#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc h PRO 2 N 0.00 0.00 0.00 1.61 0.13 -2.11 -3.41 132.00 128.22 1xsc h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xsc h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xsc h PRO 2 CO 0.00 0.31 0.00 1.28 -0.23 0.00 0.00 178.00 179.36 1xsc n LEU 3 N -3.45 0.01 0.00 1.56 4.77 -1.26 -5.13 117.00 113.50 1xsc n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xsc n LEU 3 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xsc n LEU 3 CO 0.35 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 1xsc n GLY 4 N 3.12 0.69 3.75 -0.72 0.00 -1.26 -5.11 105.19 105.67 1xsc n GLY 4 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1xsc n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsc s SER 5 N -4.00 6.93 -0.13 1.61 0.15 -1.26 -5.00 113.70 112.00 1xsc s SER 5 Ca 0.00 2.47 -0.19 0.00 0.70 0.00 0.00 55.95 58.93 1xsc s SER 5 Cb 0.00 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1xsc s SER 5 CO 0.00 -0.44 0.52 -0.04 1.20 0.00 0.00 173.24 174.48 1xsc s MET 6 N -1.01 4.31 0.04 5.44 -1.94 -1.26 -4.92 119.30 119.96 1xsc s MET 6 Ca 0.51 0.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.00 1xsc s MET 6 Cb -0.37 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.00 1xsc s MET 6 CO 0.44 0.05 0.00 0.00 -0.01 0.00 0.00 175.02 175.51 1xsc n ALA 7 N 4.02 -0.28 -2.89 3.03 0.00 -1.26 -4.94 120.51 118.19 1xsc n ALA 7 Ca -0.05 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1xsc n ALA 7 Cb 0.51 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 1xsc n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsc s LEU 8 N -4.79 3.31 -0.05 0.00 1.02 0.23 -4.97 118.68 113.43 1xsc s LEU 8 Ca 0.00 -0.08 -0.28 0.00 0.02 0.00 0.00 54.13 53.79 1xsc s LEU 8 Cb 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 1xsc s LEU 8 CO 0.00 0.20 0.91 -0.13 0.02 0.00 0.00 176.35 177.35 1xsc s ARG 9 N 0.16 4.48 0.05 1.70 0.52 -1.26 -0.56 118.95 124.04 1xsc s ARG 9 Ca -0.01 1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 56.41 1xsc s ARG 9 Cb -0.14 -3.49 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 1xsc s ARG 9 CO 0.03 -0.11 0.08 0.00 0.02 0.00 0.00 175.30 175.31 1xsc s ALA 10 N 1.30 0.03 -0.15 2.13 0.00 0.79 0.25 121.76 126.10 1xsc s ALA 10 Ca 0.47 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 1xsc s ALA 10 Cb -0.19 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1xsc s ALA 10 CO 0.22 -0.35 0.34 0.00 0.00 0.00 0.00 175.76 175.97 1xsc s GLY 12 N 2.03 2.37 -0.20 0.00 0.00 0.15 -0.87 107.32 110.79 1xsc s GLY 12 Ca -0.04 -2.18 0.01 0.00 0.00 0.00 0.00 44.72 42.51 1xsc s GLY 12 CO -0.11 -2.01 -0.16 1.08 0.00 0.00 0.00 173.10 171.91 1xsc s LEU 13 N -3.77 2.53 -0.93 0.66 1.43 -1.21 -2.62 118.68 114.77 1xsc s LEU 13 Ca 0.37 -0.79 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1xsc s LEU 13 Cb 0.06 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.81 1xsc s LEU 13 CO 0.20 -0.05 1.33 -0.63 0.23 0.00 0.00 176.35 177.43 1xsc s ILE 14 N 1.27 4.05 0.23 -0.59 1.01 0.32 -4.44 121.20 123.06 1xsc s ILE 14 Ca 0.02 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1xsc s ILE 14 Cb -0.15 -4.96 -0.08 0.00 0.01 0.00 0.00 42.46 37.28 1xsc s ILE 14 CO -0.10 -1.82 0.70 -0.63 0.00 0.00 0.00 174.94 173.09 1xsc s ILE 15 N 4.65 4.63 -0.17 2.92 1.01 -1.25 0.20 121.20 133.19 1xsc s ILE 15 Ca 0.40 1.16 -0.07 0.00 0.00 0.00 0.00 60.65 62.14 1xsc s ILE 15 Cb -0.03 -3.80 0.07 0.00 0.01 0.00 0.00 42.46 38.71 1xsc s ILE 15 CO -0.04 0.14 0.38 0.72 0.00 0.00 0.00 174.94 176.14 1xsc s PHE 16 N -1.60 -0.65 -0.41 3.97 -0.71 0.83 -1.20 117.98 118.21 1xsc s PHE 16 Ca 0.44 1.33 -0.27 0.00 -1.04 0.00 0.00 56.93 57.38 1xsc s PHE 16 Cb -0.15 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 41.91 1xsc s PHE 16 CO 0.20 -0.41 1.03 0.50 -1.34 0.00 0.00 175.22 175.20 1xsc s ARG 17 N 2.13 3.79 -0.26 1.99 3.00 0.23 -3.89 118.95 125.94 1xsc s ARG 17 Ca -0.04 0.59 -0.09 0.00 -1.00 0.00 0.00 55.73 55.20 1xsc s ARG 17 Cb -0.11 -3.85 -0.04 0.00 0.00 0.00 0.00 34.95 30.96 1xsc s ARG 17 CO -0.12 -1.14 0.11 0.50 0.00 0.00 0.00 175.30 174.66 1xsc s ARG 18 N 3.89 3.77 0.49 5.12 3.52 -1.26 -2.57 118.95 131.91 1xsc s ARG 18 Ca 0.43 -0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.54 1xsc s ARG 18 Cb -0.10 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1xsc s ARG 18 CO 0.24 -0.18 0.81 0.00 -0.81 0.00 0.00 175.30 175.36 1xsc n LEU 20 N -2.18 0.12 -4.68 0.00 7.94 -1.26 -4.85 117.00 112.10 1xsc n LEU 20 Ca 0.01 0.45 -0.30 0.00 -1.11 0.00 0.00 56.01 55.06 1xsc n LEU 20 Cb 0.55 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.42 1xsc n LEU 20 CO 0.53 0.00 -0.34 0.27 -1.11 0.00 0.00 177.39 176.74 1xsc s ILE 21 N -0.90 3.97 0.63 1.96 -5.25 -1.26 -5.11 121.20 115.25 1xsc s ILE 21 Ca 0.00 -0.99 -0.17 0.00 -0.99 0.00 0.00 60.65 58.50 1xsc s ILE 21 Cb 0.00 -2.89 -0.01 0.00 2.95 0.00 0.00 42.46 42.51 1xsc s ILE 21 CO 0.00 0.13 1.16 -2.84 -1.79 0.00 0.00 174.94 171.60 1xsc s PRO 22 N -2.27 2.84 0.00 0.37 0.02 -1.26 -5.02 135.00 129.68 1xsc s PRO 