#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfs s PRO 5 N 0.00 4.23 0.63 -0.78 0.04 -1.26 -5.00 135.00 132.86 1xfs s PRO 5 Ca 0.00 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 1xfs s PRO 5 Cb 0.00 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 1xfs s PRO 5 CO 0.00 -0.48 1.04 0.96 0.04 0.00 0.00 177.00 178.56 1xfs s ILE 6 N 0.01 4.57 -0.48 0.56 -4.36 -1.26 -5.01 121.20 115.23 1xfs s ILE 6 Ca 0.60 0.84 -0.16 0.00 -0.26 0.00 0.00 60.65 61.67 1xfs s ILE 6 Cb -0.43 -3.79 0.07 0.00 1.25 0.00 0.00 42.46 39.56 1xfs s ILE 6 CO 0.44 -1.09 0.43 -0.62 0.24 0.00 0.00 174.94 174.35 1xfs s ASP 7 N -4.12 6.16 0.63 4.36 3.68 -1.26 -4.95 116.67 121.18 1xfs s ASP 7 Ca 0.56 -1.28 0.28 0.00 2.13 0.00 0.00 52.55 54.24 1xfs s ASP 7 Cb -0.11 -2.20 1.50 0.00 -1.45 0.00 0.00 42.92 40.65 1xfs s ASP 7 CO 0.54 -0.69 1.87 0.00 0.13 0.00 0.00 175.17 177.02 1xfs h ALA 8 N 8.80 1.71 0.00 3.66 0.00 -1.95 0.26 119.26 131.73 1xfs h ALA 8 Ca -0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1xfs h ALA 8 Cb 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xfs h ALA 8 CO 0.90 -0.52 -0.65 0.93 0.00 0.00 0.00 179.25 179.91 1xfs h GLU 9 N 0.00 0.00 0.00 0.00 4.39 -2.02 -3.38 114.58 113.57 1xfs h GLU 9 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1xfs h GLU 9 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1xfs h GLU 9 CO -0.00 0.12 -0.20 1.28 -1.16 0.00 0.00 179.01 179.05 1xfs n LEU 10 N -2.93 0.00 -4.49 1.33 4.77 -0.24 -4.34 117.00 111.09 1xfs n LEU 10 Ca 0.00 -0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 1xfs n LEU 10 Cb 0.61 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1xfs n LEU 10 CO 0.38 0.00 -0.47 -1.81 -1.33 0.00 0.00 177.39 174.17 1xfs s ASP 11 N -1.11 3.98 0.43 -1.43 -0.00 0.75 -1.58 116.67 117.72 1xfs s ASP 11 Ca 0.00 -0.36 0.02 0.00 -0.00 0.00 0.00 52.55 52.20 1xfs s ASP 11 Cb 0.00 -0.72 0.02 0.00 -0.00 0.00 0.00 42.92 42.22 1xfs s ASP 11 CO 0.00 0.26 0.13 0.18 -0.00 0.00 0.00 175.17 175.74 1xfs n LEU 12 N 1.56 0.00 0.00 1.23 4.77 -0.55 -4.70 117.00 119.31 1xfs n LEU 12 Ca -0.16 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 1xfs n LEU 12 Cb 0.52 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1xfs n LEU 12 CO 0.28 -0.43 0.00 -0.11 -1.33 0.00 0.00 177.39 175.79 1xfs n LEU 14 N 0.00 0.00 -4.18 2.23 7.94 0.24 -0.67 117.00 122.56 1xfs n LEU 14 Ca -0.12 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.47 1xfs n LEU 14 Cb 0.53 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.31 1xfs n LEU 14 CO 0.29 0.00 -0.54 -0.54 -1.11 0.00 0.00 177.39 175.49 1xfs s LYS 15 N 0.00 2.88 -0.04 1.96 1.02 -1.26 -0.95 119.74 123.36 1xfs s LYS 15 Ca 0.00 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 1xfs s LYS 15 Cb 0.00 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1xfs s LYS 15 CO 0.00 0.09 0.30 1.03 -0.92 0.00 0.00 175.35 175.86 1xfs s ARG 16 N 0.55 0.59 -0.26 1.68 0.52 -0.23 -5.02 118.95 116.79 1xfs s ARG 16 Ca -0.14 -0.05 -0.10 0.00 -0.52 0.00 0.00 55.73 54.92 1xfs s ARG 16 Cb -0.17 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1xfs s ARG 16 CO 0.05 -0.15 0.15 -1.21 0.02 0.00 0.00 175.30 174.16 1xfs s GLU 17 N -0.97 3.92 -0.20 3.54 0.41 -1.26 -0.41 118.70 123.74 1xfs s GLU 17 Ca -0.10 -0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 54.06 1xfs s GLU 17 Cb -0.05 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.75 1xfs s GLU 17 CO 0.03 -0.08 0.02 -0.51 -0.49 0.00 0.00 175.26 174.23 1xfs s LEU 18 N 1.43 3.40 -0.45 1.80 1.43 -0.31 -4.97 118.68 121.01 1xfs s LEU 18 Ca 0.07 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1xfs s LEU 18 Cb -0.15 -1.86 -0.22 0.00 0.03 0.00 0.00 46.19 43.99 1xfs s LEU 18 CO 0.07 0.08 3.45 0.00 0.23 0.00 0.00 176.35 180.18 1xfs n ALA 19 N 4.14 6.72 -3.02 4.21 0.00 -1.26 -0.35 120.51 130.94 1xfs n ALA 19 Ca -0.17 -2.30 -0.10 0.00 0.00 0.00 0.00 53.44 50.87 1xfs n ALA 19 Cb 0.52 -2.61 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 1xfs n ALA 19 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xfs s VAL 20 N 1.32 0.09 0.51 0.00 1.01 -1.26 -4.90 120.40 117.17 1xfs s VAL 20 Ca 0.68 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1xfs s VAL 20 Cb 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 36.38 36.29 1xfs s VAL 20 CO -0.02 -0.42 1.18 -2.16 0.00 0.00 0.00 175.10 173.69 1xfs s PRO 21 N -1.31 3.47 0.42 2.72 0.04 -1.26 -2.58 135.00 136.50 1xfs s PRO 21 Ca -0.14 1.78 0.16 0.00 0.04 0.00 0.00 61.00 62.84 1xfs s PRO 21 Cb -0.08 -2.21 1.05 0.00 0.04 0.00 0.00 34.50 33.30 1xfs s PRO 21 CO -0.00 -0.79 1.88 -0.24 0.04 0.00 0.00 177.00 177.88 1xfs h VAL 22 N 1.50 0.73 -0.46 -0.36 3.04 -1.96 -1.14 116.25 117.59 1xfs h VAL 22 Ca -0.50 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 1xfs h VAL 22 Cb 1.26 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.78 1xfs h VAL 22 CO 0.58 0.08 0.09 -0.55 -1.01 0.00 0.00 177.57 176.76 1xfs h ASN 23 N 0.43 0.66 -0.06 3.17 -1.07 -1.95 -1.08 115.58 115.68 1xfs h ASN 23 Ca 0.44 -0.12 -0.22 0.00 0.07 0.00 0.00 56.30 56.47 1xfs h ASN 23 Cb 1.03 -0.17 