#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc s PRO 2 N 0.00 3.60 -0.59 1.61 0.04 -1.26 -4.90 135.00 133.50 1xsc s PRO 2 Ca 0.00 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 1xsc s PRO 2 Cb 0.00 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1xsc s PRO 2 CO 0.00 -0.62 2.31 -0.51 0.04 0.00 0.00 177.00 178.21 1xsc s LEU 3 N -3.60 3.27 0.00 -3.56 1.02 -1.26 -4.79 118.68 109.75 1xsc s LEU 3 Ca 0.70 0.67 0.00 0.00 0.02 0.00 0.00 54.13 55.52 1xsc s LEU 3 Cb -0.20 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.49 1xsc s LEU 3 CO 0.24 -3.01 0.00 0.61 0.02 0.00 0.00 176.35 174.21 1xsc n GLY 4 N 6.17 5.12 0.42 -3.19 0.00 -1.26 -5.02 105.19 107.44 1xsc n GLY 4 Ca 0.37 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xsc n SER 5 N 0.00 1.30 -1.45 1.61 2.88 -1.26 -5.04 113.62 111.65 1xsc n SER 5 Ca 0.00 -1.53 0.14 0.00 -1.33 0.00 0.00 58.87 56.15 1xsc n SER 5 Cb 0.00 -0.04 -0.08 0.00 -0.75 0.00 0.00 64.21 63.34 1xsc n SER 5 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1xsc n MET 6 N 0.04 -3.44 -1.27 -1.46 1.56 -1.26 -4.98 117.12 106.31 1xsc n MET 6 Ca 0.18 2.80 0.17 0.00 -0.27 0.00 0.00 57.70 60.57 1xsc n MET 6 Cb 0.30 -3.89 -0.05 0.00 2.15 0.00 0.00 33.22 31.73 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xsc n ALA 7 N -4.03 -3.29 -3.32 -5.12 0.00 -1.26 -4.83 120.51 98.66 1xsc n ALA 7 Ca -0.08 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.54 1xsc n ALA 7 Cb 0.65 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 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 -6.77 2.67 -0.12 0.00 1.02 0.22 -4.94 118.68 110.76 1xsc s LEU 8 Ca 0.00 -0.39 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 1xsc s LEU 8 Cb 0.00 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.58 1xsc s LEU 8 CO 0.00 0.10 1.10 -0.60 0.02 0.00 0.00 176.35 176.96 1xsc s ARG 9 N 0.76 4.35 0.07 1.70 3.52 -1.26 -0.66 118.95 127.42 1xsc s ARG 9 Ca -0.05 1.50 -0.04 0.00 -0.13 0.00 0.00 55.73 57.00 1xsc s ARG 9 Cb -0.15 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.63 1xsc s ARG 9 CO 0.01 -0.45 0.06 0.00 -0.81 0.00 0.00 175.30 174.11 1xsc s ALA 10 N 2.44 0.21 -0.17 6.12 0.00 0.15 -1.28 121.76 129.23 1xsc s ALA 10 Ca 0.50 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 1xsc s ALA 10 Cb -0.20 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.36 1xsc s ALA 10 CO 0.17 -0.43 0.38 0.00 0.00 0.00 0.00 175.76 175.88 1xsc s GLY 12 N 2.11 2.46 -0.13 0.00 0.00 0.13 -0.69 107.32 111.20 1xsc s GLY 12 Ca -0.04 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 1xsc s GLY 12 CO -0.12 -1.97 -0.06 -2.27 0.00 0.00 0.00 173.10 168.69 1xsc s LEU 13 N -4.17 1.25 -0.95 0.66 0.20 -1.09 -3.48 118.68 111.09 1xsc s LEU 13 Ca 0.31 -0.41 -0.22 0.00 0.69 0.00 0.00 54.13 54.50 1xsc s LEU 13 Cb -0.01 -0.81 0.07 0.00 -0.43 0.00 0.00 46.19 45.01 1xsc s LEU 13 CO 0.19 -0.15 1.33 -0.63 -0.29 0.00 0.00 176.35 176.80 1xsc s ILE 14 N 1.72 4.11 0.32 6.68 1.01 0.30 -4.47 121.20 130.88 1xsc s ILE 14 Ca 0.03 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 1xsc s ILE 14 Cb -0.13 -4.96 -0.10 0.00 0.01 0.00 0.00 42.46 37.28 1xsc s ILE 14 CO -0.08 -1.81 0.89 -0.63 0.00 0.00 0.00 174.94 