22 Ca 0.25 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.89 1xsc s PRO 22 Cb -0.12 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1xsc s PRO 22 CO 0.18 -1.26 0.00 1.63 -0.33 0.00 0.00 177.00 177.22 1xsc n LYS 23 N -2.02 0.00 0.00 5.54 4.01 -1.26 -4.82 118.16 119.61 1xsc n LYS 23 Ca 0.12 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.04 1xsc n LYS 23 Cb 0.51 -0.12 0.08 0.00 -0.51 0.00 0.00 35.03 34.99 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsc n VAL 24 N -1.77 0.00 -3.39 -0.18 0.31 -1.26 -4.97 118.33 107.08 1xsc n VAL 24 Ca 0.00 -0.41 -0.19 0.00 -0.01 0.00 0.00 64.34 63.73 1xsc n VAL 24 Cb 0.00 1.38 0.07 0.00 -0.91 0.00 0.00 33.84 34.38 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N 0.85 -5.33 -0.09 4.52 2.03 -1.26 -4.93 116.55 112.35 1xsc n ASP 25 Ca 0.13 -0.45 -0.16 0.00 0.52 0.00 0.00 54.79 54.82 1xsc n ASP 25 Cb 0.55 -4.24 -0.07 0.00 -0.72 0.00 0.00 41.12 36.63 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xsc n ASN 26 N -2.27 1.84 -3.49 1.67 0.23 -1.26 -5.02 115.26 106.97 1xsc n ASN 26 Ca -0.01 0.10 0.01 0.00 -0.53 0.00 0.00 54.58 54.14 1xsc n ASN 26 Cb 0.56 -0.43 -0.03 0.00 -2.08 0.00 0.00 39.78 37.80 1xsc n ASN 26 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1xsc s ASN 27 N -6.24 -1.19 -0.22 0.53 2.20 -1.26 -5.06 114.94 103.70 1xsc s ASN 27 Ca -0.24 1.33 -0.18 0.00 -0.94 0.00 0.00 52.86 52.82 1xsc s ASN 27 Cb 0.08 2.23 -0.15 0.00 -2.00 0.00 0.00 41.25 41.41 1xsc s ASN 27 CO 0.35 -0.23 0.02 0.00 -2.94 0.00 0.00 177.10 174.30 1xsc n ALA 28 N 5.43 0.85 -2.83 3.54 0.00 -1.26 -4.96 120.51 121.27 1xsc n ALA 28 Ca -0.09 -0.64 -0.33 0.00 0.00 0.00 0.00 53.44 52.39 1xsc n ALA 28 Cb 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 1xsc n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsc s ILE 29 N -2.40 5.35 -0.04 0.00 1.01 -1.26 -3.75 121.20 120.11 1xsc s ILE 29 Ca -0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1xsc s ILE 29 Cb 0.08 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.99 1xsc s ILE 29 CO 0.52 0.25 0.03 -1.61 0.00 0.00 0.00 174.94 174.13 1xsc s GLU 30 N -2.14 0.11 0.21 2.79 2.02 -1.06 -4.43 118.70 116.20 1xsc s GLU 30 Ca 0.31 0.23 -0.14 0.00 0.02 0.00 0.00 54.97 55.39 1xsc s GLU 30 Cb -0.13 -0.50 -0.08 0.00 0.10 0.00 0.00 34.13 33.53 1xsc s GLU 30 CO 0.21 -0.24 0.62 -0.06 0.02 0.00 0.00 175.26 175.80 1xsc s PHE 31 N 1.62 3.52 -0.01 1.61 0.08 0.30 0.74 117.98 125.84 1xsc s PHE 31 Ca -0.02 1.10 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 1xsc s PHE 31 Cb -0.13 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1xsc s PHE 31 CO -0.03 0.31 0.72 -1.17 -0.10 0.00 0.00 175.22 174.95 1xsc s LEU 32 N -2.37 4.39 0.02 -0.37 2.96 -0.34 -2.27 118.68 120.70 1xsc s LEU 32 Ca 0.44 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.70 1xsc s LEU 32 Cb -0.13 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 1xsc s LEU 32 CO 0.20 -0.04 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.33 1xsc s LEU 33 N 0.31 2.13 -0.27 -0.68 1.43 0.49 -4.25 118.68 117.83 1xsc s LEU 33 Ca 0.38 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1xsc s LEU 33 Cb -0.19 -0.42 0.07 0.00 0.03 0.00 0.00 46.19 45.68 1xsc s LEU 33 CO 0.20 0.00 -0.03 -0.76 0.23 0.00 0.00 176.35 175.99 1xsc s LEU 34 N -0.88 3.31 0.36 1.79 1.43 -0.59 0.68 118.68 124.79 1xsc s LEU 34 Ca -0.01 -1.51 -0.28 0.00 -1.03 0.00 0.00 54.13 51.30 1xsc s LEU 34 Cb -0.06 -1.36 -0.11 0.00 0.03 0.00 0.00 46.19 44.68 1xsc s LEU 34 CO 0.00 -0.27 1.52 -1.58 0.23 0.00 0.00 176.35 176.25 1xsc s GLN 35 N 1.22 4.09 0.22 1.70 0.74 0.26 -1.60 119.66 126.29 1xsc s GLN 35 Ca -0.01 2.60 -0.30 0.00 0.05 0.00 0.00 55.36 57.70 1xsc s GLN 35 Cb -0.19 -2.97 -0.09 0.00 1.10 0.00 0.00 33.01 30.86 1xsc s GLN 35 CO -0.08 -0.58 1.30 0.00 -0.55 0.00 0.00 175.29 175.39 1xsc s ALA 36 N -0.90 3.52 -0.87 1.58 0.00 0.27 -2.45 121.76 122.90 1xsc s ALA 36 Ca 0.55 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1xsc s ALA 36 Cb -0.47 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.21 1xsc s ALA 36 CO 0.61 -0.54 0.61 -1.13 0.00 0.00 0.00 175.76 175.31 1xsc n SER 37 N 2.29 1.41 -1.92 0.00 3.41 -1.26 -4.60 113.62 112.95 1xsc n SER 37 Ca 0.05 -2.05 0.01 0.00 -0.26 0.00 0.00 58.87 56.62 1xsc n SER 37 Cb 0.43 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1xsc n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsc n ASP 38 N 0.07 -0.32 0.00 4.04 5.68 -1.26 -4.90 116.55 119.85 1xsc n ASP 38 Ca 0.02 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1xsc n ASP 38 Cb 0.32 0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsc n GLY 39 N -0.30 0.92 0.52 6.12 0.00 -1.26 -3.02 105.19 108.17 1xsc n GLY 39 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1xsc n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsc n ILE 40 N 0.00 0.38 -3.10 -0.61 -5.35 -1.26 -4.88 119.36 104.55 1xsc n ILE 40 Ca 0.00 -0.38 -0.16 0.00 -0.27 0.00 0.00 62.75 61.94 1xsc n ILE 40 Cb 0.00 0.19 0.04 0.00 -1.74 0.00 0.00 39.64 38.13 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsc n HIS 41 N 0.33 -1.77 -2.94 4.28 8.25 -1.17 -5.00 115.22 117.21 1xsc n HIS 41 Ca 0.09 0.58 -0.31 0.00 -0.26 0.00 0.00 57.72 57.83 1xsc n HIS 41 Cb 0.24 -3.63 -0.04 0.00 1.12 0.00 0.00 29.99 27.67 1xsc n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsc s HIS 42 N -3.14 3.43 0.20 4.41 -3.43 -1.26 -4.69 115.29 110.81 1xsc s HIS 42 Ca 0.34 1.12 0.04 0.00 -0.80 0.00 0.00 55.06 55.76 1xsc s HIS 42 Cb -0.15 -2.49 -0.03 0.00 -1.43 0.00 0.00 32.58 28.48 1xsc s HIS 42 CO 0.42 -0.04 0.33 -1.58 -2.00 0.00 0.00 174.74 171.86 1xsc s TRP 43 N -2.24 3.46 -0.29 0.38 0.52 -1.23 0.94 118.94 120.48 1xsc s TRP 43 Ca 0.53 0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.51 1xsc s TRP 43 Cb -0.10 -1.61 0.17 0.00 -1.15 0.00 0.00 33.47 30.78 1xsc s TRP 43 CO 0.26 0.47 1.10 0.95 0.02 0.00 0.00 176.95 179.75 1xsc s THR 44 N -1.88 0.00 1.10 2.01 -4.23 -0.63 -4.48 115.64 107.53 1xsc s THR 44 Ca 0.34 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 60.66 1xsc s THR 44 Cb -0.10 -1.00 0.07 0.00 1.34 0.00 0.00 72.50 72.82 1xsc s THR 44 CO 0.29 0.00 -0.12 -2.65 -0.54 0.00 0.00 174.62 171.60 1xsc n PRO 45 N 3.35 -1.39 -1.79 3.99 -0.02 -1.26 -1.54 135.00 136.34 1xsc n PRO 45 Ca -0.18 -0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 60.71 1xsc n PRO 45 Cb 0.57 -1.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.32 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xsc s PRO 46 N -3.32 1.72 0.11 0.52 0.02 -1.26 -4.67 135.00 128.11 1xsc s PRO 46 Ca 0.54 -0.65 0.03 0.00 0.02 0.00 0.00 61.00 60.94 1xsc s PRO 46 Cb -0.10 -5.07 -0.04 0.00 0.02 0.00 0.00 34.50 29.31 1xsc s PRO 46 CO 0.66 -4.84 0.13 -1.59 -0.33 0.00 0.00 177.00 171.03 1xsc s LYS 47 N 7.71 2.99 0.11 5.54 -2.85 -1.26 -3.23 119.74 128.73 1xsc s LYS 47 Ca 0.77 -0.71 0.02 0.00 -1.00 0.00 0.00 55.97 55.04 1xsc s LYS 47 Cb -0.04 -2.75 -0.01 0.00 -2.06 0.00 0.00 37.83 32.97 1xsc s LYS 47 CO 0.15 0.54 0.06 0.41 0.10 0.00 0.00 175.35 176.61 1xsc n GLY 48 N 0.11 3.80 3.28 0.59 0.00 -0.05 -4.90 105.19 108.02 1xsc n GLY 48 Ca -0.08 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 1xsc n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xsc s HIS 49 N -2.14 3.23 0.07 1.61 -3.43 -1.26 0.18 115.29 113.55 1xsc s HIS 49 Ca 0.08 -1.38 -0.30 0.00 -0.80 0.00 0.00 55.06 52.66 1xsc s HIS 49 Cb 0.00 -2.26 -0.05 0.00 -1.43 0.00 0.00 32.58 28.85 1xsc s HIS 49 CO 0.06 -0.71 0.98 0.54 -2.00 0.00 0.00 174.74 173.61 1xsc s VAL 50 N 1.41 4.59 0.28 -5.38 0.11 0.14 -4.84 120.40 116.71 1xsc s VAL 50 Ca -0.01 2.04 -0.07 0.00 -2.93 0.00 0.00 61.98 61.00 1xsc s VAL 50 Cb -0.19 -4.30 -0.06 0.00 -1.53 0.00 0.00 36.38 30.29 1xsc s VAL 50 CO 0.02 0.26 0.57 -0.70 -3.33 0.00 0.00 175.10 171.93 1xsc s GLU 51 N 0.36 3.72 0.39 1.54 2.12 -1.26 -4.20 118.70 121.37 1xsc s GLU 51 Ca 0.49 0.16 0.23 0.00 0.36 0.00 0.00 54.97 56.21 1xsc s GLU 51 Cb -0.23 -2.62 1.23 0.00 0.26 0.00 0.00 34.13 32.77 1xsc s GLU 51 CO 0.29 0.23 1.66 -1.00 -0.54 0.00 0.00 175.26 175.91 1xsc h PRO 52 N 1.98 0.00 0.00 4.30 0.13 -1.96 0.21 132.00 136.66 1xsc h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xsc h PRO 52 CO 0.67 0.00 -0.83 0.41 -0.23 0.00 0.00 178.00 178.02 1xsc n GLY 53 N -1.26 -0.42 3.95 1.56 0.00 -1.26 -4.99 105.19 102.76 1xsc n GLY 53 Ca -0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1xsc n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsc s GLU 54 N -2.47 2.19 0.52 1.61 2.12 0.73 -5.09 118.70 118.30 1xsc s GLU 54 Ca 0.04 -0.47 -0.05 0.00 0.36 0.00 0.00 54.97 54.85 1xsc s GLU 54 Cb 0.11 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 1xsc s GLU 54 CO 0.60 -1.16 0.81 0.34 -0.54 0.00 0.00 175.26 175.32 1xsc s ASP 55 N -4.53 5.99 -0.03 -1.70 3.68 -1.26 -4.71 116.67 114.10 1xsc s ASP 55 Ca 0.60 0.79 -0.08 0.00 2.13 0.00 0.00 52.55 56.00 1xsc s ASP 55 Cb -0.10 -1.99 -0.04 0.00 -1.45 0.00 0.00 42.92 39.34 1xsc s ASP 55 CO 0.43 -0.76 0.42 0.44 0.13 0.00 0.00 175.17 175.83 1xsc h ASP 56 N 0.10 -0.23 -0.63 -0.34 3.45 -1.98 -3.03 116.42 113.77 1xsc h ASP 56 Ca -0.46 0.01 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 1xsc h ASP 56 Cb 1.23 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 40.03 1xsc h ASP 56 CO 0.61 0.06 0.13 0.25 -1.57 0.00 0.00 179.24 178.72 1xsc h LEU 57 N -0.72 0.99 -0.70 1.55 5.85 -1.96 -2.81 115.31 117.51 1xsc h LEU 57 Ca -0.03 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 58.62 1xsc h LEU 57 Cb 0.21 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 1xsc h LEU 57 CO 0.05 0.97 0.20 -0.33 -0.34 0.00 0.00 178.44 178.98 1xsc h GLU 58 N 0.98 0.31 -0.67 1.25 5.08 -1.98 1.52 114.58 121.07 1xsc h GLU 58 Ca 0.20 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1xsc h GLU 58 Cb 0.38 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1xsc h GLU 58 CO 0.01 0.20 0.43 1.15 -1.00 0.00 0.00 179.01 179.80 1xsc h THR 59 N 0.32 1.14 0.00 1.13 2.02 -1.36 1.19 112.91 117.35 1xsc h THR 59 Ca 0.38 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 1xsc h THR 59 Cb 0.60 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1xsc h THR 59 CO -0.44 0.16 -0.55 0.00 0.37 0.00 0.00 175.52 175.05 1xsc h ALA 60 N 1.26 1.06 0.08 6.16 0.00 -0.62 -1.42 119.26 125.77 1xsc h ALA 60 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xsc h ALA 60 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xsc h ALA 60 CO -0.07 0.69 -0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1xsc h LEU 61 N 0.00 -0.09 -1.12 0.00 3.38 0.33 -2.77 115.31 115.04 1xsc h LEU 61 Ca -0.01 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1xsc h LEU 61 Cb 1.