0.01 0.00 -2.07 0.00 0.00 38.32 37.12 1xfs h ASN 23 CO -0.16 0.67 -0.79 -0.07 0.07 0.00 0.00 177.43 177.15 1xfs h LEU 24 N 0.68 0.86 -0.66 6.14 3.38 -1.59 -2.09 115.31 122.03 1xfs h LEU 24 Ca 0.15 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1xfs h LEU 24 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1xfs h LEU 24 CO 0.00 1.36 0.41 0.58 0.09 0.00 0.00 178.44 180.89 1xfs h VAL 25 N 0.49 1.18 -0.65 1.22 2.07 -1.18 -0.06 116.25 119.32 1xfs h VAL 25 Ca -0.05 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1xfs h VAL 25 Cb 1.41 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1xfs h VAL 25 CO 0.16 0.18 0.35 -0.25 0.02 0.00 0.00 177.57 178.03 1xfs h TRP 26 N 0.89 0.89 -0.61 1.57 2.91 -1.14 -1.64 115.95 118.82 1xfs h TRP 26 Ca 0.24 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 1xfs h TRP 26 Cb -0.06 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.28 1xfs h TRP 26 CO -0.02 0.64 0.34 0.00 -1.03 0.00 0.00 178.44 178.37 1xfs h ARG 27 N 0.88 0.85 -0.54 2.65 3.08 -0.73 -2.18 114.38 118.39 1xfs h ARG 27 Ca 0.23 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1xfs h ARG 27 Cb 0.05 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1xfs h ARG 27 CO -0.04 0.65 0.36 0.78 -1.07 0.00 0.00 179.97 180.65 1xfs h GLY 28 N 0.83 0.73 1.86 0.04 0.00 -0.44 -0.36 103.07 105.73 1xfs h GLY 28 Ca 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xfs h GLY 28 CO -0.04 0.24 -0.10 1.04 0.00 0.00 0.00 176.54 177.69 1xfs n LEU 29 N -4.46 0.81 0.00 3.11 4.77 -0.67 -3.92 117.00 116.63 1xfs n LEU 29 Ca 0.06 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1xfs n LEU 29 Cb 0.10 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1xfs n LEU 29 CO 0.35 -0.16 -0.12 0.35 -1.33 0.00 0.00 177.39 176.48 1xfs n THR 30 N -2.25 0.00 -3.53 -5.08 -2.24 -0.87 -5.00 114.28 95.31 1xfs n THR 30 Ca 0.05 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1xfs n THR 30 Cb 0.43 0.83 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1xfs n THR 30 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xfs s GLU 31 N -1.05 3.64 0.29 -0.78 2.02 -0.20 -4.92 118.70 117.70 1xfs s GLU 31 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1xfs s GLU 31 Cb 0.00 -3.76 0.72 0.00 0.10 0.00 0.00 34.13 31.19 1xfs s GLU 31 CO 0.00 -0.37 1.65 -1.35 0.02 0.00 0.00 175.26 175.20 1xfs h PRO 32 N 8.45 0.21 -0.94 0.39 0.11 -1.89 0.95 132.00 139.27 1xfs h PRO 32 Ca -0.32 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.87 1xfs h PRO 32 Cb 1.17 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 1xfs h PRO 32 CO 0.62 0.14 0.60 0.93 -0.21 0.00 0.00 178.00 180.08 1xfs h GLU 33 N 0.21 0.94 0.05 1.05 4.39 -1.94 -1.68 114.58 117.60 1xfs h GLU 33 Ca 0.56 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.12 1xfs h GLU 33 Cb 1.13 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1xfs h GLU 33 CO -0.65 0.62 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.40 1xfs h LEU 34 N 0.97 0.17 -0.97 1.33 3.38 -1.23 -3.35 115.31 115.62 1xfs h LEU 34 Ca 0.44 -0.97 0.21 0.00 0.09 0.00 0.00 57.88 57.65 1xfs h LEU 34 Cb 0.38 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 1xfs h LEU 34 CO -0.19 1.16 0.55 -0.07 0.09 0.00 0.00 178.44 179.98 1xfs h LEU 35 N -0.76 0.64 0.00 1.67 3.38 -0.79 0.19 115.31 119.64 1xfs h LEU 35 Ca -0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xfs h LEU 35 Cb 1.25 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xfs h LEU 35 CO 0.05 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.03 1xfs n LYS 36 N -4.87 0.08 -0.18 1.13 5.02 -0.66 -1.71 118.16 116.97 1xfs n LYS 36 Ca 0.24 0.26 0.06 0.00 -2.02 0.00 0.00 58.31 56.84 1xfs n LYS 36 Cb 0.63 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.30 1xfs n LYS 36 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xfs n LYS 37 N -1.36 2.86 0.00 1.97 5.02 0.67 -4.24 118.16 123.08 1xfs n LYS 37 Ca 0.03 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 1xfs n LYS 37 Cb 0.08 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1xfs n LYS 37 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1xfs n TRP 38 N 0.54 0.00 -0.07 2.13 4.27 -1.06 -4.85 117.44 118.40 1xfs n TRP 38 Ca 0.12 0.00 0.23 0.00 -3.89 0.00 0.00 57.50 53.96 1xfs n TRP 38 Cb 0.43 0.00 0.70 0.00 -1.36 0.00 0.00 31.31 31.08 1xfs n TRP 38 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1xfs h PHE 39 N 0.00 0.02 -4.36 -2.67 3.57 -1.61 -3.42 116.94 108.46 1xfs h PHE 39 Ca 0.00 0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.88 1xfs h PHE 39 Cb 0.00 -0.00 -0.28 0.00 2.79 0.00 0.00 35.95 38.45 1xfs h PHE 39 CO 0.00 0.01 -0.86 0.14 -2.23 0.00 0.00 178.31 175.37 1xfs s VAL 40 N -5.01 1.77 0.04 1.41 -7.23 -1.26 -4.93 120.40 105.19 1xfs s VAL 40 Ca -0.05 -1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.74 1xfs s VAL 40 Cb 0.20 -1.50 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 1xfs s VAL 40 CO 0.75 0.39 1.24 -2.16 -0.31 0.00 0.00 175.10 175.01 1xfs s PRO 41 N -0.81 4.39 0.89 4.82 0.04 -1.26 -4.80 135.00 138.27 1xfs s PRO 41 Ca 0.09 