173.31 1xsc s ILE 15 N 4.47 4.35 -0.19 2.92 1.01 -1.26 -0.21 121.20 132.28 1xsc s ILE 15 Ca 0.41 1.59 -0.09 0.00 0.00 0.00 0.00 60.65 62.56 1xsc s ILE 15 Cb -0.03 -3.87 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1xsc s ILE 15 CO -0.06 0.04 0.45 0.72 0.00 0.00 0.00 174.94 176.09 1xsc s PHE 16 N -1.74 -0.73 -0.39 3.97 -0.12 0.79 -1.66 117.98 118.10 1xsc s PHE 16 Ca 0.51 1.48 -0.23 0.00 -0.05 0.00 0.00 56.93 58.64 1xsc s PHE 16 Cb -0.16 0.34 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 1xsc s PHE 16 CO 0.21 -0.41 0.77 0.50 -0.05 0.00 0.00 175.22 176.24 1xsc s ARG 17 N 1.77 3.63 -0.16 1.99 3.00 -1.04 -3.65 118.95 124.49 1xsc s ARG 17 Ca -0.08 0.15 -0.22 0.00 -1.00 0.00 0.00 55.73 54.59 1xsc s ARG 17 Cb -0.09 -3.85 -0.03 0.00 0.00 0.00 0.00 34.95 30.98 1xsc s ARG 17 CO -0.14 -0.93 0.66 0.50 0.00 0.00 0.00 175.30 175.40 1xsc s ARG 18 N 3.12 4.27 0.45 5.12 6.06 -1.26 -2.89 118.95 133.83 1xsc s ARG 18 Ca 0.30 0.72 -0.13 0.00 -2.50 0.00 0.00 55.73 54.12 1xsc s ARG 18 Cb -0.13 -3.54 -0.07 0.00 0.06 0.00 0.00 34.95 31.27 1xsc s ARG 18 CO 0.19 -0.17 0.85 0.00 -2.50 0.00 0.00 175.30 173.66 1xsc n LEU 20 N -1.45 0.00 -4.68 0.00 4.77 -1.26 -4.84 117.00 109.54 1xsc n LEU 20 Ca 0.04 0.44 -0.30 0.00 -0.03 0.00 0.00 56.01 56.16 1xsc n LEU 20 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1xsc n LEU 20 CO 0.47 0.00 -0.34 0.27 -1.33 0.00 0.00 177.39 176.47 1xsc s ILE 21 N -0.88 3.97 0.65 -0.08 -5.25 -1.26 -5.11 121.20 113.24 1xsc s ILE 21 Ca 0.00 -1.03 -0.17 0.00 -0.99 0.00 0.00 60.65 58.46 1xsc s ILE 21 Cb 0.00 -2.90 -0.00 0.00 2.95 0.00 0.00 42.46 42.51 1xsc s ILE 21 CO 0.00 0.10 1.18 -2.84 -1.79 0.00 0.00 174.94 171.59 1xsc s PRO 22 N -2.36 2.67 0.00 0.37 0.02 -1.26 -5.01 135.00 129.44 1xsc s PRO 22 Ca 0.26 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1xsc s PRO 22 Cb -0.11 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1xsc s PRO 22 CO 0.18 -1.41 0.00 1.63 -0.33 0.00 0.00 177.00 177.07 1xsc n LYS 23 N -2.13 0.00 0.00 5.54 5.02 -1.26 -4.88 118.16 120.46 1xsc n LYS 23 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1xsc n LYS 23 Cb 0.50 0.00 0.37 0.00 -0.02 0.00 0.00 35.03 35.89 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsc n VAL 24 N -1.18 0.00 -1.69 -0.18 0.31 -1.26 -4.93 118.33 109.40 1xsc n VAL 24 Ca 0.00 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 1xsc n VAL 24 Cb 0.00 0.03 -0.05 0.00 -0.91 0.00 0.00 33.84 32.90 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsc n ASP 25 N -1.46 -4.89 0.00 4.52 8.00 -1.26 -4.93 116.55 116.53 1xsc n ASP 25 Ca 0.06 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1xsc n ASP 25 Cb 0.33 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsc n ASN 26 N -0.71 0.00 0.00 -2.24 2.85 -1.26 -4.87 115.26 109.03 1xsc n ASN 26 Ca -0.17 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1xsc n ASN 26 Cb 0.56 -0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1xsc n ASN 26 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1xsc n ASN 27 N -0.67 4.06 0.00 1.20 6.94 -1.26 -5.02 115.26 120.51 1xsc n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1xsc n ASN 27 Cb 0.00 