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1xsc h LEU 61 CO 0.07 0.57 0.43 -0.09 0.09 0.00 0.00 178.44 179.52 1xsc h ARG 62 N -0.85 1.04 -0.30 1.13 2.43 0.14 -1.13 114.38 116.83 1xsc h ARG 62 Ca -0.01 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1xsc h ARG 62 Cb 0.60 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1xsc h ARG 62 CO 0.02 0.75 0.01 0.00 -1.51 0.00 0.00 179.97 179.24 1xsc h ALA 63 N 1.42 1.46 0.42 2.80 0.00 -1.34 0.71 119.26 124.74 1xsc h ALA 63 Ca 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xsc h ALA 63 Cb -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xsc h ALA 63 CO -0.05 0.39 -0.20 1.15 0.00 0.00 0.00 179.25 180.54 1xsc h THR 64 N 0.44 0.58 0.00 0.00 2.02 -0.91 0.73 112.91 115.78 1xsc h THR 64 Ca 0.10 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1xsc h THR 64 Cb 0.28 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1xsc h THR 64 CO 0.01 0.04 -0.31 0.06 0.37 0.00 0.00 175.52 175.68 1xsc h GLN 65 N -0.69 0.00 0.05 6.66 3.07 -0.29 1.18 115.11 125.09 1xsc h GLN 65 Ca -0.06 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.45 1xsc h GLN 65 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 1xsc h GLN 65 CO 0.09 0.31 -1.04 0.93 0.09 0.00 0.00 178.83 179.22 1xsc h GLU 66 N 0.00 0.22 -0.19 0.06 4.39 0.68 0.38 114.58 120.12 1xsc h GLU 66 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1xsc h GLU 66 Cb 0.87 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1xsc h GLU 66 CO 0.04 1.08 0.00 0.39 -1.16 0.00 0.00 179.01 179.36 1xsc n GLU 67 N -3.58 2.07 0.00 2.33 1.02 0.25 -3.20 120.64 119.53 1xsc n GLU 67 Ca -0.05 -1.64 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1xsc n GLU 67 Cb 0.91 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsc n ALA 68 N 0.34 0.00 -0.55 0.62 0.00 0.40 -4.27 120.51 117.05 1xsc n ALA 68 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xsc n ALA 68 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1xsc n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsc n GLY 69 N 0.00 1.04 3.58 0.00 0.00 0.13 -0.51 105.19 109.43 1xsc n GLY 69 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xsc n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsc s ILE 70 N -2.69 5.15 0.43 -0.61 1.01 -1.21 -4.71 121.20 118.57 1xsc s ILE 70 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1xsc s ILE 70 Cb 0.00 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1xsc s ILE 70 CO 0.00 0.28 0.41 -1.83 0.00 0.00 0.00 174.94 173.80 1xsc s GLU 71 N 1.64 2.54 0.47 2.79 -1.05 -1.26 -0.48 118.70 123.35 1xsc s GLU 71 Ca 0.07 -1.54 0.26 0.00 -0.15 0.00 0.00 54.97 53.61 1xsc s GLU 71 Cb -0.16 -2.41 1.31 0.00 -0.44 0.00 0.00 34.13 32.44 1xsc s GLU 71 CO 0.09 -0.24 1.82 0.00 0.95 0.00 0.00 175.26 177.87 1xsc h ALA 72 N 0.95 2.61 0.00 -0.84 0.00 -1.87 1.34 119.26 121.45 1xsc h ALA 72 Ca -0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xsc h ALA 72 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsc h ALA 72 CO 0.56 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 179.26 1xsc n GLY 73 N -1.61 -1.12 0.00 0.00 0.00 -1.26 -2.62 105.19 98.58 1xsc n GLY 73 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1xsc n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsc n GLN 74 N -1.73 3.20 -2.87 1.61 1.13 0.44 -5.02 117.38 114.14 1xsc n GLN 74 Ca 0.03 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 54.97 1xsc n GLN 74 Cb 0.20 -0.94 -0.02 0.00 0.11 0.00 0.00 30.24 29.59 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsc n LEU 75 N -1.36 0.00 -3.73 1.08 -0.00 -0.16 0.24 117.00 113.07 1xsc n LEU 75 Ca 0.00 -1.04 -0.30 0.00 -0.00 0.00 0.00 56.01 54.68 1xsc n LEU 75 Cb 0.13 0.12 -0.15 0.00 -0.00 0.00 0.00 43.42 43.53 1xsc n LEU 75 CO 0.14 -0.15 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.17 1xsc s THR 76 N -1.61 0.96 -0.57 1.47 2.01 0.24 -4.76 115.64 113.39 1xsc s THR 76 Ca 0.00 -1.61 -0.27 0.00 0.31 0.00 0.00 61.69 60.13 1xsc s THR 76 Cb 0.00 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 1xsc s THR 76 CO 0.00 -0.72 1.78 -0.63 -0.69 0.00 0.00 174.62 174.36 1xsc s ILE 77 N 1.39 3.44 0.34 1.82 -1.09 -1.25 -1.57 121.20 124.28 1xsc s ILE 77 Ca 0.11 0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 1xsc s ILE 77 Cb -0.19 -3.99 -0.10 0.00 -1.58 0.00 0.00 42.46 36.60 1xsc s ILE 77 CO -0.20 -0.89 1.35 -0.63 -1.23 0.00 0.00 174.94 173.34 1xsc s ILE 78 N 8.27 2.55 0.12 2.92 1.09 0.21 -4.95 121.20 131.40 1xsc s ILE 78 Ca 0.66 0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 