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 1xfs s PRO 41 Cb -0.09 -3.39 0.13 0.00 0.04 0.00 0.00 34.50 31.19 1xfs s PRO 41 CO 0.00 -0.34 1.10 -1.59 0.04 0.00 0.00 177.00 176.21 1xfs s LYS 42 N 1.37 1.30 0.00 4.56 -2.85 -1.26 -1.90 119.74 120.97 1xfs s LYS 42 Ca 0.60 1.14 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 1xfs s LYS 42 Cb -0.30 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1xfs s LYS 42 CO 0.28 -2.30 0.91 -0.35 0.10 0.00 0.00 175.35 173.99 1xfs n PRO 43 N -3.97 0.00 -1.41 1.78 -0.04 -1.26 -5.06 135.00 125.04 1xfs n PRO 43 Ca 0.09 0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 63.62 1xfs n PRO 43 Cb 0.53 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1xfs n PRO 43 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xfs s TRP 44 N -2.83 1.99 0.25 0.54 0.52 -0.80 -4.50 118.94 114.12 1xfs s TRP 44 Ca 0.00 1.60 -0.08 0.00 0.02 0.00 0.00 56.10 57.63 1xfs s TRP 44 Cb 0.00 -3.52 -0.01 0.00 -1.15 0.00 0.00 33.47 28.79 1xfs s TRP 44 CO 0.00 -2.73 0.39 -1.54 0.02 0.00 0.00 176.95 173.09 1xfs s SER 45 N -1.94 0.11 -0.21 2.95 1.04 -0.40 -4.69 113.70 110.56 1xfs s SER 45 Ca 0.76 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1xfs s SER 45 Cb -0.31 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1xfs s SER 45 CO 0.45 -1.09 -0.11 -0.63 0.98 0.00 0.00 173.24 172.84 1xfs s ILE 46 N -3.91 1.80 -0.31 -1.02 1.01 -1.26 -0.03 121.20 117.48 1xfs s ILE 46 Ca 0.28 -1.15 0.22 0.00 0.00 0.00 0.00 60.65 60.00 1xfs s ILE 46 Cb 0.01 -1.86 0.14 0.00 0.01 0.00 0.00 42.46 40.76 1xfs s ILE 46 CO 0.11 0.16 1.29 0.77 0.00 0.00 0.00 174.94 177.27 1xfs h SER 47 N 7.92 0.00 -4.48 3.58 4.64 -1.48 -3.47 113.55 120.27 1xfs h SER 47 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1xfs h SER 47 Cb 1.09 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.96 1xfs h SER 47 CO 0.49 0.06 -0.16 -0.62 -0.87 0.00 0.00 176.83 175.73 1xfs s ASP 48 N -5.80 -0.39 -0.17 4.97 3.68 -1.25 -4.99 116.67 112.72 1xfs s ASP 48 Ca 0.03 0.57 -0.11 0.00 2.13 0.00 0.00 52.55 55.16 1xfs s ASP 48 Cb 0.07 0.63 0.05 0.00 -1.45 0.00 0.00 42.92 42.23 1xfs s ASP 48 CO 0.74 -0.34 0.43 0.00 0.13 0.00 0.00 175.17 176.13 1xfs s ARG 50 N 1.05 1.53 -0.05 0.00 3.52 0.72 -4.86 118.95 120.87 1xfs s ARG 50 Ca -0.07 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1xfs s ARG 50 Cb -0.07 -1.34 0.03 0.00 -1.56 0.00 0.00 34.95 32.01 1xfs s ARG 50 CO -0.09 0.18 0.02 0.08 -0.81 0.00 0.00 175.30 174.68 1xfs s VAL 51 N 0.17 0.13 -0.54 7.11 1.01 -1.26 -0.55 120.40 126.47 1xfs s VAL 51 Ca -0.05 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1xfs s VAL 51 Cb -0.11 -0.31 0.14 0.00 0.00 0.00 0.00 36.38 36.10 1xfs s VAL 51 CO 0.02 0.19 0.35 -0.62 0.00 0.00 0.00 175.10 175.04 1xfs s ASP 52 N 1.73 5.18 -1.24 3.32 -1.08 -0.58 -5.00 116.67 119.00 1xfs s ASP 52 Ca 0.00 -2.58 -0.21 0.00 -0.52 0.00 0.00 52.55 49.24 1xfs s ASP 52 Cb -0.13 -1.83 -0.02 0.00 -1.46 0.00 0.00 42.92 39.48 1xfs s ASP 52 CO -0.03 -0.42 1.85 -0.11 0.52 0.00 0.00 175.17 176.98 1xfs n LEU 53 N 3.84 3.93 -3.51 -1.34 7.94 -1.26 -4.07 117.00 122.53 1xfs n LEU 53 Ca 0.04 -3.51 -0.10 0.00 -1.11 0.00 0.00 56.01 51.34 1xfs n LEU 53 Cb 0.39 -1.74 -0.03 0.00 0.53 0.00 0.00 43.42 42.57 1xfs n LEU 53 CO 0.33 -0.94 0.64 0.00 -1.11 0.00 0.00 177.39 176.32 1xfs s ARG 54 N 5.46 0.87 0.17 1.96 1.70 -1.26 -5.03 118.95 122.80 1xfs s ARG 54 Ca 0.62 -0.20 -0.32 0.00 -0.47 0.00 0.00 55.73 55.36 1xfs s ARG 54 Cb 0.02 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.69 1xfs s ARG 54 CO 0.11 -0.35 1.75 -2.14 -1.08 0.00 0.00 175.30 173.59 1xfs s PRO 55 N -2.69 4.14 0.00 3.89 0.02 -1.26 -0.36 135.00 138.73 1xfs s PRO 55 Ca 0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1xfs s PRO 55 Cb -0.01 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1xfs s PRO 55 CO -0.06 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 1xfs n GLY 56 N 4.07 0.81 3.81 0.52 0.00 0.68 -4.98 105.19 110.10 1xfs n GLY 56 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1xfs n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfs s GLY 57 N -1.65 2.49 0.44 -0.02 0.00 0.51 -0.64 107.32 108.45 1xfs s GLY 57 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.91 1xfs s GLY 57 CO 0.00 0.73 1.05 -1.83 0.00 0.00 0.00 173.10 173.04 1xfs s GLU 58 N -2.89 4.00 -0.28 2.90 -1.05 -1.26 -0.99 118.70 119.13 1xfs s GLU 58 Ca 0.59 1.45 0.00 0.00 -0.15 0.00 0.00 54.97 56.85 1xfs s GLU 58 Cb -0.11 -2.34 0.09 0.00 -0.44 0.00 0.00 34.13 31.32 1xfs s GLU 58 CO 0.16 -0.27 0.04 0.12 0.95 0.00 0.00 175.26 176.26 1xfs s PHE 59 N -1.80 2.20 -0.06 4.83 5.99 -0.80 -1.53 117.98 126.79 1xfs s PHE 59 Ca 0.62 -1.89 0.05 0.00 0.00 0.00 0.00 56.93 55.71 1xfs s PHE 59 Cb -0.19 -1.84 -0.01 0.00 0.00 0.00 0.00 43.02 40.97 1xfs s PHE 59 CO 0.24 -0.84 -0.22 -0.47 -0.00 0.00 0.00 175.22 173.93 1xfs s TYR 60 N 1.45 2.52 0.02 10.12 6.14 0.29 -0.19 117.35 137.71 1xfs s TYR 60 Ca 0.05 -0.62 -0.01 0.00 0.64 0.00 0.00 57.07 57.13 1xfs s TYR 60 Cb -0.18 -1.63 -0.02 0.00 0.42 0.00 0.00 41.96 40.55 1xfs s TYR 60 CO -0.15 -0.15 -0.00 0.95 0.64 0.00 0.00 