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsc n ALA 28 N -1.86 0.00 -2.86 -2.53 0.00 -1.26 -4.85 120.51 107.15 1xsc n ALA 28 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1xsc n ALA 28 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 5.02 0.45 0.00 1.01 -1.26 -3.98 121.20 122.43 1xsc s ILE 29 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1xsc s ILE 29 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1xsc s ILE 29 CO 0.00 0.15 0.11 -1.61 0.00 0.00 0.00 174.94 173.59 1xsc s GLU 30 N -2.42 2.14 -0.04 2.79 8.01 -1.14 -4.37 118.70 123.67 1xsc s GLU 30 Ca 0.32 -2.06 0.01 0.00 0.01 0.00 0.00 54.97 53.24 1xsc s GLU 30 Cb -0.13 -1.79 0.02 0.00 -4.31 0.00 0.00 34.13 27.93 1xsc s GLU 30 CO 0.25 -0.20 -0.03 -0.06 0.01 0.00 0.00 175.26 175.23 1xsc s PHE 31 N -2.71 0.65 0.15 1.61 0.08 0.41 -2.50 117.98 115.67 1xsc s PHE 31 Ca 0.31 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.89 1xsc s PHE 31 Cb 0.05 -0.62 -0.08 0.00 -0.57 0.00 0.00 43.02 41.80 1xsc s PHE 31 CO 0.17 -0.19 1.25 -1.17 -0.10 0.00 0.00 175.22 175.18 1xsc s LEU 32 N 0.99 4.41 0.02 -0.37 2.96 -0.66 -2.76 118.68 123.27 1xsc s LEU 32 Ca -0.10 2.23 0.03 0.00 -0.22 0.00 0.00 54.13 56.07 1xsc s LEU 32 Cb -0.14 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1xsc s LEU 32 CO -0.01 -0.46 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.71 1xsc s LEU 33 N 0.27 2.13 -0.25 -0.68 1.43 0.09 -4.42 118.68 117.26 1xsc s LEU 33 Ca 0.57 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1xsc s LEU 33 Cb -0.33 -0.35 0.06 0.00 0.03 0.00 0.00 46.19 45.60 1xsc s LEU 33 CO 0.34 -0.02 -0.07 -0.76 0.23 0.00 0.00 176.35 176.07 1xsc s LEU 34 N -0.87 2.95 0.37 1.79 1.43 -0.15 0.02 118.68 124.21 1xsc s LEU 34 Ca -0.02 -1.29 -0.26 0.00 -1.03 0.00 0.00 54.13 51.54 1xsc s LEU 34 Cb -0.06 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 1xsc s LEU 34 CO 0.00 -0.22 1.12 -1.58 0.23 0.00 0.00 176.35 175.91 1xsc s GLN 35 N 1.27 4.25 1.38 1.70 0.74 0.26 -1.77 119.66 127.49 1xsc s GLN 35 Ca -0.07 1.76 -0.21 0.00 0.05 0.00 0.00 55.36 56.89 1xsc s GLN 35 Cb -0.19 -2.79 0.35 0.00 1.10 0.00 0.00 33.01 31.48 1xsc s GLN 35 CO -0.06 -0.13 0.94 0.00 -0.55 0.00 0.00 175.29 175.49 1xsc s ALA 36 N -1.40 -0.81 -0.88 1.58 0.00 -0.33 -1.84 121.76 118.08 1xsc s ALA 36 Ca 0.54 -0.65 0.18 0.00 0.00 0.00 0.00 51.96 52.03 1xsc s ALA 36 Cb -0.29 -3.02 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 1xsc s ALA 36 CO 0.37 -4.51 0.76 -1.13 0.00 0.00 0.00 175.76 171.25 1xsc n SER 37 N -5.54 0.88 -1.61 0.00 3.41 -1.26 -3.72 113.62 105.78 1xsc n SER 37 Ca 0.10 -0.94 -0.02 0.00 -0.26 0.00 0.00 58.87 57.75 1xsc n SER 37 Cb 0.59 0.97 0.01 0.00 -0.26 0.00 0.00 64.21 65.52 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xsc n ASP 38 N -1.35 -0.61 0.00 4.04 10.43 -1.26 -4.96 116.55 122.84 1xsc n ASP 38 Ca 0.04 -1.38 0.00 0.00 2.57 0.00 0.00 54.79 56.01 1xsc n ASP 38 Cb 0.28 1.01 0.00 0.00 1.84 0.00 0.00 41.12 44.25 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xsc n GLY 39 N -0.19 1.94 0.32 0.44 0.00 -1.26 -2.73 105.19 103.71 1xsc n GLY 39 Ca -0.02 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.69 1xsc n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsc n ILE 40 N 0.00 0.00 -2.32 -0.61 3.06 -1.26 -4.93 119.36 113.30 1xsc n ILE 40 Ca 0.00 -0.17 -0.18 0.00 -2.50 0.00 0.00 62.75 59.91 1xsc n ILE 40 Cb 0.00 0.45 -0.01 0.00 0.54 0.00 0.00 39.64 40.62 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsc n HIS 41 N -0.40 -0.83 -1.50 9.51 8.25 -1.10 -4.94 115.22 124.20 1xsc n HIS 41 Ca 0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.24 1xsc n HIS 41 Cb 0.35 -3.54 0.08 0.00 1.12 0.00 0.00 29.99 28.00 1xsc n HIS 41 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xsc n HIS 42 N -3.98 1.08 -4.15 4.41 1.44 -1.26 -4.25 115.22 108.51 1xsc n HIS 42 Ca -0.21 0.41 -0.35 0.00 -2.01 0.00 0.00 57.72 55.56 1xsc n HIS 42 Cb 0.66 -2.14 -0.08 0.00 0.12 0.00 0.00 29.99 28.55 1xsc n HIS 42 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xsc s TRP 43 N -1.65 3.35 -0.24 -1.40 0.52 -1.25 -1.19 118.94 117.08 1xsc s TRP 43 Ca 0.77 0.32 -0.26 0.00 0.02 0.00 0.00 56.10 56.95 1xsc s TRP 43 Cb -0.37 -1.84 0.09 0.00 -1.15 0.00 0.00 33.47 30.21 1xsc s TRP 43 CO 0.47 0.58 0.84 0.95 0.02 0.00 0.00 176.95 179.81 1xsc s THR 44 N -0.99 0.00 1.06 2.01 -4.23 -0.73 -4.37 115.64 108.39 1xsc s THR 44 Ca 0.16 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 1xsc s THR 44 Cb -0.12 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 72.95 1xsc s THR 44 CO 0.05 0.00 1.07 -2.16 -0.54 0.00 0.00 174.62 173.04 1xsc s PRO 45 N 0.05 -0.06 -0.56 3.99 0.04 -1.26 -0.98 135.00 136.22 1xsc s PRO 45 Ca -0.00 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 61.39 1xsc s PRO 45 Cb -0.04 -1.67 -0.12 0.00 0.04 0.00 0.00 34.50 32.71 1xsc s PRO 45 CO -0.01 -3.10 2.40 -2.30 0.04 0.00 0.00 177.00 174.03 1xsc n PRO 46 N -4.46 0.82 -3.53 0.56 -0.02 -1.26 -4.80 135.00 122.32 1xsc n PRO 46 Ca 0.04 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 1xsc n PRO 46 Cb 0.56 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 1xsc n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsc s LYS 47 N 7.65 4.09 0.41 -0.52 1.02 -1.26 -2.68 119.74 128.44 1xsc s LYS 47 Ca 1.12 -0.08 0.07 0.00 0.02 0.00 0.00 55.97 57.10 1xsc s LYS 47 Cb -0.70 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.01 1xsc s LYS 47 CO 0.40 -0.03 0.25 0.20 -0.92 0.00 0.00 175.35 175.25 1xsc s GLY 48 N 1.18 2.24 -0.32 -3.33 0.00 0.13 -4.90 107.32 102.34 1xsc s GLY 48 Ca 0.12 -2.02 0.02 0.00 0.00 0.00 0.00 44.72 42.84 1xsc s GLY 48 CO 0.07 -1.83 0.01 -1.58 0.00 0.00 0.00 173.10 169.77 1xsc s HIS 49 N -2.54 3.50 0.02 1.90 2.46 -1.26 -0.23 115.29 119.14 1xsc s HIS 49 Ca 0.43 -2.53 -0.30 0.00 0.47 0.00 0.00 55.06 53.13 1xsc s HIS 49 Cb 0.01 -2.51 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 1xsc s HIS 49 CO 0.24 -0.91 1.12 0.54 -2.47 0.00 0.00 174.74 173.26 1xsc s VAL 50 N 1.05 4.38 0.72 0.89 0.11 -0.41 -4.91 120.40 122.24 1xsc s VAL 50 Ca 0.02 1.70 -0.01 0.00 -2.93 0.00 0.00 61.98 60.76 1xsc s VAL 50 Cb -0.20 -4.09 0.12 0.00 -1.53 0.00 0.00 36.38 30.68 1xsc s VAL 50 CO -0.05 0.11 1.00 -1.83 -3.33 0.00 0.00 175.10 170.99 1xsc s GLU 51 N 1.21 1.68 0.10 1.54 -1.05 -1.26 -4.44 118.70 116.48 1xsc s GLU 51 Ca 0.56 -1.