60.75 1xsc s ILE 78 Cb -0.14 -3.35 -0.05 0.00 -1.06 0.00 0.00 42.46 37.86 1xsc s ILE 78 CO 0.23 0.13 0.30 -1.61 -0.10 0.00 0.00 174.94 173.90 1xsc s GLU 79 N -1.87 3.52 0.00 2.79 2.02 -1.26 -4.39 118.70 119.51 1xsc s GLU 79 Ca 0.50 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1xsc s GLU 79 Cb -0.41 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1xsc s GLU 79 CO 0.55 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.76 1xsc n GLY 80 N 0.02 3.17 3.46 -1.39 0.00 -1.26 -5.05 105.19 104.14 1xsc n GLY 80 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1xsc n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsc s PHE 81 N -2.81 3.03 -0.26 1.61 2.19 -1.26 -5.08 117.98 115.39 1xsc s PHE 81 Ca 0.00 -0.43 -0.19 0.00 0.33 0.00 0.00 56.93 56.64 1xsc s PHE 81 Cb 0.00 -2.04 0.07 0.00 -1.31 0.00 0.00 43.02 39.74 1xsc s PHE 81 CO 0.00 -0.19 0.66 0.21 1.83 0.00 0.00 175.22 177.73 1xsc s LYS 82 N 0.81 0.72 -0.13 10.12 2.20 -1.26 -4.49 119.74 127.71 1xsc s LYS 82 Ca -0.00 1.07 -0.25 0.00 -0.36 0.00 0.00 55.97 56.43 1xsc s LYS 82 Cb -0.14 0.23 0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1xsc s LYS 82 CO 0.02 -0.13 0.62 0.50 -0.36 0.00 0.00 175.35 176.00 1xsc s ARG 83 N 1.07 0.88 -0.04 4.03 6.06 -1.22 -5.01 118.95 124.72 1xsc s ARG 83 Ca -0.06 0.48 0.05 0.00 -2.50 0.00 0.00 55.73 53.71 1xsc s ARG 83 Cb -0.05 0.42 -0.01 0.00 0.06 0.00 0.00 34.95 35.37 1xsc s ARG 83 CO -0.10 -0.21 -0.21 -1.83 -2.50 0.00 0.00 175.30 170.45 1xsc s GLU 84 N -0.54 2.04 -0.29 5.12 1.03 -1.25 0.77 118.70 125.57 1xsc s GLU 84 Ca -0.07 -0.74 -0.11 0.00 0.03 0.00 0.00 54.97 54.08 1xsc s GLU 84 Cb -0.03 -1.78 -0.04 0.00 -0.80 0.00 0.00 34.13 31.48 1xsc s GLU 84 CO 0.05 0.33 0.20 -0.51 -1.33 0.00 0.00 175.26 174.00 1xsc s LEU 85 N -0.13 4.12 -0.25 1.83 1.43 0.31 -4.76 118.68 121.23 1xsc s LEU 85 Ca -0.01 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1xsc s LEU 85 Cb -0.12 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1xsc s LEU 85 CO 0.02 -0.09 0.01 0.20 0.23 0.00 0.00 176.35 176.73 1xsc s ASN 86 N 1.75 4.71 -0.18 2.29 0.01 -1.25 0.01 114.94 122.29 1xsc s ASN 86 Ca 0.07 -0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 51.50 1xsc s ASN 86 Cb -0.16 -1.82 0.12 0.00 0.41 0.00 0.00 41.25 39.80 1xsc s ASN 86 CO 0.11 -0.07 0.96 -0.72 -1.51 0.00 0.00 177.10 175.87 1xsc s TYR 87 N 1.51 -0.44 -0.40 2.20 -0.85 -1.16 -4.93 117.35 113.29 1xsc s TYR 87 Ca 0.05 0.85 -0.26 0.00 -0.52 0.00 0.00 57.07 57.19 1xsc s TYR 87 Cb -0.15 0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.63 1xsc s TYR 87 CO -0.00 -0.35 0.95 0.54 -1.52 0.00 0.00 175.55 175.17 1xsc s VAL 88 N -0.77 4.52 0.00 -3.49 0.11 -1.26 -0.21 120.40 119.30 1xsc s VAL 88 Ca -0.02 1.10 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 1xsc s VAL 88 Cb -0.02 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 1xsc s VAL 88 CO 0.01 -0.66 0.00 0.00 -3.33 0.00 0.00 175.10 171.12 1xsc n ALA 89 N 6.98 0.00 -0.11 1.54 0.00 -0.98 -4.73 120.51 123.22 1xsc n ALA 89 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1xsc n ALA 89 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 1xsc n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsc h ARG 90 N 0.00 0.50 0.00 0.00 0.11 -2.03 -3.42 114.38 109.53 1xsc h ARG 90 Ca 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 1xsc h ARG 90 Cb 0.00 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1xsc h ARG 90 CO 0.00 0.51 -0.01 -1.71 0.10 0.00 0.00 179.97 178.85 1xsc n ASN 91 N -4.70 -0.05 -3.70 0.08 5.15 -1.26 -5.14 115.26 105.64 1xsc n ASN 91 Ca -0.01 -0.31 -0.11 0.00 -0.60 0.00 0.00 54.58 53.55 1xsc n ASN 91 Cb 0.15 0.01 -0.11 0.00 -0.53 0.00 0.00 39.78 39.30 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsc s LYS 92 N 0.00 0.39 -0.10 1.20 2.47 -1.26 -5.08 119.74 117.36 1xsc s LYS 92 Ca 0.00 0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 54.87 1xsc s LYS 92 Cb 0.00 -0.01 -0.05 0.00 -1.46 0.00 0.00 37.83 36.32 1xsc s LYS 92 CO 0.00 -0.15 1.64 -1.25 0.16 0.00 0.00 175.35 175.75 1xsc s PRO 93 N 1.29 4.07 -0.22 4.03 0.04 -1.26 -2.31 135.00 140.64 1xsc s PRO 93 Ca -0.09 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1xsc s PRO 93 Cb -0.08 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1xsc s PRO 93 CO -0.11 -0.97 0.05 0.15 0.04 0.00 0.00 177.00 176.16 1xsc s LYS 94 N 4.22 3.72 -0.53 4.56 1.02 0.71 0.77 119.74 134.20 1xsc s LYS 94 Ca 0.73 -0.46 -0.22 0.00 0.02 0.00 0.00 55.97 56.04 1xsc s LYS 94 Cb -0.31 -3.24 0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1xsc s LYS 94 CO 0.29 -0.04 0.82 0.99 -0.92 0.00 0.00 175.35 176.50 1xsc s THR 95 N 1.19 4.57 -0.39 2.17 2.01 0.28 -2.96 115.64 122.51 1xsc s THR 95 Ca 0.04 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 1xsc s THR 95 Cb -0.14 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 67.97 1xsc s THR 95 CO 0.03 -1.00 0.22 -0.69 -0.69 0.00 0.00 174.62 172.49 1xsc s VAL 96 N 3.46 4.38 -0.13 3.82 1.01 0.10 -0.15 120.40 132.89 1xsc s VAL 96 Ca 0.25 