#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf6 h ALA 4 N 0.00 0.65 -0.35 2.24 0.00 -2.04 -1.60 119.26 118.17 1xf6 h ALA 4 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1xf6 h ALA 4 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xf6 h ALA 4 CO 0.00 0.14 -0.22 0.74 0.00 0.00 0.00 179.25 179.91 1xf6 h PHE 5 N 0.69 0.75 -0.80 0.00 0.05 -2.00 -2.78 116.94 112.85 1xf6 h PHE 5 Ca 0.18 -0.16 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1xf6 h PHE 5 Cb -0.00 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 37.73 1xf6 h PHE 5 CO -0.03 0.83 0.35 0.77 -0.18 0.00 0.00 178.31 180.05 1xf6 h SER 6 N 0.59 1.09 -0.48 2.17 0.02 -1.82 -1.08 113.55 114.04 1xf6 h SER 6 Ca 0.09 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1xf6 h SER 6 Cb 0.69 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1xf6 h SER 6 CO 0.05 0.94 0.22 0.03 -1.14 0.00 0.00 176.83 176.93 1xf6 h ARG 7 N 1.16 0.41 0.07 3.45 3.08 -1.22 -2.94 114.38 118.39 1xf6 h ARG 7 Ca 0.27 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1xf6 h ARG 7 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1xf6 h ARG 7 CO -0.03 0.27 -0.03 0.28 -1.07 0.00 0.00 179.97 179.39 1xf6 h VAL 8 N 0.43 1.03 -0.04 2.04 2.07 -1.17 1.00 116.25 121.60 1xf6 h VAL 8 Ca 0.22 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xf6 h VAL 8 Cb 0.16 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1xf6 h VAL 8 CO -0.18 0.08 0.00 1.33 0.02 0.00 0.00 177.57 178.83 1xf6 n VAL 9 N -5.06 0.28 0.00 2.57 0.24 -0.45 -4.69 118.33 111.22 1xf6 n VAL 9 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1xf6 n VAL 9 Cb 0.13 -0.53 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1xf6 n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xf6 n ALA 12 N 0.07 0.00 -2.67 2.33 0.00 -0.29 -5.10 120.51 114.85 1xf6 n ALA 12 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1xf6 n ALA 12 Cb 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.63 1xf6 n ALA 12 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xf6 s ASP 13 N 0.06 2.48 -0.07 0.00 -1.08 0.19 -5.06 116.67 113.19 1xf6 s ASP 13 Ca 0.00 -0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 51.62 1xf6 s ASP 13 Cb 0.00 -0.53 -0.26 0.00 -1.46 0.00 0.00 42.92 40.68 1xf6 s ASP 13 CO 0.00 0.22 0.55 -1.28 0.52 0.00 0.00 175.17 175.17 1xf6 h SER 14 N 5.96 0.31 -4.11 -0.34 0.87 -1.90 -3.36 113.55 110.98 1xf6 h SER 14 Ca -0.35 -0.63 -0.49 0.00 -1.23 0.00 0.00 61.79 59.10 1xf6 h SER 14 Cb 1.16 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1xf6 h SER 14 CO 0.48 1.56 0.33 -1.59 -0.53 0.00 0.00 176.83 177.07 1xf6 s LYS 15 N -2.58 3.82 0.72 2.24 -2.85 -1.26 -5.02 119.74 114.81 1xf6 s LYS 15 Ca -0.15 0.78 -0.15 0.00 -1.00 0.00 0.00 55.97 55.45 1xf6 s LYS 15 Cb 0.07 -2.18 0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1xf6 s LYS 15 CO 0.80 -0.29 1.18 0.00 0.10 0.00 0.00 175.35 177.14 1xf6 s ALA 16 N -2.71 2.17 -0.18 0.59 0.00 -1.26 -4.80 121.76 115.57 1xf6 s ALA 16 Ca 0.56 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1xf6 s ALA 16 Cb -0.10 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1xf6 s ALA 16 CO 0.37 -1.78 0.25 0.00 0.00 0.00 0.00 175.76 174.60 1xf6 s ALA 17 N -2.10 3.62 -0.38 0.00 0.00 -1.26 -5.06 121.76 116.58 1xf6 s ALA 17 Ca 0.72 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 1xf6 s ALA 17 Cb -0.27 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 20.61 1xf6 s ALA 17 CO 0.45 0.07 0.13 0.71 0.00 0.00 0.00 175.76 177.12 1xf6 s TYR 18 N 0.53 3.64 -0.48 0.00 1.51 -1.26 -5.07 117.35 116.22 1xf6 s TYR 18 Ca 0.14 -2.61 -0.05 0.00 -1.01 0.00 0.00 57.07 53.53 1xf6 s TYR 18 Cb -0.13 -3.05 0.13 0.00 -0.11 0.00 0.00 41.96 38.80 1xf6 s TYR 18 CO 0.02 -0.96 0.31 0.08 -1.11 0.00 0.00 175.55 173.90 1xf6 s VAL 19 N 1.05 3.75 0.25 0.71 1.01 -1.26 -5.04 120.40 120.87 1xf6 s VAL 19 Ca 0.08 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 59.92 1xf6 s VAL 19 Cb -0.21 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xf6 s VAL 19 CO -0.06 -0.77 0.10 -0.83 0.00 0.00 0.00 175.10 173.55 1xf6 s GLY 20 N 1.90 1.70 0.00 4.51 0.00 -1.26 -4.43 107.32 109.74 1xf6 s GLY 20 Ca 0.09 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1xf6 s GLY 20 CO -0.03 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1xf6 n GLY 21 N -0.44 2.89 0.30 0.20 0.00 -1.26 -2.04 105.19 104.84 1xf6 n GLY 21 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1xf6 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 h ALA 22 N -0.89 1.78 -0.28 4.61 0.00 -1.99 -1.03 119.26 121.47 1xf6 h ALA 22 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xf6 h ALA 22 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xf6 h ALA 22 CO 0.00 0.20 -0.13 -0.44 0.00 0.00 0.00 179.25 178.88 1xf6 h ASP 23 N 0.42 0.45 -0.35 0.00 3.32 -1.79 -0.87 116.42 117.60 1xf6 h ASP 23 Ca 0.11 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1xf6 h ASP 23 Cb -0.05 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1xf6 h ASP 23 CO -0.02 0.62 -0.39 0.25 -1.72 0.00 0.00 179.24 177.98 1xf6 h LEU 24 N 0.44 0.95 -0.57 1.55 5.85 -1.11 -0.93 115.31 121.49 1xf6 h LEU 24 Ca 0.08 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1xf6 h LEU 24 Cb 0.49 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1xf6 h LEU 24 CO 0.03 1.23 0.27 -0.61 -0.34 0.00 0.00 178.44 179.02 1xf6 h GLN 25 N 0.68 0.48 -0.43 1.25 4.15 -1.00 -1.78 115.11 118.47 1xf6 h GLN 25 Ca 0.05 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1xf6 h GLN 25 Cb 0.98 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1xf6 h GLN 25 CO 0.09 0.32 -0.00 0.00 -1.93 0.00 0.00 178.83 177.31 1xf6 h ALA 26 N 1.33 0.58 -0.61 3.38 0.00 -1.04 -2.97 119.26 119.94 1xf6 h ALA 26 Ca 0.26 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1xf6 