175.55 176.83 1xfs s THR 61 N -0.20 0.11 0.51 4.34 -4.23 -0.45 -0.20 115.64 115.52 1xfs s THR 61 Ca -0.02 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1xfs s THR 61 Cb -0.13 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 1xfs s THR 61 CO 0.03 -0.51 0.03 -0.69 -0.54 0.00 0.00 174.62 172.94 1xfs s VAL 62 N -1.61 0.91 0.00 2.29 1.01 0.19 -0.43 120.40 122.76 1xfs s VAL 62 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.84 1xfs s VAL 62 Cb -0.09 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1xfs s VAL 62 CO -0.01 0.00 0.00 1.67 0.00 0.00 0.00 175.10 176.76 1xfs n GLN 64 N -1.23 0.00 -3.88 2.72 7.27 0.95 -1.10 117.38 122.12 1xfs n GLN 64 Ca -0.18 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.67 1xfs n GLN 64 Cb 0.66 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.27 1xfs n GLN 64 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1xfs s ASP 65 N 0.00 4.95 0.31 1.69 3.84 -1.01 -1.27 116.67 125.17 1xfs s ASP 65 Ca 0.00 -0.71 0.17 0.00 -0.00 0.00 0.00 52.55 52.02 1xfs s ASP 65 Cb 0.00 -0.75 0.93 0.00 -1.38 0.00 0.00 42.92 41.73 1xfs s ASP 65 CO 0.00 -0.43 1.48 -0.81 -0.00 0.00 0.00 175.17 175.41 1xfs n PRO 66 N -1.33 0.11 0.10 2.11 -0.04 -1.26 -0.62 135.00 134.07 1xfs n PRO 66 Ca -0.01 0.60 -0.19 0.00 -0.04 0.00 0.00 63.50 63.86 1xfs n PRO 66 Cb 0.61 -2.00 -0.12 0.00 -0.04 0.00 0.00 33.50 31.96 1xfs n PRO 66 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xfs h GLU 67 N 0.00 0.49 0.00 0.54 4.39 -1.98 -3.47 114.58 114.54 1xfs h GLU 67 Ca 0.00 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.02 1xfs h GLU 67 Cb 0.25 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1xfs h GLU 67 CO 0.00 1.30 0.00 0.41 -1.16 0.00 0.00 179.01 179.56 1xfs n GLY 68 N 1.38 1.23 3.74 -3.84 0.00 0.21 -5.10 105.19 102.80 1xfs n GLY 68 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1xfs n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfs s ASN 69 N -1.12 6.73 0.06 1.61 0.02 -1.26 -4.79 114.94 116.19 1xfs s ASN 69 Ca 0.00 2.55 0.03 0.00 -1.02 0.00 0.00 52.86 54.41 1xfs s ASN 69 Cb 0.00 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 1xfs s ASN 69 CO 0.00 -0.67 0.06 -0.54 0.02 0.00 0.00 177.10 175.97 1xfs s LYS 70 N 0.09 2.84 -0.34 -0.60 1.02 -1.26 -2.40 119.74 119.10 1xfs s LYS 70 Ca 0.61 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1xfs s LYS 70 Cb -0.40 -2.71 0.12 0.00 -0.52 0.00 0.00 37.83 34.32 1xfs s LYS 70 CO 0.39 0.58 0.16 -0.06 -0.92 0.00 0.00 175.35 175.50 1xfs s PHE 71 N -1.31 1.07 0.37 3.18 0.08 -1.26 -4.98 117.98 115.12 1xfs s PHE 71 Ca 0.27 -1.57 -0.27 0.00 0.12 0.00 0.00 56.93 55.48 1xfs s PHE 71 Cb -0.12 -1.28 -0.09 0.00 -0.57 0.00 0.00 43.02 40.96 1xfs s PHE 71 CO 0.19 -0.83 1.24 -1.25 -0.10 0.00 0.00 175.22 174.46 1xfs s PRO 72 N 1.39 4.17 -0.03 0.24 0.04 -1.26 -4.46 135.00 135.08 1xfs s PRO 72 Ca 0.13 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1xfs s PRO 72 Cb -0.20 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.51 1xfs s PRO 72 CO -0.17 -0.28 -0.00 -0.80 0.04 0.00 0.00 177.00 175.79 1xfs s ASN 73 N -0.82 0.46 -0.04 6.66 -0.87 0.43 -4.99 114.94 115.77 1xfs s ASN 73 Ca 0.53 -0.04 0.06 0.00 -1.57 0.00 0.00 52.86 51.85 1xfs s ASN 73 Cb -0.35 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.25 40.62 1xfs s ASN 73 CO 0.46 -0.10 -0.23 -0.44 -2.57 0.00 0.00 177.10 174.22 1xfs s SER 74 N 1.00 2.84 0.19 -1.22 0.01 -1.26 -1.35 113.70 113.92 1xfs s SER 74 Ca -0.10 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.74 1xfs s SER 74 Cb -0.14 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 1xfs s SER 74 CO -0.02 0.25 0.16 0.61 0.41 0.00 0.00 173.24 174.65 1xfs n GLY 75 N 2.84 3.40 2.98 3.44 0.00 0.74 -4.78 105.19 113.81 1xfs n GLY 75 Ca -0.17 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1xfs n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfs s PHE 77 N 0.41 3.91 -0.06 0.00 0.08 -0.16 -0.87 117.98 121.28 1xfs s PHE 77 Ca -0.03 1.86 0.04 0.00 0.12 0.00 0.00 56.93 58.92 1xfs s PHE 77 Cb -0.04 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.40 1xfs s PHE 77 CO -0.02 0.40 -0.01 1.28 -0.10 0.00 0.00 175.22 176.78 1xfs n LEU 78 N 1.27 0.97 -3.77 -0.37 4.77 0.10 -0.23 117.00 119.75 1xfs n LEU 78 Ca -0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1xfs n LEU 78 Cb 0.48 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1xfs n LEU 78 CO 0.48 0.30 -0.11 -0.70 -1.33 0.00 0.00 177.39 176.03 1xfs s GLU 79 N -2.14 0.25 -0.27 3.23 2.12 -1.03 -4.68 118.70 116.18 1xfs s GLU 79 Ca -0.05 0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 1xfs s GLU 79 Cb 0.02 0.03 0.09 0.00 0.26 0.00 0.00 34.13 34.53 1xfs s GLU 79 CO 0.21 -0.09 0.09 0.08 -0.54 0.00 0.00 175.26 175.01 1xfs s VAL 80 N 0.58 0.53 -0.36 3.70 1.01 -1.26 -1.27 120.40 123.33 1xfs s VAL 80 Ca -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1xfs s VAL 80 Cb -0.05 -1.30 0.10 0.00 0.00 0.00 0.00 36.38 35.14 1xfs s VAL 80 CO -0.03 -0.54 0.10 -0.89 0.00 0.00 0.00 175.10 173.73 1xfs s THR 81 N 1.81 2.60 -0.33 3.92 2.01 -0.05 -5.01 115.64 120.58 1xfs