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 1xsc s VAL 96 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1xsc s VAL 96 CO 0.17 -0.33 0.69 -0.63 0.00 0.00 0.00 175.10 174.99 1xsc s ILE 97 N 1.49 5.02 -0.13 2.22 -1.09 -0.69 0.11 121.20 128.13 1xsc s ILE 97 Ca 0.02 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1xsc s ILE 97 Cb -0.21 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1xsc s ILE 97 CO 0.05 0.17 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.47 1xsc s TYR 98 N 1.42 2.79 0.06 3.97 2.02 0.23 0.30 117.35 128.14 1xsc s TYR 98 Ca 0.34 -0.75 0.06 0.00 -0.37 0.00 0.00 57.07 56.35 1xsc s TYR 98 Cb -0.17 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1xsc s TYR 98 CO 0.14 -0.28 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.14 1xsc s TRP 99 N 0.46 2.73 0.09 2.71 0.51 -1.08 -3.38 118.94 120.99 1xsc s TRP 99 Ca -0.10 -0.15 -0.30 0.00 -2.12 0.00 0.00 56.10 53.42 1xsc s TRP 99 Cb -0.16 -1.48 -0.05 0.00 -0.81 0.00 0.00 33.47 30.96 1xsc s TRP 99 CO 0.05 0.37 1.02 -0.51 -0.51 0.00 0.00 176.95 177.37 1xsc s LEU 100 N -1.81 4.44 -0.02 2.99 1.43 -1.26 0.12 118.68 124.58 1xsc s LEU 100 Ca 0.18 1.84 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 1xsc s LEU 100 Cb -0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1xsc s LEU 100 CO 0.10 -0.20 0.08 0.00 0.23 0.00 0.00 176.35 176.56 1xsc s ALA 101 N 0.38 -0.19 -0.20 4.21 0.00 0.13 0.64 121.76 126.73 1xsc s ALA 101 Ca 0.50 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1xsc s ALA 101 Cb -0.25 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1xsc s ALA 101 CO 0.30 -0.11 -0.10 -2.00 0.00 0.00 0.00 175.76 173.85 1xsc s GLU 102 N -0.62 2.00 -0.04 0.00 -6.30 -0.61 0.29 118.70 113.41 1xsc s GLU 102 Ca -0.07 -0.82 -0.30 0.00 -2.50 0.00 0.00 54.97 51.28 1xsc s GLU 102 Cb -0.04 -2.39 -0.04 0.00 0.00 0.00 0.00 34.13 31.66 1xsc s GLU 102 CO 0.00 -0.43 1.37 0.14 0.02 0.00 0.00 175.26 176.37 1xsc s VAL 103 N 1.41 3.89 0.54 3.70 -7.23 -1.25 0.83 120.40 122.28 1xsc s VAL 103 Ca -0.01 1.21 0.20 0.00 -1.81 0.00 0.00 61.98 61.57 1xsc s VAL 103 Cb -0.16 -3.78 0.29 0.00 0.56 0.00 0.00 36.38 33.29 1xsc s VAL 103 CO -0.08 -0.03 2.18 0.11 -0.31 0.00 0.00 175.10 176.96 1xsc h LYS 104 N 8.03 0.00 -4.97 4.82 1.57 -0.53 -3.41 116.57 122.09 1xsc h LYS 104 Ca -0.35 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.79 1xsc h LYS 104 Cb 1.16 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.29 1xsc h LYS 104 CO 0.92 0.01 -0.55 0.34 -0.57 0.00 0.00 179.45 179.59 1xsc s ASP 105 N -6.80 5.74 0.19 0.86 3.68 -1.26 -4.97 116.67 114.11 1xsc s ASP 105 Ca -0.05 -0.05 -0.12 0.00 2.13 0.00 0.00 52.55 54.46 1xsc s ASP 105 Cb 0.16 -2.05 0.12 0.00 -1.45 0.00 0.00 42.92 39.71 1xsc s ASP 105 CO 0.63 -0.01 1.86 0.22 0.13 0.00 0.00 175.17 178.00 1xsc h TYR 106 N 8.10 0.80 -0.81 -5.34 5.03 -2.00 -0.85 116.97 121.90 1xsc h TYR 106 Ca -0.37 0.02 -0.30 0.00 2.58 0.00 0.00 58.73 60.66 1xsc h TYR 106 Cb 1.18 -0.27 -0.18 0.00 1.55 0.00 0.00 36.73 39.01 1xsc h TYR 106 CO 0.71 0.50 0.38 -0.25 -1.32 0.00 0.00 178.16 178.18 1xsc n ASP 107 N -4.65 4.54 -4.29 -2.11 10.43 -1.26 -5.01 116.55 114.20 1xsc n ASP 107 Ca 0.05 -3.31 -0.38 0.00 2.57 0.00 0.00 54.79 53.72 1xsc n ASP 107 Cb 0.03 -0.77 0.02 0.00 1.84 0.00 0.00 41.12 42.24 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsc n VAL 108 N -0.41 0.64 -2.26 2.53 3.14 -0.33 -4.87 118.33 116.78 1xsc n VAL 108 Ca 0.46 -0.49 -0.39 0.00 -2.96 0.00 0.00 64.34 60.96 1xsc n VAL 108 Cb 1.47 -0.21 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 1xsc n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsc s GLU 109 N -1.50 4.27 -0.37 1.45 1.03 -1.26 -5.01 118.70 117.30 1xsc s GLU 109 Ca 0.59 1.97 0.04 0.00 0.03 0.00 0.00 54.97 57.59 1xsc s GLU 109 Cb -0.44 -2.91 0.11 0.00 -0.80 0.00 0.00 34.13 30.08 1xsc s GLU 109 CO 0.64 -0.17 0.09 0.42 -1.33 0.00 0.00 175.26 174.92 1xsc s ILE 110 N -1.27 2.30 -0.63 1.83 -1.09 -1.23 -4.23 121.20 116.89 1xsc s ILE 110 Ca 0.52 -2.52 -0.16 0.00 -2.23 0.00 0.00 60.65 56.26 1xsc s ILE 110 Cb -0.34 -2.68 0.14 0.00 -1.58 0.00 0.00 42.46 38.00 1xsc s ILE 110 CO 0.44 -0.64 0.63 -0.13 -1.23 0.00 0.00 174.94 174.01 1xsc s ARG 111 N 0.68 3.16 -0.19 2.79 0.52 0.33 -4.82 118.95 121.42 1xsc s ARG 111 Ca 0.12 -1.78 -0.17 0.00 -0.52 0.00 0.00 55.73 53.38 1xsc s ARG 111 Cb -0.20 -4.34 -0.04 0.00 0.52 0.00 0.00 34.95 30.89 1xsc s ARG 111 CO -0.07 -1.39 0.47 -0.51 0.02 0.00 0.00 175.30 173.82 1xsc s LEU 112 N 1.60 4.17 0.00 2.53 1.43 -1.26 -1.31 118.68 125.84 1xsc s LEU 112 Ca 0.09 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1xsc s LEU 112 Cb -0.23 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1xsc s LEU 112 CO 0.01 -0.11 0.00 -1.20 0.23 0.00 0.00 176.35 175.27 1xsc n SER 113 N 4.50 0.00 -0.47 2.29 7.64 -1.20 -4.89 113.62 121.49 1xsc n SER 113 Ca -0.06 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1xsc n SER 113 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xsc n HIS 114 N -1.19 0.00 -0.08 1.43 8.25 -1.26 -2.90 115.22 119.47 1xsc n HIS 114 