h ALA 26 Cb 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 1xf6 h ALA 26 CO -0.21 0.37 0.22 1.25 0.00 0.00 0.00 179.25 180.88 1xf6 h LEU 27 N 0.60 0.22 -0.52 0.00 5.85 -0.64 -1.07 115.31 119.75 1xf6 h LEU 27 Ca 0.12 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xf6 h LEU 27 Cb 0.49 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1xf6 h LEU 27 CO 0.02 0.13 0.00 0.29 -0.34 0.00 0.00 178.44 178.54 1xf6 n LYS 28 N -5.00 0.14 0.08 1.25 5.02 -0.72 -1.53 118.16 117.41 1xf6 n LYS 28 Ca 0.09 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.88 1xf6 n LYS 28 Cb 0.27 -1.77 0.44 0.00 -0.02 0.00 0.00 35.03 33.95 1xf6 n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xf6 n LYS 29 N -2.05 0.20 -0.01 1.97 5.02 -0.41 -4.03 118.16 118.86 1xf6 n LYS 29 Ca 0.02 0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 1xf6 n LYS 29 Cb 0.21 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1xf6 n LYS 29 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xf6 n PHE 30 N -2.08 0.02 -4.90 2.13 3.72 -0.58 -4.95 117.46 110.83 1xf6 n PHE 30 Ca 0.06 -0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 1xf6 n PHE 30 Cb 0.41 -0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.81 1xf6 n PHE 30 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1xf6 s ILE 31 N -0.52 2.58 0.42 4.37 -4.36 -1.11 -5.05 121.20 117.54 1xf6 s ILE 31 Ca 0.07 -1.10 -0.24 0.00 -0.26 0.00 0.00 60.65 59.12 1xf6 s ILE 31 Cb 0.05 -2.02 -0.08 0.00 1.25 0.00 0.00 42.46 41.66 1xf6 s ILE 31 CO 0.07 0.45 1.16 -0.94 0.24 0.00 0.00 174.94 175.93 1xf6 s SER 32 N -1.06 6.39 -1.33 4.36 1.04 -1.26 -3.75 113.70 118.09 1xf6 s SER 32 Ca 0.12 2.31 -0.05 0.00 0.48 0.00 0.00 55.95 58.81 1xf6 s SER 32 Cb -0.10 -2.61 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 1xf6 s SER 32 CO 0.02 -0.76 0.56 -0.62 0.98 0.00 0.00 173.24 173.41 1xf6 n GLU 33 N -0.17 -3.18 -0.11 4.02 1.02 -1.26 -4.65 120.64 116.31 1xf6 n GLU 33 Ca 0.06 0.46 -0.05 0.00 -0.02 0.00 0.00 57.16 57.60 1xf6 n GLU 33 Cb 0.47 -4.57 0.01 0.00 -0.02 0.00 0.00 31.44 27.33 1xf6 n GLU 33 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1xf6 h GLY 34 N -1.86 0.27 0.91 0.62 0.00 -1.76 0.20 103.07 101.46 1xf6 h GLY 34 Ca -0.63 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1xf6 h GLY 34 CO 0.58 -0.13 0.05 3.43 0.00 0.00 0.00 176.54 180.47 1xf6 h ASN 35 N 0.01 0.13 -0.93 0.19 2.35 -1.91 -1.39 115.58 114.03 1xf6 h ASN 35 Ca 0.18 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1xf6 h ASN 35 Cb 0.27 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1xf6 h ASN 35 CO -0.37 0.20 0.62 0.11 -1.65 0.00 0.00 177.43 176.34 1xf6 h LYS 36 N 0.05 1.20 -0.58 0.81 1.57 -1.81 -1.72 116.57 116.09 1xf6 h LYS 36 Ca 0.03 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1xf6 h LYS 36 Cb 0.10 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1xf6 h LYS 36 CO -0.00 0.79 0.24 -0.09 -0.57 0.00 0.00 179.45 179.82 1xf6 h ARG 37 N 1.23 0.86 -0.36 3.15 2.43 -0.33 0.27 114.38 121.64 1xf6 h ARG 37 Ca 0.35 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1xf6 h ARG 37 Cb -0.09 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1xf6 h ARG 37 CO -0.09 0.73 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.73 1xf6 h LEU 38 N 0.80 0.80 -0.71 3.80 3.38 -0.93 -0.17 115.31 122.26 1xf6 h LEU 38 Ca 0.19 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1xf6 h LEU 38 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1xf6 h LEU 38 CO -0.02 1.04 0.46 0.44 0.09 0.00 0.00 178.44 180.45 1xf6 h ASP 39 N 0.65 0.77 0.03 -0.43 3.32 -1.03 -1.17 116.42 118.56 1xf6 h ASP 39 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xf6 h ASP 39 Cb 0.83 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1xf6 h ASP 39 CO 0.07 0.54 -0.02 0.28 -1.72 0.00 0.00 179.24 178.39 1xf6 h SER 40 N 0.91 -0.06 -0.38 6.45 0.02 -0.42 -1.27 113.55 118.80 1xf6 h SER 40 Ca 0.28 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1xf6 h SER 40 Cb -0.03 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1xf6 h SER 40 CO -0.09 -0.04 0.22 0.58 -1.14 0.00 0.00 176.83 176.36 1xf6 h VAL 41 N -0.06 1.03 -0.47 2.27 2.07 -0.90 -2.67 116.25 117.52 1xf6 h VAL 41 Ca -0.00 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1xf6 h VAL 41 Cb 0.05 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1xf6 h VAL 41 CO -0.00 0.08 0.11 -1.13 0.02 0.00 0.00 177.57 176.65 1xf6 h ASN 42 N 0.45 0.65 0.16 0.57 -1.24 -1.02 -0.03 115.58 115.11 1xf6 h ASN 42 Ca 0.15 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1xf6 h ASN 42 Cb 0.01 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.89 1xf6 h ASN 42 CO -0.08 0.65 -0.11 0.77 -1.29 0.00 0.00 177.43 177.37 1xf6 h SER 43 N 0.69 0.00 0.00 1.15 4.64 -0.89 -0.76 113.55 118.38 1xf6 h SER 43 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1xf6 h SER 43 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xf6 h SER 43 CO -0.00 0.11 -0.31 0.40 -0.87 0.00 0.00 176.83 176.16 1xf6 h ILE 44 N 0.00 0.32 -0.61 0.95 2.04 -1.25 -3.36 117.51 115.60 1xf6 h ILE 44 Ca -0.00 -1.29 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1xf6 h ILE 44 Cb 0.22 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1xf6 h ILE 44 CO 0.01 0.11 0.37 0.58 0.00 0.00 0.00 178.15 179.23 1xf6 h VAL 45 N -1.00 1.07 0.00 1.67 2.07 -0.95 -1.62 116.25 117.50 1xf6 h VAL 45 Ca -0.04 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1xf6 h VAL 45 Cb 0.44 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xf6 h VAL 45 CO -0.02 0.13 -0.01 0.77 0.02 0.00 0.00 177.57 178.46 1xf6 h SER 46 N 0.74 0.00 -0.47 0.57 4.64 -1.36 -2.35 113.55 115.31 1xf6 h SER 46 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1xf6 h SER 46 