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.03 1xsc s GLU 51 Cb -0.26 -2.32 -0.12 0.00 -0.44 0.00 0.00 34.13 30.99 1xsc s GLU 51 CO 0.28 -1.45 1.65 -1.35 0.95 0.00 0.00 175.26 175.34 1xsc h PRO 52 N -0.54 -0.48 -0.11 -4.83 0.11 -1.99 -2.69 132.00 121.47 1xsc h PRO 52 Ca -0.37 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xsc h PRO 52 Cb 1.27 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1xsc h PRO 52 CO 0.41 -0.32 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 1xsc n GLY 53 N -1.36 -0.07 3.93 -0.55 0.00 -1.26 -4.90 105.19 100.98 1xsc n GLY 53 Ca -0.08 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.87 1.98 0.25 1.61 2.12 -1.02 -5.09 118.70 116.69 1xsc s GLU 54 Ca 0.32 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.40 1xsc s GLU 54 Cb 0.17 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 1xsc s GLU 54 CO 0.26 -1.42 0.43 0.34 -0.54 0.00 0.00 175.26 174.33 1xsc s ASP 55 N -4.58 6.34 -0.01 -1.70 2.15 -1.26 -4.77 116.67 112.84 1xsc s ASP 55 Ca 0.62 0.32 -0.10 0.00 0.43 0.00 0.00 52.55 53.82 1xsc s ASP 55 Cb -0.10 -1.97 -0.05 0.00 -0.30 0.00 0.00 42.92 40.50 1xsc s ASP 55 CO 0.46 -0.12 0.64 0.44 -0.17 0.00 0.00 175.17 176.42 1xsc h ASP 56 N 1.40 -0.29 -0.59 -0.34 5.19 -1.98 -2.97 116.42 116.83 1xsc h ASP 56 Ca -0.50 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.90 1xsc h ASP 56 Cb 1.21 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1xsc h ASP 56 CO 0.64 -0.08 0.26 0.25 -3.12 0.00 0.00 179.24 177.19 1xsc h LEU 57 N -0.60 0.79 -0.86 1.55 5.85 -1.96 -2.74 115.31 117.33 1xsc h LEU 57 Ca -0.04 -0.15 0.19 0.00 0.84 0.00 0.00 57.88 58.73 1xsc h LEU 57 Cb 0.27 -0.20 -0.11 0.00 0.37 0.00 0.00 40.66 40.98 1xsc h LEU 57 CO 0.06 0.72 0.37 -0.33 -0.34 0.00 0.00 178.44 178.92 1xsc h GLU 58 N 0.81 0.43 -0.52 1.25 3.07 -1.98 1.07 114.58 118.71 1xsc h GLU 58 Ca 0.20 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1xsc h GLU 58 Cb 0.16 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1xsc h GLU 58 CO -0.02 0.28 0.30 1.15 -1.40 0.00 0.00 179.01 179.33 1xsc h THR 59 N 0.44 1.04 -0.00 1.13 2.02 -1.32 1.46 112.91 117.69 1xsc h THR 59 Ca 0.51 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.39 1xsc h THR 59 Cb 0.90 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1xsc h THR 59 CO -0.48 0.11 -0.45 0.00 0.37 0.00 0.00 175.52 175.07 1xsc h ALA 60 N 1.23 1.25 0.07 6.16 0.00 -0.08 0.03 119.26 127.92 1xsc h ALA 60 Ca 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xsc h ALA 60 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xsc h ALA 60 CO -0.10 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.61 1xsc h LEU 61 N 0.00 -0.08 -0.80 0.00 3.38 0.26 -2.38 115.31 115.70 1xsc h LEU 61 Ca -0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1xsc h LEU 61 Cb 0.80 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1xsc h LEU 61 CO 0.06 0.53 0.50 -0.09 0.09 0.00 0.00 178.44 179.53 1xsc h ARG 62 N -0.74 1.08 -0.88 1.13 2.43 0.20 -1.92 114.38 115.68 1xsc h ARG 62 Ca -0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1xsc h ARG 62 Cb 0.60 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1xsc h ARG 62 CO 0.02 0.75 0.49 0.00 -1.51 0.00 0.00 179.97 179.72 1xsc h ALA 63 N 1.27 1.21 -0.36 2.80 0.00 -1.05 1.01 