s THR 81 Ca 0.06 -2.26 -0.31 0.00 0.31 0.00 0.00 61.69 59.50 1xfs s THR 81 Cb -0.17 -2.87 -0.13 0.00 0.01 0.00 0.00 72.50 69.34 1xfs s THR 81 CO -0.23 -0.63 1.21 -0.67 -0.69 0.00 0.00 174.62 173.61 1xfs n ASP 82 N 4.35 0.69 -1.68 3.53 2.03 -1.26 -0.71 116.55 123.51 1xfs n ASP 82 Ca 0.02 0.66 -0.17 0.00 0.52 0.00 0.00 54.79 55.82 1xfs n ASP 82 Cb 0.42 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 1xfs n ASP 82 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfs n GLU 83 N 3.58 -1.48 0.00 -0.67 1.02 -1.26 -4.72 120.64 117.10 1xfs n GLU 83 Ca 0.27 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 1xfs n GLU 83 Cb -0.03 -5.34 0.00 0.00 -0.02 0.00 0.00 31.44 26.05 1xfs n GLU 83 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xfs n LYS 84 N -2.28 0.00 -3.71 3.49 3.00 0.11 -4.70 118.16 114.07 1xfs n LYS 84 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.00 1xfs n LYS 84 Cb 0.57 -0.26 -0.10 0.00 0.00 0.00 0.00 35.03 35.25 1xfs n LYS 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1xfs s ARG 85 N -1.92 0.53 -0.04 1.64 3.52 -0.52 -1.06 118.95 121.10 1xfs s ARG 85 Ca 0.00 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1xfs s ARG 85 Cb 0.00 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1xfs s ARG 85 CO 0.00 -0.07 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.22 1xfs s LEU 86 N 0.30 1.23 -0.07 -0.88 2.96 -0.03 -0.88 118.68 121.32 1xfs s LEU 86 Ca -0.00 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1xfs s LEU 86 Cb -0.03 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.28 1xfs s LEU 86 CO -0.00 -0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.23 1xfs s ILE 87 N 1.03 0.93 0.10 6.68 1.01 -0.39 -0.61 121.20 129.95 1xfs s ILE 87 Ca -0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1xfs s ILE 87 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1xfs s ILE 87 CO -0.01 0.32 0.01 -1.66 0.00 0.00 0.00 174.94 173.60 1xfs s TRP 88 N 0.90 0.74 0.03 3.97 1.48 -0.75 0.03 118.94 125.33 1xfs s TRP 88 Ca -0.11 -1.13 -0.04 0.00 -1.06 0.00 0.00 56.10 53.77 1xfs s TRP 88 Cb -0.15 -0.46 -0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1xfs s TRP 88 CO 0.01 -0.42 0.05 -0.08 -4.06 0.00 0.00 176.95 172.45 1xfs s THR 89 N -3.94 0.14 -2.05 0.66 -1.32 -0.05 -0.22 115.64 108.86 1xfs s THR 89 Ca 0.16 -1.14 0.18 0.00 -1.21 0.00 0.00 61.69 59.68 1xfs s THR 89 Cb 0.07 -0.82 0.28 0.00 -1.51 0.00 0.00 72.50 70.53 1xfs s THR 89 CO -0.04 -0.63 1.21 -1.54 -2.21 0.00 0.00 174.62 171.42 1xfs n SER 90 N 0.90 2.91 0.03 8.08 3.41 -1.26 -1.04 113.62 126.65 1xfs n SER 90 Ca -0.20 -1.86 0.13 0.00 -0.26 0.00 0.00 58.87 56.69 1xfs n SER 90 Cb 0.58 -0.14 0.40 0.00 -0.26 0.00 0.00 64.21 64.79 1xfs n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xfs n ALA 91 N 1.10 2.72 -2.39 7.33 0.00 -1.26 -4.76 120.51 123.25 1xfs n ALA 91 Ca 0.14 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1xfs n ALA 91 Cb 0.49 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1xfs n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xfs s LEU 92 N -3.56 2.44 0.00 0.00 1.43 -1.26 -1.34 118.68 116.38 1xfs s LEU 92 Ca 0.11 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1xfs s LEU 92 Cb 0.16 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.21 1xfs s LEU 92 CO 0.62 -0.35 0.00 1.33 0.23 0.00 0.00 176.35 178.18 1xfs n VAL 93 N 0.39 0.00 -1.46 -1.59 0.24 0.71 -2.82 118.33 113.81 1xfs n VAL 93 Ca -0.15 0.00 -0.54 0.00 -2.04 0.00 0.00 64.34 61.61 1xfs n VAL 93 Cb 0.59 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 1xfs n VAL 93 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xfs n LYS 94 N 0.00 0.01 -2.04 7.34 4.81 -1.25 -1.60 118.16 125.43 1xfs n LYS 94 Ca 0.00 0.01 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1xfs n LYS 94 Cb 0.00 -1.28 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 1xfs n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xfs n ASN 95 N 1.73 -5.06 -0.65 3.14 3.02 0.18 -2.83 115.26 114.79 1xfs n ASN 95 Ca 0.19 0.14 -0.08 0.00 -0.03 0.00 0.00 54.58 54.79 1xfs n ASN 95 Cb 0.16 -4.13 -0.04 0.00 -0.61 0.00 0.00 39.78 35.16 1xfs n ASN 95 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xfs n TYR 96 N -3.49 0.00 -2.22 3.10 4.01 -0.63 -4.99 117.16 112.93 1xfs n TYR 96 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.14 1xfs n TYR 96 Cb 0.62 -1.83 -0.03 0.00 -0.31 0.00 0.00 39.34 37.80 1xfs n TYR 96 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1xfs s ARG 97 N -2.49 4.41 0.38 -0.72 3.52 -1.10 -4.75 118.95 118.21 1xfs s ARG 97 Ca 0.00 2.07 -0.28 0.00 -0.13 0.00 0.00 55.73 57.39 1xfs s ARG 97 Cb 0.00 -3.16 -0.11 0.00 -1.56 0.00 0.00 34.95 30.12 1xfs s ARG 97 CO 0.00 -0.17 1.49 -2.30 -0.81 0.00 0.00 175.30 173.51 1xfs n PRO 98 N 1.91 2.67 -1.36 5.12 -0.02 -1.26 -0.21 135.00 141.84 1xfs n PRO 98 Ca 0.03 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 1xfs n PRO 98 Cb 0.43 -2.67 0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1xfs n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfs s ALA 99 N -1.12 2.28 0.06 3.55 0.00 -0.45 -4.68 121.76 121.40 1xfs s ALA 99 Ca 0.54 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 1xfs s ALA 99 Cb -0.47 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.30 1xfs s ALA 99 CO 0.64 -1.69 1.25 0.08 0.00 0.00 0.00 175.76 176.04 1xfs s VAL 100 N -2.75 3.87 -0.42 0.00 1.01 -1.26 -4.99 120.40 115.87 1xfs s VAL 100 Ca 0.63 1.33 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 1xfs s VAL 100 Cb -0.18 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1xfs s VAL 100 CO 0.52 0.09 1.52 -2.16 0.00 0.00 0.00 175.10 175.07 1xfs s PRO 101 N 1.26 3.46 -0.45 2.72 0.04 -1.26 -5.15 135.00 135.62 1xfs s PRO 101 Ca 0.60 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 1xfs s PRO 101 Cb -0.31 -4.09 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 1xfs s PRO 101 CO 0.29 -1.71 2.01 0.42 0.04 0.00 0.00 177.00 178.04 1xfs s ILE 112 N 5.97 3.27 0.58 0.56 -1.09 -1.26 -5.29 121.20 123.94 1xfs s ILE 112 Ca 0.65 0.22 -0.18 0.00 -2.23 0.00 0.00 60.65 59.12 1xfs s ILE 112 Cb -0.15 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1xfs s ILE 112 CO 0.32 -0.44 1.10 -0.69 -1.23 0.00 0.00 174.94 173.99 1xfs s VAL 113 N 9.04 3.40 -0.06 2.92 1.01 -1.26 -4.98 120.40 130.47 1xfs s VAL 113 Ca 0.82 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1xfs s VAL 113 Cb -0.19 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1xfs s VAL 113 CO 0.28 -0.29 0.13 -0.89 0.00 0.00 0.00 175.10 174.32 1xfs s THR 115 N -2.10 -0.12 -0.18 3.92 2.01 -1.26 -4.57 115.64 113.34 1xfs s THR 115 Ca 0.69 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.87 1xfs s THR 115 Cb -0.20 -0.23 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1xfs s THR 115 CO 0.32 0.11 0.08 0.00 -0.69 0.00 0.00 174.62 174.43 1xfs s ALA 116 N 1.57 3.49 -0.18 7.40 0.00 0.69 -4.30 121.76 130.42 1xfs s ALA 116 Ca -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1xfs s ALA 116 Cb -0.12 -1.95 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1xfs s ALA 116 CO -0.05 0.23 -0.16 0.08 0.00 0.00 0.00 175.76 175.86 1xfs s VAL 117 N 0.20 1.84 -0.13 0.00 1.01 -0.20 -1.82 120.40 121.30 1xfs s VAL 117 Ca 0.05 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1xfs s VAL 117 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1xfs s VAL 117 CO 0.00 0.41 -0.21 -0.63 0.00 0.00 0.00 175.10 174.67 1xfs s ILE 118 N 1.36 2.20 -0.03 2.22 1.01 0.22 -0.30 121.20 127.88 1xfs s ILE 118 Ca 0.03 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1xfs s ILE 118 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1xfs s ILE 118 CO -0.11 0.55 -0.22 -1.61 0.00 0.00 0.00 174.94 173.55 1xfs s GLU 119 N 0.67 1.90 0.01 2.79 2.02 0.75 -0.85 118.70 125.99 1xfs s GLU 119 Ca -0.10 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.18 1xfs s GLU 119 Cb -0.16 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1xfs s GLU 119 CO 0.02 0.43 -0.22 -0.51 0.02 0.00 0.00 175.26 174.99 1xfs s LEU 120 N -0.38 2.35 -0.09 1.80 1.43 -0.22 -1.50 118.68 122.07 1xfs s LEU 120 Ca 0.05 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1xfs s LEU 120 Cb -0.10 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1xfs s LEU 120 CO 0.00 0.29 0.07 -1.58 0.23 0.00 0.00 176.35 175.36 1xfs s GLN 121 N -1.04 0.02 0.37 1.70 2.00 -0.59 -4.70 119.66 117.42 1xfs s GLN 121 Ca 0.12 0.18 -0.28 0.00 -2.00 0.00 0.00 55.36 53.38 1xfs s GLN 121 Cb -0.10 -1.05 -0.10 0.00 0.80 0.00 0.00 33.01 32.55 1xfs s GLN 121 CO 0.02 -0.46 1.39 -2.14 -0.50 0.00 0.00 175.29 173.60 1xfs s PRO 122 N 2.14 4.15 0.49 1.67 0.02 -1.26 0.25 135.00 142.46 1xfs s PRO 122 Ca 0.04 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1xfs s PRO 122 Cb -0.14 -2.96 -0.02 0.00 0.02 0.00 0.00 34.50 31.41 1xfs s PRO 122 CO -0.05 -0.42 0.02 0.95 -0.33 0.00 0.00 177.00 177.17 1xfs s THR 123 N -1.15 1.14 0.32 0.99 -4.23 0.69 -4.82 115.64 108.59 1xfs s THR 123 Ca 0.52 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 1xfs s THR 123 Cb -0.43 -2.26 0.09 0.00 1.34 0.00 0.00 72.50 71.24 1xfs s THR 123 CO 0.57 0.00 1.78 0.77 -0.54 0.00 0.00 174.62 177.21 1xfs h SER 124 N 1.46 0.30 0.00 3.99 4.64 -2.01 -3.24 113.55 118.68 1xfs h SER 124 Ca -0.43 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 60.74 1xfs h SER 124 Cb 1.30 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1xfs h SER 124 CO 0.72 0.57 -2.00 -1.54 -0.87 0.00 0.00 176.83 173.71 1xfs n SER 125 N -4.14 0.31 0.00 4.97 3.41 -1.26 -5.08 113.62 111.83 1xfs n SER 125 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1xfs n SER 125 Cb 0.38 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 1xfs n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfs n GLY 126 N 1.42 1.51 2.83 5.00 0.00 -1.23 -4.32 105.19 110.40 1xfs n GLY 126 Ca -0.08 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1xfs n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfs s THR 127 N 1.69 0.21 -0.19 2.61 2.01 0.53 -0.22 115.64 122.27 1xfs s THR 127 Ca 0.00 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 1xfs s THR 127 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1xfs s