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xf6 h SER 46 CO -0.10 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.46 1xf6 n ASN 47 N -3.11 4.14 -0.37 4.97 3.02 -0.68 -4.76 115.26 118.47 1xf6 n ASN 47 Ca -0.00 -2.50 -0.00 0.00 -0.03 0.00 0.00 54.58 52.04 1xf6 n ASN 47 Cb 0.26 -0.49 0.14 0.00 -0.61 0.00 0.00 39.78 39.07 1xf6 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xf6 h ALA 48 N 3.00 1.33 -0.65 5.41 0.00 -0.79 -2.16 119.26 125.39 1xf6 h ALA 48 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xf6 h ALA 48 Cb 1.30 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1xf6 h ALA 48 CO 0.18 0.59 0.17 0.77 0.00 0.00 0.00 179.25 180.96 1xf6 h SER 49 N 1.30 0.98 -0.19 0.00 0.02 -1.85 -0.94 113.55 112.86 1xf6 h SER 49 Ca 0.39 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 1xf6 h SER 49 Cb -0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1xf6 h SER 49 CO -0.11 0.95 -0.30 0.00 -1.14 0.00 0.00 176.83 176.23 1xf6 h ILE 51 N 0.58 0.95 -0.20 0.00 2.04 -1.02 0.47 117.51 120.34 1xf6 h ILE 51 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1xf6 h ILE 51 Cb 0.80 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1xf6 h ILE 51 CO 0.07 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.86 1xf6 h VAL 52 N -0.06 1.18 -0.25 1.67 2.07 -1.14 -1.62 116.25 118.11 1xf6 h VAL 52 Ca -0.00 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1xf6 h VAL 52 Cb 0.05 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1xf6 h VAL 52 CO 0.00 0.18 0.10 -1.28 0.02 0.00 0.00 177.57 176.59 1xf6 h SER 53 N 0.15 0.12 -0.52 0.57 0.87 -1.15 -1.17 113.55 112.42 1xf6 h SER 53 Ca 0.06 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1xf6 h SER 53 Cb 0.22 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1xf6 h SER 53 CO -0.00 0.10 0.12 -0.78 -0.53 0.00 0.00 176.83 175.74 1xf6 h ASP 54 N 0.22 0.83 -0.21 6.23 3.58 -0.83 0.13 116.42 126.37 1xf6 h ASP 54 Ca 0.11 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 1xf6 h ASP 54 Cb 0.06 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1xf6 h ASP 54 CO -0.10 0.83 -0.10 0.00 -2.88 0.00 0.00 179.24 176.99 1xf6 h ALA 55 N 1.28 0.29 -0.35 -0.78 0.00 -1.03 0.02 119.26 118.69 1xf6 h ALA 55 Ca 0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1xf6 h ALA 55 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xf6 h ALA 55 CO 0.00 0.13 -0.22 0.28 0.00 0.00 0.00 179.25 179.44 1xf6 h VAL 56 N 0.13 1.29 -0.91 0.00 2.07 -1.11 -0.63 116.25 117.10 1xf6 h VAL 56 Ca 0.05 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1xf6 h VAL 56 Cb 0.59 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1xf6 h VAL 56 CO 0.03 0.44 0.60 -1.28 0.02 0.00 0.00 177.57 177.38 1xf6 h SER 57 N 0.54 1.03 -0.12 0.57 0.87 -0.73 -1.40 113.55 114.31 1xf6 h SER 57 Ca 0.07 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.40 1xf6 h SER 57 Cb 0.77 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1xf6 h SER 57 CO 0.06 0.74 -0.73 1.23 -0.53 0.00 0.00 176.83 177.60 1xf6 h GLY 58 N 1.21 0.84 0.33 5.77 0.00 -0.88 0.16 103.07 110.51 1xf6 h GLY 58 Ca 0.34 -1.14 0.09 0.00 0.00 0.00 0.00 47.33 46.61 1xf6 h GLY 58 CO -0.08 1.02 0.11 1.98 0.00 0.00 0.00 176.54 179.57 1xf6 h MET 59 N 0.53 0.24 -0.20 4.80 1.85 -0.92 -1.66 114.93 119.58 1xf6 h MET 59 Ca -0.04 -0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 58.90 1xf6 h MET 59 Cb 1.35 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.33 1xf6 h MET 59 CO 0.15 0.16 -0.43 0.82 -0.40 0.00 0.00 176.91 177.21 1xf6 h ILE 60 N 0.25 1.32 0.00 1.77 2.04 -1.11 -2.50 117.51 119.28 1xf6 h ILE 60 Ca 0.26 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 1xf6 h ILE 60 Cb 0.35 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1xf6 h ILE 60 CO -0.34 0.52 -0.25 0.00 0.00 0.00 0.00 178.15 178.09 1xf6 h GLU 62 N 0.00 0.00 -1.78 0.00 5.08 -1.29 -3.40 114.58 113.19 1xf6 h GLU 62 Ca -0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1xf6 h GLU 62 Cb 0.51 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.47 1xf6 h GLU 62 CO 0.03 0.13 -0.75 1.21 -1.00 0.00 0.00 179.01 178.63 1xf6 s ASN 63 N -6.11 0.26 0.56 1.42 2.47 -0.29 -5.01 114.94 108.24 1xf6 s ASN 63 Ca 0.04 -2.35 0.36 0.00 0.42 0.00 0.00 52.86 51.33 1xf6 s ASN 63 Cb 0.08 0.60 1.76 0.00 -1.45 0.00 0.00 41.25 42.24 1xf6 s ASN 63 CO 0.64 -0.14 2.10 -0.65 -3.72 0.00 0.00 177.10 175.33 1xf6 h PRO 64 N 5.58 0.00 -0.18 0.43 0.11 -1.49 -1.96 132.00 134.49 1xf6 h PRO 64 Ca 0.16 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1xf6 h PRO 64 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xf6 h PRO 64 CO 0.21 0.00 0.28 0.66 -0.21 0.00 0.00 178.00 178.94 1xf6 h SER 65 N 0.00 0.00 -0.18 -2.05 4.64 -1.95 -1.58 113.55 112.43 1xf6 h SER 65 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1xf6 h SER 65 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1xf6 h SER 65 CO 0.00 0.00 0.17 -0.07 -0.87 0.00 0.00 176.83 176.06 1xf6 h LEU 66 N 0.00 0.00 -2.92 5.97 3.38 -1.69 -1.82 115.31 118.23 1xf6 h LEU 66 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xf6 h LEU 66 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xf6 h LEU 66 CO -0.00 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.83 1xf6 n ILE 67 N -4.01 1.11 -1.52 1.22 -5.35 -0.60 -1.24 119.36 108.98 1xf6 n ILE 67 Ca 0.01 -1.07 -0.29 0.00 -0.27 0.00 0.00 62.75 61.13 1xf6 n ILE 67 Cb 0.30 0.44 0.12 0.00 -1.74 0.00 0.00 39.64 38.76 1xf6 n ILE 67 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xf6 s SER 68 N -1.08 3.79 0.62 7.28 1.04 -0.69 -4.77 113.70 119.89 1xf6 s SER 68 Ca 0.25 1.09 0.37 0.00 0.48 0.00 0.00 55.95 58.14 1xf6 s SER 68 Cb 0.14 -1.71 2.07 0.00 0.10 0.00 0.00 66.02 66.62 1xf6 s SER 68 CO 0.15 -2.39 2.28 -0.65 0.98 0.00 0.00 173.24 173.62 1xf6 h PRO 69 N -1.38 0.00 -0.01 4.02 0.11 -1.93 -0.25 132.00 132.55 1xf6 h PRO 69 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xf6 h PRO 69 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xf6 h PRO 69 CO 0.61 0.01 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.08 1xf6 n SER 70 N -3.39 1.46 0.00 -2.05 3.41 -1.26 -4.92 113.62 106.87 1xf6 n SER 70 Ca -0.03 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 1xf6 n SER 70 Cb 0.11 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1xf6 n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf6 n GLY 71 N 1.31 0.88 0.00 5.00 0.00 -0.10 -5.01 105.19 107.26 1xf6 n GLY 71 Ca 0.14 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1xf6 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf6 s TYR 74 N 0.00 3.09 0.00 0.00 5.04 -1.19 -3.42 117.35 120.87 1xf6 s TYR 74 Ca 0.00 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 1xf6 s TYR 74 Cb 0.00 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1xf6 s TYR 74 CO 0.00 -1.58 0.00 0.25 -1.34 0.00 0.00 175.55 172.88 1xf6 n THR 75 N 0.57 -0.19 -0.08 4.34 -2.24 -1.26 -4.19 114.28 111.23 1xf6 n THR 75 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1xf6 n THR 75 Cb 0.44 0.00 0.35 0.00 -2.10 0.00 0.00 70.33 69.01 1xf6 n THR 75 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xf6 h ASN 76 N 0.00 0.62 -0.10 3.42 2.35 -1.99 -1.54 115.58 118.33 1xf6 h ASN 76 Ca 0.00 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1xf6 h ASN 76 Cb 0.00 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1xf6 h ASN 76 CO 0.00 0.47 0.03 -0.09 -1.65 0.00 0.00 177.43 176.18 1xf6 h ARG 77 N 0.72 0.07 -0.29 0.81 2.43 -1.93 -0.43 114.38 115.77 1xf6 h ARG 77 Ca 0.19 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 1xf6 h ARG 77 Cb -0.05 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1xf6 h ARG 77 CO -0.04 0.05 -0.41 0.00 -1.51 0.00 0.00 179.97 178.06 1xf6 h ARG 78 N 0.08 0.78 -0.69 0.20 3.08 -1.63 -2.43 114.38 113.77 1xf6 h ARG 78 Ca 0.04 -0.46 0.06 0.00 0.07 0.00 0.00 59.98 59.69 1xf6 h ARG 78 Cb 0.03 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1xf6 h ARG 78 CO -0.05 1.09 0.39 1.98 -1.07 0.00 0.00 179.97 182.31 1xf6 h MET 79 N 0.54 0.71 -0.49 0.04 4.05 -1.23 -0.84 114.93 117.71 1xf6 h MET 79 Ca 0.03 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1xf6 h MET 79 Cb 1.00 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.61 1xf6 h MET 79 CO 0.10 0.47 0.28 0.00 0.23 0.00 0.00 176.91 177.98 1xf6 h ALA 80 N 1.35 0.62 -0.71 0.39 0.00 -1.01 -0.48 119.26 119.43 1xf6 h ALA 80 Ca 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1xf6 h ALA 80 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xf6 h ALA 80 CO -0.17 -0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.36 1xf6 h ALA 81 N 1.23 1.22 -0.14 0.00 0.00 -0.90 -0.04 119.26 120.63 1xf6 h ALA 81 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xf6 h ALA 81 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xf6 h ALA 81 CO -0.11 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.61 1xf6 h LEU 83 N -0.04 0.49 -0.02 0.00 3.38 -0.99 -0.35 115.31 117.77 1xf6 h LEU 83 Ca 0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xf6 h LEU 83 Cb 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1xf6 h LEU 83 CO 0.03 0.31 -0.04 -0.09 0.09 0.00 0.00 178.44 178.75 1xf6 h ARG 84 N 0.63 -0.05 -0.87 1.13 2.43 -0.90 -2.41 114.38 114.34 1xf6 h ARG 84 Ca 0.30 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1xf6 h ARG 84 Cb 0.22 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1xf6 h ARG 84 CO -0.20 -0.04 0.49 -0.44 -1.51 0.00 0.00 179.97 178.27 1xf6 h ASP 85 N -0.06 1.07 -0.69 -3.80 5.19 -0.36 0.10 116.42 117.87 1xf6 h ASP 85 Ca 0.03 -0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.40 1xf6 h ASP 85 Cb 0.09 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.28 1xf6 h ASP 85 CO -0.06 0.85 0.40 1.23 -3.12 0.00 0.00 179.24 178.54 1xf6 h GLY 86 N 1.22 1.01 0.96 2.75 0.00 -0.90 -0.49 103.07 107.62 1xf6 h GLY 86 Ca 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1xf6 h GLY 86 CO -0.05 0.20 0.17 -2.09 0.00 0.00 0.00 176.54 174.77 1xf6 h GLU 87 N 0.76 0.73 -0.15 4.80 4.81 -0.87 -1.22 114.58 123.44 1xf6 h GLU 87 Ca 0.30 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1xf6 h GLU 87 Cb 0.13 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1xf6 h GLU 87 CO -0.16 0.68 -0.03 0.82 -0.73 0.00 0.00 179.01 179.59 1xf6 h ILE 88 N 0.64 0.85 -0.35 2.32 2.04 -0.45 0.23 117.51 122.79 1xf6 h ILE 88 Ca 0.16 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1xf6 h ILE 88 Cb 0.24 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1xf6 h ILE 88 CO -0.01 0.00 0.22 0.40 0.00 0.00 0.00 178.15 178.77 1xf6 h ILE 89 N 0.01 1.11 -0.87 -0.67 2.04 -1.00 -1.28 117.51 116.85 1xf6 h ILE 89 Ca 0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1xf6 h ILE 89 Cb 0.11 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1xf6 h ILE 89 CO -0.15 0.11 0.51 0.25 0.00 0.00 0.00 178.15 178.86 1xf6 h LEU 90 N 0.47 1.06 -0.31 1.44 5.85 -0.99 -0.73 115.31 122.10 1xf6 h LEU 90 Ca 0.13 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xf6 h LEU 90 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1xf6 h LEU 90 CO -0.03 0.83 0.20 0.03 -0.34 0.00 0.00 178.44 179.13 1xf6 h ARG 91 N 1.21 0.41 -0.61 1.25 3.08 -0.47 0.37 114.38 119.62 1xf6 h ARG 91 Ca 0.31 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.25 1xf6 h ARG 91 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1xf6 h ARG 91 CO -0.06 0.29 0.06 1.88 -1.07 0.00 0.00 179.97 181.08 1xf6 h TYR 92 N 0.41 1.10 -0.59 3.04 0.05 -0.84 -0.58 116.97 119.55 1xf6 h TYR 92 Ca 0.11 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1xf6 h TYR 92 Cb -0.02 