.00 -1.74 2.58 3.38 -0.34 -0.07 115.31 119.12 1b6f h LEU 143 Ca 0.00 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1b6f h LEU 143 Cb 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1b6f h LEU 143 CO -0.00 0.39 -0.11 0.17 0.09 0.00 0.00 178.44 178.97 1b6f h LEU 144 N -0.38 0.00 0.15 1.67 8.10 -1.13 -2.65 115.31 121.06 1b6f h LEU 144 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.70 1b6f h LEU 144 Cb 0.38 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.61 1b6f h LEU 144 CO 0.00 0.11 -1.34 -0.09 -4.11 0.00 0.00 178.44 173.01 1b6f h ARG 145 N 0.00 0.31 -0.39 0.17 1.12 -1.14 -2.62 114.38 111.83 1b6f h ARG 145 Ca -0.00 -0.53 -0.05 0.00 -1.11 0.00 0.00 59.98 58.30 1b6f h ARG 145 Cb 0.43 0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.58 1b6f h ARG 145 CO 0.01 1.23 0.06 0.00 -3.11 0.00 0.00 179.97 178.16 1b6f h ALA 146 N 0.50 0.52 -0.27 2.80 0.00 -0.67 0.54 119.26 122.67 1b6f h ALA 146 Ca -0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1b6f h ALA 146 Cb 2.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1b6f h ALA 146 CO 0.21 0.23 -0.03 0.28 0.00 0.00 0.00 179.25 179.94 1b6f h VAL 147 N 0.49 1.27 0.63 0.00 2.07 -1.58 -0.08 116.25 119.05 1b6f h VAL 147 Ca 0.12 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1b6f h VAL 147 Cb 0.38 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1b6f h VAL 147 CO 0.01 0.32 -0.30 -0.08 0.02 0.00 0.00 177.57 177.54 1b6f h GLU 148 N 0.27 -0.81 0.00 1.57 4.81 -1.35 -1.02 114.58 118.05 1b6f h GLU 148 Ca 0.07 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1b6f h GLU 148 Cb 0.48 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1b6f h GLU 148 CO 0.02 -0.53 0.00 0.45 -0.73 0.00 0.00 179.01 178.22 1b6f n SER 149 N -5.45 0.56 0.10 1.04 2.88 0.17 -1.10 113.62 111.83 1b6f n SER 149 Ca -0.13 0.72 0.01 0.00 -1.33 0.00 0.00 58.87 58.14 1b6f n SER 149 Cb 0.35 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 62.98 1b6f n SER 149 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1b6f h TYR 150 N 0.00 0.00 0.00 0.66 3.20 0.25 -3.04 116.97 118.04 1b6f h TYR 150 Ca 0.00 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 1b6f h TYR 150 Cb 0.10 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1b6f h TYR 150 CO 0.00 0.55 -1.25 -0.07 -1.64 0.00 0.00 178.16 175.75 1b6f h LEU 151 N 0.00 0.00 0.00 2.82 3.38 -0.16 -3.34 115.31 118.01 1b6f h LEU 151 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1b6f h LEU 151 Cb 1.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1b6f h LEU 151 CO 0.06 0.51 -0.55 0.25 0.09 0.00 0.00 178.44 178.80 1b6f h LEU 152 N 0.00 0.00 -2.27 1.67 6.46 -1.53 -3.28 115.31 116.36 1b6f h LEU 152 Ca -0.13 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1b6f h LEU 152 Cb 1.50 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.43 1b6f h LEU 152 CO 0.04 0.26 -0.03 0.00 -0.62 0.00 0.00 178.44 178.10 1b6f h ALA 153 N 1.74 1.55 -0.43 1.25 0.00 -1.65 -1.40 119.26 120.32 1b6f h ALA 153 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1b6f h ALA 153 Cb 1.22 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1b6f h ALA 153 CO 0.03 0.04 0.05 1.58 0.00 0.00 0.00 179.25 180.95 1b6f n HIS 154 N -3.92 1.47 1.67 0.00 -0.00 -1.23 -4.44 115.22 108.77 1b6f n HIS 154 Ca -0.03 -1.01 0.15 0.00 0.46 0.00 0.00 57.72 57.29 1b6f n HIS 154 Cb 0.12 -0.45 0.69 0.00 -0.12 0.00 0.00 29.99 30.23 1b6f n HIS 154 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1b6f n SER 155 N -0.32 0.77 -0.67 0.26 2.88 -0.53 -3.43 113.62 112.57 1b6f n SER 155 Ca 0.28 -1.16 0.12 0.00 -1.33 0.00 0.00 58.87 56.78 1b6f n SER 155 Cb 1.07 -0.01 0.36 0.00 -0.75 0.00 0.00 64.21 64.88 1b6f n SER 155 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1b6f n ASP 156 N -0.46 2.04 -4.66 -3.46 -0.08 -1.26 -4.93 116.55 103.73 1b6f n ASP 156 Ca 0.20 -1.73 -0.29 0.00 -1.51 0.00 0.00 54.79 51.46 1b6f n ASP 156 Cb 0.25 -0.09 0.17 0.00 2.34 0.00 0.00 41.12 43.80 1b6f n ASP 156 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b6f s ALA 157 N -1.83 0.97 0.24 -1.67 0.00 -1.22 -4.89 121.76 113.36 1b6f s ALA 157 Ca 0.34 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 1b6f s ALA 157 Cb 0.19 -3.18 0.36 0.00 0.00 0.00 0.00 23.12 20.50 1b6f s ALA 157 CO 0.29 -2.82 1.61 1.88 0.00 0.00 0.00 175.76 176.73 1b6f h TYR 158 N -1.88 -0.26 -0.01 0.00 -1.99 -1.93 -3.53 116.97 107.35 1b6f h TYR 158 Ca -0.53 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1b6f h TYR 158 Cb 1.31 0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.28 1b6f h TYR 158 CO 0.34 -0.30 0.00 -1.71 -0.00 0.00 0.00 178.16 176.50