THR 127 CO 0.00 0.14 0.90 -0.60 -0.69 0.00 0.00 174.62 174.37 1xfs s ARG 128 N 0.92 4.28 -0.27 4.92 3.52 0.14 -1.16 118.95 131.30 1xfs s ARG 128 Ca -0.10 1.12 -0.07 0.00 -0.13 0.00 0.00 55.73 56.55 1xfs s ARG 128 Cb -0.13 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.65 1xfs s ARG 128 CO -0.01 -0.43 0.07 -0.47 -0.81 0.00 0.00 175.30 173.65 1xfs s TYR 129 N 2.50 3.10 -0.18 5.12 5.04 0.45 -1.54 117.35 131.84 1xfs s TYR 129 Ca 0.40 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1xfs s TYR 129 Cb -0.16 -2.24 0.04 0.00 0.35 0.00 0.00 41.96 39.94 1xfs s TYR 129 CO 0.11 -0.46 -0.09 0.99 -1.34 0.00 0.00 175.55 174.75 1xfs s THR 130 N 1.56 1.47 -0.02 4.34 2.01 -0.56 -1.06 115.64 123.38 1xfs s THR 130 Ca 0.05 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1xfs s THR 130 Cb -0.16 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1xfs s THR 130 CO 0.03 0.20 -0.19 0.00 -0.69 0.00 0.00 174.62 173.97 1xfs s ALA 131 N 1.48 1.61 -0.02 7.40 0.00 -0.12 -0.18 121.76 131.93 1xfs s ALA 131 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1xfs s ALA 131 Cb -0.15 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1xfs s ALA 131 CO -0.08 0.39 -0.17 0.00 0.00 0.00 0.00 175.76 175.89 1xfs n ALA 133 N 2.73 0.54 -3.65 0.00 0.00 0.15 -1.03 120.51 119.24 1xfs n ALA 133 Ca -0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 53.44 51.63 1xfs n ALA 133 Cb 0.54 0.74 -0.01 0.00 0.00 0.00 0.00 19.45 20.72 1xfs n ALA 133 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xfs s HIS 135 N -2.10 -0.11 0.01 0.00 3.76 -0.61 -1.49 115.29 114.75 1xfs s HIS 135 Ca 0.16 -0.06 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 1xfs s HIS 135 Cb -0.01 0.58 -0.24 0.00 1.11 0.00 0.00 32.58 34.01 1xfs s HIS 135 CO 0.10 -0.49 0.88 -2.95 -0.85 0.00 0.00 174.74 171.44 1xfs h ASN 136 N 2.00 0.15 -5.21 1.40 7.08 -1.85 -3.46 115.58 115.68 1xfs h ASN 136 Ca -0.25 -0.22 -0.12 0.00 -3.08 0.00 0.00 56.30 52.64 1xfs h ASN 136 Cb 1.21 -0.05 -0.15 0.00 -2.08 0.00 0.00 38.32 37.25 1xfs h ASN 136 CO 0.27 1.19 -0.61 0.42 -2.08 0.00 0.00 177.43 176.61 1xfs s THR 137 N -2.63 0.20 0.27 6.14 -4.23 -1.26 -5.05 115.64 109.08 1xfs s THR 137 Ca -0.05 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1xfs s THR 137 Cb 0.08 -1.40 0.27 0.00 1.34 0.00 0.00 72.50 72.79 1xfs s THR 137 CO 0.83 -0.89 1.92 -0.65 -0.54 0.00 0.00 174.62 175.29 1xfs h PRO 138 N 3.16 1.17 -0.61 3.99 0.11 -1.93 -1.66 132.00 136.23 1xfs h PRO 138 Ca -0.34 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.74 1xfs h PRO 138 Cb 1.16 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 1xfs h PRO 138 CO 0.62 0.78 0.35 0.78 -0.21 0.00 0.00 178.00 180.32 1xfs h GLY 139 N 1.21 0.87 1.30 -0.55 0.00 -1.97 0.60 103.07 104.54 1xfs h GLY 139 Ca 0.38 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1xfs h GLY 139 CO -0.11 0.19 -0.16 1.46 0.00 0.00 0.00 176.54 177.91 1xfs h GLN 140 N 0.67 0.81 -0.46 4.80 1.08 -1.85 -1.82 115.11 118.35 1xfs h GLN 140 Ca 0.26 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1xfs h GLN 140 Cb 0.10 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1xfs h GLN 140 CO -0.14 0.92 0.21 -0.09 -0.95 0.00 0.00 178.83 178.78 1xfs h ARG 141 N 0.72 0.68 -0.54 1.46 1.12 -0.51 -1.41 114.38 115.91 1xfs h ARG 141 Ca 0.11 -0.11 -0.04 0.00 -1.11 0.00 0.00 59.98 58.83 1xfs h ARG 141 Cb 0.67 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.49 1xfs h ARG 141 CO 0.05 0.59 0.18 0.87 -3.11 0.00 0.00 179.97 178.55 1xfs h LYS 142 N 0.61 0.83 -0.56 0.20 1.57 -0.72 -1.47 116.57 117.03 1xfs h LYS 142 Ca 0.16 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1xfs h LYS 142 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1xfs h LYS 142 CO -0.02 0.75 0.13 -0.07 -0.57 0.00 0.00 179.45 179.68 1xfs h LEU 143 N 0.74 0.81 -0.23 2.94 3.38 -1.17 -1.74 115.31 120.04 1xfs h LEU 143 Ca 0.18 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1xfs h LEU 143 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xfs h LEU 143 CO -0.01 0.79 -0.44 -0.74 0.09 0.00 0.00 178.44 178.13 1xfs h HIS 144 N 0.83 0.89 -0.64 1.13 2.76 -1.04 -3.23 115.15 115.84 1xfs h HIS 144 Ca 0.18 -0.32 -0.08 0.00 -2.20 0.00 0.00 60.37 57.95 1xfs h HIS 144 Cb 0.31 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 1xfs h HIS 144 CO 0.02 1.10 0.08 1.49 -1.30 0.00 0.00 177.93 179.32 1xfs h GLU 145 N 0.43 1.07 -0.23 5.26 4.81 -1.13 0.65 114.58 125.43 1xfs h GLU 145 Ca 0.01 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xfs h GLU 145 Cb 1.05 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1xfs h GLU 145 CO 0.10 0.99 0.00 -1.91 -0.73 0.00 0.00 179.01 177.46 1xfs n GLU 146 N -4.21 0.35 0.00 1.92 2.13 -0.67 -1.88 120.64 118.29 1xfs n GLU 146 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1xfs n GLU 146 Cb 0.30 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.89 1xfs n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xfs n GLY 148 N 0.16 0.00 0.23 8.31 0.00 0.22 -1.26 105.19 112.85 1xfs n GLY 148 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1xfs n GLY 148 