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 1xf6 h TYR 92 CO -0.05 0.95 0.23 0.28 -1.05 0.00 0.00 178.16 178.52 1xf6 h VAL 93 N 0.96 1.23 -0.90 -2.88 2.07 -0.95 -0.92 116.25 114.85 1xf6 h VAL 93 Ca 0.18 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1xf6 h VAL 93 Cb 0.47 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1xf6 h VAL 93 CO 0.02 0.28 0.50 0.28 0.02 0.00 0.00 177.57 178.67 1xf6 h SER 94 N 0.82 1.12 0.15 0.57 0.02 -0.66 -1.66 113.55 113.91 1xf6 h SER 94 Ca 0.20 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1xf6 h SER 94 Cb 0.21 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1xf6 h SER 94 CO -0.02 0.90 -0.43 0.22 -1.14 0.00 0.00 176.83 176.36 1xf6 h TYR 95 N 1.26 0.43 -0.69 3.45 3.20 -0.84 -0.50 116.97 123.27 1xf6 h TYR 95 Ca 0.32 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 62.09 1xf6 h TYR 95 Cb 0.02 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1xf6 h TYR 95 CO 0.01 0.73 0.43 0.00 -1.64 0.00 0.00 178.16 177.70 1xf6 h ALA 96 N 1.25 0.91 -0.54 1.82 0.00 -0.65 -0.48 119.26 121.57 1xf6 h ALA 96 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xf6 h ALA 96 Cb 0.88 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1xf6 h ALA 96 CO 0.07 0.21 -0.12 1.25 0.00 0.00 0.00 179.25 180.66 1xf6 h LEU 97 N 0.85 1.04 -0.52 0.00 5.85 -0.94 0.12 115.31 121.71 1xf6 h LEU 97 Ca 0.28 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1xf6 h LEU 97 Cb 0.02 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1xf6 h LEU 97 CO -0.11 1.15 0.28 0.25 -0.34 0.00 0.00 178.44 179.68 1xf6 h LEU 98 N 0.91 0.66 -0.27 2.25 5.85 -0.81 -3.10 115.31 120.81 1xf6 h LEU 98 Ca 0.14 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1xf6 h LEU 98 Cb 0.69 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1xf6 h LEU 98 CO 0.05 0.57 -0.41 0.28 -0.34 0.00 0.00 178.44 178.59 1xf6 h SER 99 N 0.70 0.00 -1.81 1.25 0.02 -0.95 -3.48 113.55 109.28 1xf6 h SER 99 Ca 0.18 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.88 1xf6 h SER 99 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1xf6 h SER 99 CO -0.03 0.41 -0.33 0.61 -1.14 0.00 0.00 176.83 176.36 1xf6 n GLY 100 N 0.95 -0.13 3.43 -3.77 0.00 0.38 -4.94 105.19 101.12 1xf6 n GLY 100 Ca 0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 1xf6 n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xf6 s ASP 101 N -2.43 -0.54 0.00 1.61 2.15 -0.94 -5.03 116.67 111.48 1xf6 s ASP 101 Ca 0.00 0.17 0.23 0.00 0.43 0.00 0.00 52.55 53.38 1xf6 s ASP 101 Cb 0.00 0.56 0.35 0.00 -0.30 0.00 0.00 42.92 43.53 1xf6 s ASP 101 CO 0.00 -0.84 1.35 0.00 -0.17 0.00 0.00 175.17 175.51 1xf6 n ALA 102 N 0.06 2.43 0.15 3.66 0.00 -1.26 -4.37 120.51 121.18 1xf6 n ALA 102 Ca -0.18 -0.91 -0.14 0.00 0.00 0.00 0.00 53.44 52.21 1xf6 n ALA 102 Cb 0.62 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 1xf6 n ALA 102 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xf6 h SER 103 N 4.43 -0.46 -0.66 0.00 0.02 -1.97 -0.28 113.55 114.63 1xf6 h SER 103 Ca 0.00 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1xf6 h SER 103 Cb 0.97 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1xf6 h SER 103 CO 0.00 -0.27 0.10 0.58 -1.14 0.00 0.00 176.83 176.10 1xf6 h VAL 104 N -0.41 1.26 -0.29 2.27 2.07 -1.99 -0.45 116.25 118.72 1xf6 h VAL 104 Ca -0.01 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1xf6 h VAL 104 Cb 0.36 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1xf6 h VAL 104 CO -0.01 0.39 0.08 0.25 0.02 0.00 0.00 177.57 178.29 1xf6 h LEU 105 N 1.02 0.06 -0.16 2.57 5.85 -1.77 0.13 115.31 123.01 1xf6 h LEU 105 Ca 0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1xf6 h LEU 105 Cb 0.44 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1xf6 h LEU 105 CO 0.01 0.07 0.02 -0.33 -0.34 0.00 0.00 178.44 177.87 1xf6 h GLU 106 N 0.20 0.27 -0.05 1.25 5.08 -0.90 -1.23 114.58 119.20 1xf6 h GLU 106 Ca 0.13 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 1xf6 h GLU 106 Cb 0.12 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xf6 h GLU 106 CO -0.15 0.46 -0.77 0.22 -1.00 0.00 0.00 179.01 177.77 1xf6 h ASP 107 N 0.04 0.77 0.00 1.42 3.58 -0.86 -0.07 116.42 121.30 1xf6 h ASP 107 Ca 0.05 -0.70 -0.00 0.00 0.42 0.00 0.00 57.03 56.79 1xf6 h ASP 107 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1xf6 h ASP 107 CO 0.00 1.36 -1.96 0.54 -2.88 0.00 0.00 179.24 176.31 1xf6 n ARG 108 N -4.04 0.63 -0.07 0.28 5.12 0.43 -4.39 116.66 114.63 1xf6 n ARG 108 Ca -0.10 -0.19 -0.13 0.00 -1.93 0.00 0.00 57.85 55.50 1xf6 n ARG 108 Cb 0.75 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.50 1xf6 n ARG 108 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xf6 n LEU 110 N -3.41 1.71 -4.61 0.00 4.77 -0.54 -4.49 117.00 110.44 1xf6 n LEU 110 Ca -0.26 0.16 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 1xf6 n LEU 110 Cb 0.71 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1xf6 n LEU 110 CO 0.05 0.67 1.66 0.21 -1.33 0.00 0.00 177.39 178.65 1xf6 s ASN 111 N -6.37 5.86 0.00 -1.43 3.84 -0.05 -1.48 114.94 115.31 1xf6 s ASN 111 Ca -0.18 1.82 0.00 0.00 0.21 0.00 0.00 52.86 54.71 1xf6 s ASN 111 Cb 0.07 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1xf6 s ASN 111 CO 0.76 -1.65 0.00 0.61 -2.79 0.00 0.00 177.10 174.03 1xf6 n GLY 112 N 5.32 0.65 0.15 1.21 0.00 -1.26 -4.93 105.19 106.34 1xf6 n GLY 112 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xf6 n GLY 112 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xf6 h LEU 113 N 0.00 0.45 -0.49 0.99 5.85 -1.48 -2.51 115.31 118.11 1xf6 h LEU 113 Ca 0.00 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.39 1xf6 h LEU 113 Cb 0.00 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1xf6 h LEU 113 CO 0.00 0.77 0.06 0.50 -0.34 0.00 0.00 178.44 179.44 1xf6 