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1xsc n HIS 114 Cb 0.00 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 30.93 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1xsc n GLU 115 N 0.08 1.12 -5.15 -0.41 1.02 -1.26 -4.98 120.64 111.06 1xsc n GLU 115 Ca 0.00 0.04 -0.32 0.00 -0.02 0.00 0.00 57.16 56.86 1xsc n GLU 115 Cb 0.19 -1.38 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsc s HIS 116 N -2.37 2.50 -0.06 -0.32 3.76 -1.14 -4.01 115.29 113.65 1xsc s HIS 116 Ca -0.15 -0.50 0.13 0.00 -0.15 0.00 0.00 55.06 54.39 1xsc s HIS 116 Cb 0.05 -1.60 -0.12 0.00 1.11 0.00 0.00 32.58 32.03 1xsc s HIS 116 CO 0.54 -0.07 1.06 0.37 -0.85 0.00 0.00 174.74 175.79 1xsc h GLN 117 N 5.78 0.00 -2.30 1.40 5.75 -1.73 -3.41 115.11 120.60 1xsc h GLN 117 Ca -0.38 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.32 1xsc h GLN 117 Cb 1.16 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1xsc h GLN 117 CO 0.49 0.54 0.59 0.00 -2.65 0.00 0.00 178.83 177.80 1xsc s ALA 118 N -2.83 -1.74 0.29 3.38 0.00 -1.23 -5.01 121.76 114.62 1xsc s ALA 118 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1xsc s ALA 118 Cb 0.09 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1xsc s ALA 118 CO 0.80 -1.06 0.17 1.52 0.00 0.00 0.00 175.76 177.18 1xsc s TYR 119 N -2.62 1.54 0.18 0.00 1.13 -1.26 0.89 117.35 117.21 1xsc s TYR 119 Ca 0.18 -1.40 -0.20 0.00 -1.41 0.00 0.00 57.07 54.23 1xsc s TYR 119 Cb -0.01 -0.79 0.05 0.00 -1.10 0.00 0.00 41.96 40.11 1xsc s TYR 119 CO 0.03 -0.58 0.56 1.03 -2.51 0.00 0.00 175.55 174.09 1xsc s ARG 120 N -3.84 1.33 -0.24 -3.49 0.52 0.21 -4.84 118.95 108.60 1xsc s ARG 120 Ca 0.37 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1xsc s ARG 120 Cb 0.05 0.56 0.07 0.00 0.52 0.00 0.00 34.95 36.15 1xsc s ARG 120 CO 0.18 -0.58 0.03 -1.58 0.02 0.00 0.00 175.30 173.37 1xsc s TRP 121 N -3.81 1.66 0.24 -0.53 0.52 -1.26 -0.38 118.94 115.39 1xsc s TRP 121 Ca 0.05 -1.40 0.01 0.00 0.02 0.00 0.00 56.10 54.78 1xsc s TRP 121 Cb -0.01 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1xsc s TRP 121 CO -0.08 -0.74 0.16 -0.51 0.02 0.00 0.00 176.95 175.80 1xsc s LEU 122 N 1.64 1.38 0.00 2.99 1.02 -0.96 -4.87 118.68 119.88 1xsc s LEU 122 Ca 0.01 -1.48 0.00 0.00 0.02 0.00 0.00 54.13 52.67 1xsc s LEU 122 Cb -0.18 0.35 0.00 0.00 0.02 0.00 0.00 46.19 46.39 1xsc s LEU 122 CO -0.12 -0.88 0.00 0.61 0.02 0.00 0.00 176.35 175.98 1xsc n GLY 123 N -0.40 0.40 0.18 -3.19 0.00 -1.26 0.11 105.19 101.03 1xsc n GLY 123 Ca 0.03 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 1xsc n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsc h LEU 124 N 0.00 0.87 0.05 0.99 5.85 -1.92 -1.76 115.31 119.41 1xsc h LEU 124 Ca 0.00 -0.79 -0.00 0.00 0.84 0.00 0.00 57.88 57.93 1xsc h LEU 124 Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1xsc h LEU 124 CO 0.00 1.59 -0.03 1.05 -0.34 0.00 0.00 178.44 180.72 1xsc h GLU 125 N 0.29 -0.07 -0.09 1.25 4.11 -1.97 0.92 114.58 119.03 1xsc h GLU 125 Ca -0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.20 1xsc h GLU 125 Cb 1.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1xsc h GLU 125 CO 0.23 0.10 -0.17 0.93 0.07 0.00 0.00 179.01 180.16 1xsc h GLU 126 N -0.22 0.27 -0.29 1.06 3.07 -1.92 0.17 114.58 116.71 1xsc h GLU 126 Ca -0.01 -0.18 0.09 0.00 -0.50 0.00 0.00 59.36 58.76 1xsc h GLU 126 Cb 0.20 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1xsc h GLU 126 CO 0.01 0.77 0.26 0.00 -1.40 0.00 0.00 179.01 178.65 1xsc h ALA 127 N 0.51 2.08 0.04 3.43 0.00 -1.33 0.48 119.26 124.46 1xsc h ALA 127 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1xsc h ALA 127 Cb 0.76 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xsc h ALA 127 CO 0.04 -0.41 -1.25 0.00 0.00 0.00 0.00 179.25 177.63 1xsc h GLN 129 N 0.02 0.52 0.16 0.00 -0.00 0.29 -3.20 115.11 112.90 1xsc h GLN 129 Ca -0.12 -0.16 -0.31 0.00 -0.00 0.00 0.00 58.65 58.06 1xsc h GLN 129 Cb 1.89 -0.05 0.03 0.00 -0.00 0.00 0.00 27.48 29.35 1xsc h GLN 129 CO 0.14 0.66 -1.32 -0.07 -0.00 0.00 0.00 178.83 178.23 1xsc h LEU 130 N 0.32 0.88 -4.26 0.06 3.38 -1.25 -3.32 115.31 111.12 1xsc h LEU 130 Ca 0.09 -0.85 -0.12 0.00 0.09 0.00 0.00 57.88 57.08 1xsc h LEU 130 Cb 0.41 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1xsc h LEU 130 CO 0.01 1.65 -0.11 0.00 0.09 0.00 0.00 178.44 180.09 1xsc n ALA 131 N -2.69 4.62 -0.60 1.53 0.00 -0.66 -3.52 120.51 119.18 1xsc n ALA 131 Ca -0.15 -1.19 0.46 0.00 0.00 0.00 0.00 53.44 52.56 1xsc n ALA 131 Cb 1.03 -2.25 0.71 0.00 0.00 0.00 0.00 19.45 18.94 1xsc n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsc n GLN 132 N 2.61 -0.01 -1.73 0.00 0.00 -1.25 -3.93 117.38 113.07 1xsc n GLN 132 Ca 0.28 1.00 -0.42 0.00 0.00 0.00 0.00 57.00 57.86 1xsc n GLN 132 Cb 0.62 -2.24 -0.03 0.00 0.00 0.00 0.00 30.24 28.59 1xsc n GLN 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xsc s PHE 133 N -4.74 1.40 0.37 2.61 0.40 -1.26 -4.84 117.98 111.92 1xsc s PHE 133 Ca -0.05 -0.22 0.18 0.00 -0.60 0.00 0.00 56.93 56.24 1xsc s PHE 133 Cb 0.25 -4.15 1.12 0.00 0.51 0.00 0.00 43.02 40.75 1xsc s PHE 133 