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xfs h PHE 149 N 0.00 0.99 0.00 1.61 3.04 -1.61 0.35 116.94 121.31 1xfs h PHE 149 Ca 0.00 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1xfs h PHE 149 Cb 0.00 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1xfs h PHE 149 CO 0.00 1.21 0.00 0.72 -2.02 0.00 0.00 178.31 178.22 1xfs n HIS 150 N -3.95 0.00 0.00 0.41 8.25 -0.39 -5.07 115.22 114.47 1xfs n HIS 150 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1xfs n HIS 150 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1xfs n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfs n GLY 152 N -0.51 0.65 0.36 -1.41 0.00 0.12 -5.24 105.19 99.17 1xfs n GLY 152 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1xfs n GLY 152 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xfs h TRP 153 N 0.00 1.07 0.02 1.61 7.01 -1.98 0.42 115.95 124.11 1xfs h TRP 153 Ca 0.00 0.03 -0.21 0.00 2.11 0.00 0.00 58.89 60.81 1xfs h TRP 153 Cb 0.00 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.69 1xfs h TRP 153 CO 0.00 0.61 -0.95 0.78 -2.79 0.00 0.00 178.44 176.09 1xfs h GLY 154 N 1.10 0.23 1.07 2.65 0.00 -2.01 -3.22 103.07 102.90 1xfs h GLY 154 Ca 0.36 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1xfs h GLY 154 CO -0.12 0.40 0.08 -0.84 0.00 0.00 0.00 176.54 176.06 1xfs h THR 155 N 0.10 1.26 -0.36 4.70 2.02 -1.70 -2.68 112.91 116.26 1xfs h THR 155 Ca -0.06 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1xfs h THR 155 Cb 1.61 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1xfs h THR 155 CO 0.15 0.40 0.03 0.71 0.37 0.00 0.00 175.52 177.18 1xfs h THR 156 N 1.02 1.19 -0.36 3.16 1.35 -1.01 -2.06 112.91 116.22 1xfs h THR 156 Ca 0.20 -0.73 -0.12 0.00 -0.55 0.00 0.00 66.41 65.20 1xfs h THR 156 Cb 0.48 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1xfs h THR 156 CO 0.02 0.26 -0.26 0.40 -0.25 0.00 0.00 175.52 175.69 1xfs h ILE 157 N 0.53 1.27 -0.66 6.82 1.08 -1.51 -0.70 117.51 124.35 1xfs h ILE 157 Ca 0.12 -1.37 -0.07 0.00 -0.39 0.00 0.00 64.86 63.15 1xfs h ILE 157 Cb 0.29 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 1xfs h ILE 157 CO 0.01 0.45 0.14 0.74 -0.69 0.00 0.00 178.15 178.80 1xfs h THR 158 N 0.63 1.26 -0.56 -0.27 2.02 -1.11 -1.51 112.91 113.36 1xfs h THR 158 Ca 0.08 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.22 1xfs h THR 158 Cb 0.76 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1xfs h THR 158 CO 0.06 0.37 0.09 1.56 0.37 0.00 0.00 175.52 177.98 1xfs h GLN 159 N 0.99 0.90 0.16 6.66 4.20 -1.06 -2.29 115.11 124.66 1xfs h GLN 159 Ca 0.20 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1xfs h GLN 159 Cb 0.40 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1xfs h GLN 159 CO 0.01 0.83 -0.08 1.25 -0.67 0.00 0.00 178.83 180.17 1xfs h LEU 160 N 0.85 -0.18 -0.43 1.46 5.85 -0.60 -1.13 115.31 121.13 1xfs h LEU 160 Ca 0.18 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1xfs h LEU 160 Cb 0.37 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1xfs h LEU 160 CO 0.01 -0.03 0.18 -0.08 -0.34 0.00 0.00 178.44 178.18 1xfs h GLU 161 N -0.32 0.36 -0.70 1.25 4.81 -1.17 -0.33 114.58 118.48 1xfs h GLU 161 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1xfs h GLU 161 Cb 0.25 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xfs h GLU 161 CO 0.04 0.24 0.30 1.49 -0.73 0.00 0.00 179.01 180.34 1xfs h GLU 162 N 0.37 1.02 -0.23 1.92 4.57 -1.34 -2.01 114.58 118.86 1xfs h GLU 162 Ca 0.20 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1xfs h GLU 162 Cb 0.15 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1xfs h GLU 162 CO -0.17 0.81 0.03 1.25 -1.18 0.00 0.00 179.01 179.74 1xfs h LEU 163 N 1.00 0.38 -1.73 1.64 5.85 -0.45 -2.93 115.31 119.07 1xfs h LEU 163 Ca 0.24 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1xfs h LEU 163 Cb 0.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1xfs h LEU 163 CO -0.02 0.56 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.39 1xfs h LEU 164 N 0.19 0.00 -1.50 2.25 3.38 -0.88 -1.58 115.31 117.17 1xfs h LEU 164 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xfs h LEU 164 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xfs h LEU 164 CO 0.01 0.17 -0.02 0.11 0.09 0.00 0.00 178.44 178.80 1xfs h LYS 165 N 0.00 0.00 0.00 1.13 1.57 -1.17 -2.07 116.57 116.03 1xfs h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xfs h LYS 165 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1xfs h LYS 165 CO 0.02 0.02 -0.38 1.04 -0.57 0.00 0.00 179.45 179.58 1xfs n GLN 166 N -3.12 0.14 0.22 3.15 1.13 -0.60 -3.96 117.38 114.34 1xfs n GLN 166 Ca 0.00 0.06 0.16 0.00 -1.94 0.00 0.00 57.00 55.29 1xfs n GLN 166 Cb 0.30 -1.61 0.84 0.00 0.11 0.00 0.00 30.24 29.88 1xfs n GLN 166 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1xfs h GLU 167 N 0.00 0.00 -0.00 -1.09 4.39 -1.35 -3.52 114.58 113.00 1xfs h GLU 167 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xfs h GLU 167 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1xfs h GLU 167 CO 0.00 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 178.21