h LYS 114 N 0.13 0.18 -0.75 1.25 3.64 -1.78 -0.55 116.57 118.69 1xf6 h LYS 114 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xf6 h LYS 114 Cb 0.61 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1xf6 h LYS 114 CO 0.03 0.12 0.50 0.93 -2.27 0.00 0.00 179.45 178.76 1xf6 h GLU 115 N 0.19 1.00 -0.25 1.90 3.07 -1.90 0.10 114.58 118.69 1xf6 h GLU 115 Ca 0.25 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1xf6 h GLU 115 Cb 0.35 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1xf6 h GLU 115 CO -0.35 0.66 0.12 1.15 -1.40 0.00 0.00 179.01 179.19 1xf6 h THR 116 N 1.02 1.15 -0.66 1.13 2.02 -0.97 -1.94 112.91 114.66 1xf6 h THR 116 Ca 0.28 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1xf6 h THR 116 Cb -0.11 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1xf6 h THR 116 CO -0.06 0.15 0.22 1.88 0.37 0.00 0.00 175.52 178.08 1xf6 h TYR 117 N 0.27 1.03 -0.54 3.16 0.99 -0.69 -1.16 116.97 120.01 1xf6 h TYR 117 Ca 0.09 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xf6 h TYR 117 Cb 0.13 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.53 1xf6 h TYR 117 CO -0.02 0.81 0.33 0.77 -0.00 0.00 0.00 178.16 180.05 1xf6 h SER 118 N 0.97 0.66 -0.70 3.88 0.02 -0.67 -0.25 113.55 117.46 1xf6 h SER 118 Ca 0.22 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1xf6 h SER 118 Cb 0.26 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1xf6 h SER 118 CO -0.01 0.52 0.14 -1.28 -1.14 0.00 0.00 176.83 175.06 1xf6 h SER 119 N 0.73 1.08 1.10 3.07 0.87 -0.95 -2.88 113.55 116.57 1xf6 h SER 119 Ca 0.20 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1xf6 h SER 119 Cb -0.01 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1xf6 h SER 119 CO -0.04 1.05 -0.25 -0.07 -0.53 0.00 0.00 176.83 176.99 1xf6 h LEU 120 N 1.07 0.00 0.03 2.23 3.38 -1.00 -3.47 115.31 117.55 1xf6 h LEU 120 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xf6 h LEU 120 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xf6 h LEU 120 CO 0.01 0.25 -0.01 0.61 0.09 0.00 0.00 178.44 179.40 1xf6 n GLY 121 N 0.41 0.37 3.66 0.83 0.00 -0.21 -5.03 105.19 105.23 1xf6 n GLY 121 Ca 0.01 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1xf6 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf6 s VAL 122 N -2.01 4.27 0.00 1.61 1.01 -0.57 -4.94 120.40 119.78 1xf6 s VAL 122 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1xf6 s VAL 122 Cb 0.00 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1xf6 s VAL 122 CO 0.00 -0.12 1.47 -2.16 0.00 0.00 0.00 175.10 174.30 1xf6 s PRO 123 N 3.30 4.25 0.20 2.72 0.04 -1.26 -4.70 135.00 139.54 1xf6 s PRO 123 Ca 0.55 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 1xf6 s PRO 123 Cb -0.22 -3.63 0.13 0.00 0.04 0.00 0.00 34.50 30.82 1xf6 s PRO 123 CO 0.16 -0.64 1.53 0.00 0.04 0.00 0.00 177.00 178.08 1xf6 h ALA 124 N 8.11 0.73 -0.53 8.56 0.00 -1.92 -1.51 119.26 132.70 1xf6 h ALA 124 Ca -0.38 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 1xf6 h ALA 124 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xf6 h ALA 124 CO 0.92 0.67 -0.06 -2.95 0.00 0.00 0.00 179.25 177.83 1xf6 h ASN 125 N 0.46 0.98 -0.47 0.00 -1.07 -1.91 0.28 115.58 113.84 1xf6 h ASN 125 Ca 0.02 -0.33 -0.05 0.00 0.07 0.00 0.00 56.30 56.01 1xf6 h ASN 125 Cb 1.03 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.00 1xf6 h ASN 125 CO 0.10 1.08 0.12 0.28 0.07 0.00 0.00 177.43 179.08 1xf6 h SER 126 N 0.86 0.72 -0.47 6.14 0.02 -1.94 -2.11 113.55 116.75 1xf6 h SER 126 Ca 0.14 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1xf6 h SER 126 Cb 0.62 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1xf6 h SER 126 CO 0.04 0.76 0.27 -1.13 -1.14 0.00 0.00 176.83 175.62 1xf6 h ASN 127 N 0.64 0.59 -0.85 3.07 -0.73 -1.10 -1.38 115.58 115.81 1xf6 h ASN 127 Ca 0.15 -0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.29 1xf6 h ASN 127 Cb 0.32 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1xf6 h ASN 127 CO 0.00 0.50 0.56 0.00 -0.37 0.00 0.00 177.43 178.12 1xf6 h ALA 128 N 1.11 1.54 -0.37 1.57 0.00 -0.78 -1.30 119.26 121.05 1xf6 h ALA 128 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1xf6 h ALA 128 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xf6 h ALA 128 CO -0.03 0.34 -0.15 -0.09 0.00 0.00 0.00 179.25 179.32 1xf6 h ARG 129 N 0.98 0.75 -0.49 0.00 9.65 -0.67 0.26 114.38 124.86 1xf6 h ARG 129 Ca 0.36 -0.32 0.06 0.00 -1.10 0.00 0.00 59.98 58.99 1xf6 h ARG 129 Cb 0.17 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 1xf6 h ARG 129 CO -0.13 0.93 0.19 0.00 2.80 0.00 0.00 179.97 183.76 1xf6 h ALA 130 N 0.80 0.61 -0.68 2.80 0.00 -0.79 -0.64 119.26 121.37 1xf6 h ALA 130 Ca 0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xf6 h ALA 130 Cb 0.69 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1xf6 h ALA 130 CO 0.05 -0.20 0.35 0.28 0.00 0.00 0.00 179.25 179.72 1xf6 h VAL 131 N 0.37 1.22 -0.63 0.00 2.07 -1.03 -1.42 116.25 116.84 1xf6 h VAL 131 Ca 0.23 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1xf6 h VAL 131 Cb 0.23 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1xf6 h VAL 131 CO -0.23 0.25 0.17 0.28 0.02 0.00 0.00 177.57 178.07 1xf6 h SER 132 N 0.94 0.90 -0.39 0.57 0.02 -0.41 0.20 113.55 115.37 1xf6 h SER 132 Ca 0.24 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1xf6 h SER 132 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1xf6 h SER 132 CO -0.03 0.86 -0.07 0.40 -1.14 0.00 0.00 176.83 176.85 1xf6 h ILE 133 N 0.93 1.27 -0.92 3.27 2.04 -0.89 -1.95 117.51 121.26 1xf6 h ILE 133 Ca 0.20 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1xf6 h ILE 133 Cb 0.30 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1xf6 h ILE 133 CO -0.00 0.38 0.61 0.24 0.00 0.00 0.00 178.15 179.37 1xf6 h MET 134 N 0.56 1.16 -0.15 