CO 0.79 -5.07 1.70 -0.22 0.70 0.00 0.00 175.22 173.12 1xsc h LYS 134 N 10.92 0.34 0.68 0.44 3.64 -1.98 -0.83 116.57 129.78 1xsc h LYS 134 Ca -0.47 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1xsc h LYS 134 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xsc h LYS 134 CO 0.95 0.22 -0.34 0.93 -2.27 0.00 0.00 179.45 178.93 1xsc h GLU 135 N 0.35 -0.91 -0.64 1.90 3.07 -1.88 -2.69 114.58 113.78 1xsc h GLU 135 Ca 0.69 0.06 0.09 0.00 -0.50 0.00 0.00 59.36 59.70 1xsc h GLU 135 Cb 1.71 0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 29.76 1xsc h GLU 135 CO -0.45 -0.60 0.27 0.52 -1.40 0.00 0.00 179.01 177.35 1xsc h MET 136 N -0.94 0.46 -0.91 2.33 2.86 -1.43 0.36 114.93 117.67 1xsc h MET 136 Ca -0.09 -0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.72 1xsc h MET 136 Cb 0.73 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.22 1xsc h MET 136 CO 0.14 0.31 0.60 0.87 1.06 0.00 0.00 176.91 179.88 1xsc h LYS 137 N 0.48 0.43 0.03 1.72 6.56 -1.25 0.54 116.57 125.08 1xsc h LYS 137 Ca 0.32 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.78 1xsc h LYS 137 Cb 0.36 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1xsc h LYS 137 CO -0.28 0.28 -0.42 0.00 -2.06 0.00 0.00 179.45 176.96 1xsc h ALA 138 N 1.61 0.00 -0.45 3.86 0.00 -0.66 -0.73 119.26 122.89 1xsc h ALA 138 Ca 0.47 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1xsc h ALA 138 Cb 1.14 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1xsc h ALA 138 CO -0.19 0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.29 1xsc h ALA 139 N 0.19 0.45 0.00 0.00 0.00 0.07 0.32 119.26 120.29 1xsc h ALA 139 Ca -0.06 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xsc h ALA 139 Cb 1.23 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1xsc h ALA 139 CO 0.08 -0.37 -0.43 -0.07 0.00 0.00 0.00 179.25 178.46 1xsc h LEU 140 N 0.15 0.00 0.13 0.00 3.38 -1.04 -2.39 115.31 115.53 1xsc h LEU 140 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1xsc h LEU 140 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xsc h LEU 140 CO -0.35 0.43 -0.06 1.56 0.09 0.00 0.00 178.44 180.11 1xsc h GLN 141 N 0.00 -0.16 0.00 1.13 1.08 0.69 -2.94 115.11 114.91 1xsc h GLN 141 Ca -0.00 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xsc h GLN 141 Cb 1.06 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1xsc h GLN 141 CO 0.06 0.15 -0.43 0.93 -0.95 0.00 0.00 178.83 178.59 1xsc h GLU 142 N -0.49 0.00 -0.49 1.46 4.39 -0.53 -2.42 114.58 116.50 1xsc h GLU 142 Ca -0.02 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1xsc h GLU 142 Cb 0.39 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1xsc h GLU 142 CO 0.03 0.43 0.26 0.78 -1.16 0.00 0.00 179.01 179.35 1xsc h GLY 143 N 1.55 0.68 2.00 -3.84 0.00 -1.34 0.52 103.07 102.65 1xsc h GLY 143 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1xsc h GLY 143 CO 0.06 0.13 -0.71 0.84 0.00 0.00 0.00 176.54 176.86 1xsc h HIS 144 N 0.51 0.00 0.00 5.60 -0.00 -1.43 -2.17 115.15 117.66 1xsc h HIS 144 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1xsc h HIS 144 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1xsc h HIS 144 CO -0.09 0.71 -0.00 0.37 -0.00 0.00 0.00 177.93 178.92 1xsc h GLN 145 N 0.00 -0.01 0.13 5.26 5.75 -0.85 -2.31 115.11 123.09 1xsc h GLN 145 Ca -0.01 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1xsc h GLN 145 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.91 1xsc h GLN 145 CO 0.09 0.52 -0.06 0.35 -2.65 0.00 0.00 178.83 177.08 1xsc h PHE 146 N -0.54 -0.16 -0.21 3.99 3.04 -0.06 -3.06 116.94 119.93 1xsc h PHE 146 Ca -0.00 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 1xsc h PHE 146 Cb 0.53 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1xsc h PHE 146 CO 0.11 0.21 0.18 -0.07 -2.02 0.00 0.00 178.31 176.72 1xsc h LEU 147 N -0.56 0.00 -1.90 0.59 3.38 -1.51 0.12 115.31 115.42 1xsc h LEU 147 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xsc h LEU 147 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xsc h LEU 147 CO 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.50 1xsc n SER 149 N -3.27 0.79 0.00 0.00 2.88 0.41 -4.85 113.62 109.58 1xsc n SER 149 Ca -0.01 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 1xsc n SER 149 Cb 0.25 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N -0.96 0.00 0.00 2.46 5.41 -0.70 -5.11 119.36 120.46 1xsc n ILE 150 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1xsc n ILE 150 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 1xsc n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.00 -3.81 0.38 0.00 -1.26 -5.10 120.64 110.85 1xsc n GLU 151 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 1xsc n GLU 151 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.45 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xsc n ALA 152 N -1.39 -3.28 1.24 4.31 0.00 -1.26 -5.13 120.51 115.00 1xsc n ALA 152 Ca 0.00 -0.75 0.13 0.00 0.00 0.00 0.00 53.44 52.82 1xsc n ALA 152 Cb 0.00 0.16 0.30 0.00 0.00 0.00 0.00 19.45 19.91 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39