2.37 2.86 -0.84 -1.01 114.93 119.88 1xf6 h MET 134 Ca 0.10 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1xf6 h MET 134 Cb 0.58 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1xf6 h MET 134 CO 0.03 0.77 0.03 -0.22 1.06 0.00 0.00 176.91 178.58 1xf6 h LYS 135 N 1.20 0.08 -0.79 1.72 3.64 -0.73 -0.20 116.57 121.49 1xf6 h LYS 135 Ca 0.35 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1xf6 h LYS 135 Cb -0.05 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1xf6 h LYS 135 CO -0.10 0.06 0.51 0.00 -2.27 0.00 0.00 179.45 177.65 1xf6 h ALA 136 N 1.11 1.02 0.03 5.00 0.00 -0.79 -1.05 119.26 124.59 1xf6 h ALA 136 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xf6 h ALA 136 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xf6 h ALA 136 CO -0.09 0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.43 1xf6 h ALA 138 N 0.80 0.84 -0.25 0.00 0.00 -0.50 -0.84 119.26 119.31 1xf6 h ALA 138 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xf6 h ALA 138 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xf6 h ALA 138 CO -0.05 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.84 1xf6 h VAL 139 N 0.90 0.90 -0.68 0.00 2.07 -1.13 -0.02 116.25 118.29 1xf6 h VAL 139 Ca 0.24 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1xf6 h VAL 139 Cb -0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1xf6 h VAL 139 CO -0.05 0.03 0.34 0.00 0.02 0.00 0.00 177.57 177.91 1xf6 h ALA 140 N 1.18 0.87 -0.58 1.67 0.00 -1.11 -1.79 119.26 119.50 1xf6 h ALA 140 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xf6 h ALA 140 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1xf6 h ALA 140 CO -0.14 0.42 0.21 0.74 0.00 0.00 0.00 179.25 180.47 1xf6 h PHE 141 N 0.94 0.91 -0.52 0.00 0.04 -0.80 0.77 116.94 118.28 1xf6 h PHE 141 Ca 0.23 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.93 1xf6 h PHE 141 Cb 0.09 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1xf6 h PHE 141 CO 0.00 0.75 0.34 0.28 -0.60 0.00 0.00 178.31 179.08 1xf6 h VAL 142 N 0.81 1.11 -0.01 -0.55 2.07 -0.79 -1.93 116.25 116.96 1xf6 h VAL 142 Ca 0.19 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xf6 h VAL 142 Cb 0.25 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1xf6 h VAL 142 CO -0.01 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.29 1xf6 n ASN 143 N -4.74 0.31 -3.71 0.57 3.02 -0.69 -4.89 115.26 105.13 1xf6 n ASN 143 Ca 0.03 -1.14 -0.25 0.00 -0.03 0.00 0.00 54.58 53.19 1xf6 n ASN 143 Cb 0.04 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.25 1xf6 n ASN 143 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xf6 n ASN 144 N -0.74 -3.95 -0.12 6.41 5.15 0.01 -4.92 115.26 117.11 1xf6 n ASN 144 Ca 0.22 -0.70 0.01 0.00 -0.60 0.00 0.00 54.58 53.51 1xf6 n ASN 144 Cb 0.16 -4.41 0.03 0.00 -0.53 0.00 0.00 39.78 35.03 1xf6 n ASN 144 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xf6 n THR 145 N -4.60 1.00 -1.19 -0.44 -2.24 0.05 -4.89 114.28 101.97 1xf6 n THR 145 Ca -0.10 -1.00 -0.29 0.00 -2.27 0.00 0.00 64.05 60.39 1xf6 n THR 145 Cb 0.59 0.50 0.16 0.00 -2.10 0.00 0.00 70.33 69.48 1xf6 n THR 145 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xf6 s ALA 146 N -1.01 1.22 0.25 6.98 0.00 -1.20 -4.95 121.76 123.05 1xf6 s ALA 146 Ca 0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1xf6 s ALA 146 Cb 0.02 -3.15 0.28 0.00 0.00 0.00 0.00 23.12 20.27 1xf6 s ALA 146 CO 0.03 -2.62 1.81 0.66 0.00 0.00 0.00 175.76 175.64 1xf6 h SER 147 N -1.74 0.97 -3.59 0.00 4.64 -1.96 -3.37 113.55 108.50 1xf6 h SER 147 Ca -0.52 -0.15 -0.63 0.00 -0.47 0.00 0.00 61.79 60.02 1xf6 h SER 147 Cb 1.31 -0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.01 1xf6 h SER 147 CO 0.56 0.87 0.00 -1.10 -0.87 0.00 0.00 176.83 176.30 1xf6 s GLN 148 N -5.45 3.86 0.17 4.77 -1.52 -1.26 -5.07 119.66 115.16 1xf6 s GLN 148 Ca -0.11 0.12 0.10 0.00 -1.95 0.00 0.00 55.36 53.52 1xf6 s GLN 148 Cb 0.16 -3.73 -0.04 0.00 -0.22 0.00 0.00 33.01 29.18 1xf6 s GLN 148 CO 0.82 -0.51 -0.16 0.15 -0.25 0.00 0.00 175.29 175.35 1xf6 s LYS 149 N 2.41 1.84 0.10 2.91 1.02 -1.26 -4.93 119.74 121.83 1xf6 s LYS 149 Ca 0.21 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 1xf6 s LYS 149 Cb -0.15 -2.06 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1xf6 s LYS 149 CO 0.11 0.44 0.96 0.21 -0.92 0.00 0.00 175.35 176.15 1xf6 s LYS 150 N -2.63 4.68 -0.07 1.68 2.20 -1.26 -4.97 119.74 119.37 1xf6 s LYS 150 Ca 0.22 1.44 -0.27 0.00 -0.36 0.00 0.00 55.97 57.00 1xf6 s LYS 150 Cb -0.09 -3.38 -0.23 0.00 -1.51 0.00 0.00 37.83 32.61 1xf6 s LYS 150 CO 0.12 0.19 1.02 1.25 -0.36 0.00 0.00 175.35 177.57 1xf6 h LEU 151 N 5.70 0.06 -3.78 5.43 5.85 -2.01 -3.41 115.31 123.15 1xf6 h LEU 151 Ca -0.43 -0.76 -0.56 0.00 0.84 0.00 0.00 57.88 56.98 1xf6 h LEU 151 Cb 1.21 -0.02 -0.38 0.00 0.37 0.00 0.00 40.66 41.84 1xf6 h LEU 151 CO 0.72 0.81 -0.41 -1.54 -0.34 0.00 0.00 178.44 177.68 1xf6 n SER 152 N -4.67 5.43 -4.84 1.25 3.41 -1.26 -5.06 113.62 107.89 1xf6 n SER 152 Ca -0.09 -3.76 -0.36 0.00 -0.26 0.00 0.00 58.87 54.40 1xf6 n SER 152 Cb 0.40 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1xf6 n SER 152 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xf6 s THR 153 N -4.59 4.77 0.33 6.66 2.01 -1.26 -4.99 115.64 118.58 1xf6 s THR 153 Ca 0.54 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 1xf6 s THR 153 Cb 0.43 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 69.06 1xf6 s THR 153 CO 0.03 0.23 1.57 -2.84 -0.69 0.00 0.00 174.62 172.92 1xf6 s PRO 154 N -1.96 4.10 0.25 4.92 0.02 -1.26 -4.91 135.00 136.16 1xf6 s PRO 154 Ca 0.39 2.61 -0.30 0.00 0.02 0.00 0.00 61.00 63.72 1xf6 s PRO 154 Cb -0.15 -2.99 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 1xf6 s PRO 154 CO 0.20 -0.62 1.36 -1.14 -0.33 0.00 0.00 177.00 176.47 1xf6 s GLN 155 N -1.12 4.33 -0.06 5.54 2.00 -1.26 -4.97 119.66 124.12 1xf6 s GLN 155 Ca 0.60 2.19 -0.22 0.00 -2.00 0.00 0.00 55.36 55.92 1xf6 s GLN 155 Cb -0.48 -3.14 0.07 0.00 0.80 0.00 0.00 33.01 30.27 1xf6 s GLN 155 CO 0.54 -0.31 0.98 0.41 -0.50 0.00 0.00 175.29 176.42 1xf6 n GLY 156 N 2.00 0.20 3.54 2.59 0.00 -1.26 -5.13 105.19 107.13 1xf6 n GLY 156 Ca 0.05 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 1xf6 n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xf6 s ASP 157 N -3.15 5.69 -0.22 1.61 2.15 -1.26 -4.93 116.67 116.56 1xf6 s ASP 157 Ca 0.23 -0.07 0.14 0.00 0.43 0.00 0.00 52.55 53.29 1xf6 s ASP 157 Cb -0.00 -2.04 0.56 0.00 -0.30 0.00 0.00 42.92 41.14 1xf6 s ASP 157 CO -0.02 -0.03 1.49 0.00 -0.17 0.00 0.00 175.17 176.45 1xf6 h SER 159 N 1.77 0.35 -0.10 0.00 4.64 -1.94 -0.33 113.55 117.94 1xf6 h SER 159 Ca 0.09 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1xf6 h SER 159 Cb 1.63 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1xf6 h SER 159 CO 0.34 0.26 0.05 1.23 -0.87 0.00 0.00 176.83 177.83 1xf6 h GLY 160 N 0.42 0.16 1.23 -0.77 0.00 -1.99 -0.43 103.07 101.69 1xf6 h GLY 160 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1xf6 h GLY 160 CO -0.02 0.08 0.20 1.41 0.00 0.00 0.00 176.54 178.20 1xf6 h LEU 161 N 0.03 0.90 -0.85 3.11 3.38 -1.81 -0.30 115.31 119.76 1xf6 h LEU 161 Ca 0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1xf6 h LEU 161 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1xf6 h LEU 161 CO -0.00 0.85 0.19 0.00 0.09 0.00 0.00 178.44 179.56 1xf6 h ALA 162 N 1.28 1.07 -0.57 1.53 0.00 -0.89 -0.60 119.26 121.08 1xf6 h ALA 162 Ca 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xf6 h ALA 162 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xf6 h ALA 162 CO -0.01 0.63 0.17 1.03 0.00 0.00 0.00 179.25 181.07 1xf6 h SER 163 N 1.00 0.84 -0.15 0.00 0.87 -0.67 -1.77 113.55 113.67 1xf6 h SER 163 Ca 0.22 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xf6 h SER 163 Cb 0.31 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1xf6 h SER 163 CO -0.00 0.83 0.08 -0.08 -0.53 0.00 0.00 176.83 177.12 1xf6 h GLU 164 N 0.80 0.21 -0.43 2.24 4.81 -0.66 -1.16 114.58 120.38 1xf6 h GLU 164 Ca 0.18 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1xf6 h GLU 164 Cb 0.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1xf6 h GLU 164 CO -0.00 0.23 -0.01 -0.24 -0.73 0.00 0.00 179.01 178.25 1xf6 h VAL 165 N 0.13 1.23 -0.97 0.32 3.04 -1.07 -1.85 116.25 117.08 1xf6 h VAL 165 Ca 0.05 -0.96 0.07 0.00 -1.01 0.00 0.00 66.70 64.85 1xf6 h VAL 165 Cb 0.08 0.92 -0.07 0.00 -2.01 0.00 0.00 31.29 30.21 1xf6 h VAL 165 CO -0.01 0.33 0.62 1.23 -1.01 0.00 0.00 177.57 178.73 1xf6 h GLY 166 N 0.95 1.49 1.46 3.17 0.00 -0.91 -1.66 103.07 107.56 1xf6 h GLY 166 Ca 0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1xf6 h GLY 166 CO 0.02 0.29 0.09 -1.33 0.00 0.00 0.00 176.54 175.61 1xf6 h GLY 167 N 1.10 0.74 0.96 4.60 0.00 -0.40 -0.83 103.07 109.24 1xf6 h GLY 167 Ca 0.43 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 1xf6 h GLY 167 CO -0.19 0.39 0.01 -0.97 0.00 0.00 0.00 176.54 175.79 1xf6 h TYR 168 N 0.66 0.82 -0.92 5.60 0.05 -0.91 -1.55 116.97 120.73 1xf6 h TYR 168 Ca 0.15 -0.14 0.04 0.00 0.05 0.00 0.00 58.73 58.83 1xf6 h TYR 168 Cb 0.28 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 37.76 1xf6 h TYR 168 CO 0.01 0.80 0.59 0.74 -1.05 0.00 0.00 178.16 179.26 1xf6 h PHE 169 N 0.59 1.11 -0.34 4.88 -1.00 -1.05 -2.26 116.94 118.87 1xf6 h PHE 169 Ca 0.12 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 1xf6 h PHE 169 Cb 0.47 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1xf6 h PHE 169 CO 0.04 0.63 0.04 -0.44 -1.61 0.00 0.00 178.31 176.97 1xf6 h ASP 170 N 1.14 0.47 -0.78 2.17 3.32 -0.82 -0.71 116.42 121.21 1xf6 h ASP 170 Ca 0.37 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1xf6 h ASP 170 Cb 0.03 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1xf6 h ASP 170 CO -0.13 0.51 0.46 0.11 -1.72 0.00 0.00 179.24 178.46 1xf6 h LYS 171 N 0.49 1.07 0.10 3.56 1.57 -0.72 -0.05 116.57 122.59 1xf6 h LYS 171 Ca 0.11 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xf6 h LYS 171 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xf6 h LYS 171 CO 0.00 0.76 -0.05 0.28 -0.57 0.00 0.00 179.45 179.88 1xf6 h VAL 172 N 1.07 0.94 -0.59 0.50 2.07 -0.87 -1.76 116.25 117.60 1xf6 h VAL 172 Ca 0.28 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1xf6 h VAL 172 Cb -0.02 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1xf6 h VAL 172 CO -0.05 0.03 0.28 0.74 0.02 0.00 0.00 177.57 178.59 1xf6 h THR 173 N -0.19 0.88 -0.62 2.57 2.02 -0.94 -1.82 112.91 114.79 1xf6 h THR 173 Ca -0.01 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1xf6 h THR 173 Cb 0.16 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1xf6 h THR 173 CO 0.02 0.09 0.23 0.00 0.37 0.00 0.00 175.52 176.24 1xf6 h ALA 174 N 1.36 1.24 -0.29 6.16 0.00 -0.89 -1.26 119.26 125.57 1xf6 h ALA 174 Ca 0.28 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1xf6 h ALA 174 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xf6 h ALA 174 CO -0.23 0.55 -0.44 0.00 0.00 0.00 0.00 179.25 179.14 1xf6 h ALA 175 N 1.35 0.69 -0.01 0.00 0.00 -0.62 -3.33 119.26 117.35 1xf6 h ALA 175 Ca 0.21 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1xf6 h ALA 175 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xf6 h ALA 175 CO -0.02 0.67 -0.53 0.44 0.00 0.00 0.00 179.25 179.82 1xf6 n ILE 176 N -4.02 0.00 1.45 0.00 -5.35 -0.75 -4.45 119.36 106.23 1xf6 n ILE 176 Ca -0.02 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.34 1xf6 n ILE 176 Cb 0.55 1.11 0.69 0.00 -1.74 0.00 0.00 39.64 40.26 1xf6 n ILE 176 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59