119.26 124.14 1xsc h ALA 63 Ca 0.29 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xsc h ALA 63 Cb -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 1xsc h ALA 63 CO -0.06 0.65 0.18 1.15 0.00 0.00 0.00 179.25 181.17 1xsc h THR 64 N 1.23 0.98 0.00 0.00 2.02 -0.81 1.12 112.91 117.45 1xsc h THR 64 Ca 0.31 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.26 1xsc h THR 64 Cb 0.01 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1xsc h THR 64 CO -0.05 0.07 -0.52 0.06 0.37 0.00 0.00 175.52 175.45 1xsc h GLN 65 N 0.37 0.00 0.00 6.66 3.07 0.89 1.34 115.11 127.44 1xsc h GLN 65 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.71 1xsc h GLN 65 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 1xsc h GLN 65 CO -0.11 0.51 -0.89 0.93 0.09 0.00 0.00 178.83 179.36 1xsc h GLU 66 N 0.00 0.00 0.00 0.06 5.08 0.17 0.12 114.58 120.01 1xsc h GLU 66 Ca -0.01 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1xsc h GLU 66 Cb 1.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 1xsc h GLU 66 CO 0.07 0.89 -1.79 0.39 -1.00 0.00 0.00 179.01 177.58 1xsc n GLU 67 N -3.48 1.51 0.00 2.33 -0.58 0.38 -4.15 120.64 116.64 1xsc n GLU 67 Ca -0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1xsc n GLU 67 Cb 0.85 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsc n ALA 68 N -2.32 1.91 -0.11 0.62 0.00 0.45 -3.22 120.51 117.84 1xsc n ALA 68 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1xsc n ALA 68 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 0.72 2.70 3.76 0.00 0.00 0.41 0.15 105.19 112.93 1xsc n GLY 69 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.06 5.19 0.41 -0.61 1.01 -1.14 -4.66 121.20 118.35 1xsc s ILE 70 Ca 0.00 0.77 0.07 0.00 0.00 0.00 0.00 60.65 61.49 1xsc s ILE 70 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 1xsc s ILE 70 CO 0.00 0.42 0.11 -1.83 0.00 0.00 0.00 174.94 173.63 1xsc s GLU 71 N 0.12 2.11 0.34 2.79 -1.05 -1.26 0.72 118.70 122.47 1xsc s GLU 71 Ca 0.22 -1.97 0.14 0.00 -0.15 0.00 0.00 54.97 53.21 1xsc s GLU 71 Cb -0.15 -1.83 1.02 0.00 -0.44 0.00 0.00 34.13 32.73 1xsc s GLU 71 CO 0.09 -0.10 1.70 0.00 0.95 0.00 0.00 175.26 177.90 1xsc h ALA 72 N 1.56 1.95 0.00 -0.84 0.00 -1.88 1.34 119.26 121.39 1xsc h ALA 72 Ca -0.43 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1xsc h ALA 72 Cb 1.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xsc h ALA 72 CO 0.75 -0.49 -0.05 0.78 0.00 0.00 0.00 179.25 180.24 1xsc h GLY 73 N 0.42 0.00 -1.23 0.00 0.00 -1.99 -2.01 103.07 98.26 1xsc h GLY 73 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1xsc h GLY 73 CO -0.52 0.00 -0.33 -0.18 0.00 0.00 0.00 176.54 175.51 1xsc n GLN 74 N -3.27 1.55 -2.22 4.80 -0.06 0.45 -4.94 117.38 113.68 1xsc n GLN 74 Ca -0.01 -1.24 -0.02 0.00 -2.00 0.00 0.00 57.00 53.72 1xsc n GLN 74 Cb 0.22 -1.45 -0.01 0.00 -4.06 0.00 0.00 30.24 24.94 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsc n LEU 75 N 0.36 0.00 -3.61 1.69 -0.00 -0.48 0.20 117.00 115.16 1xsc n LEU 75 Ca 0.10 -0.30 -0.29 0.00 -0.00 0.00 0.00 56.01 55.52 1xsc n LEU 75 Cb 0.49 0.11 -0.15 0.00 -0.00 0.00 0.00 43.42 43.88 1xsc n LEU 75 CO 0.24 -0.05 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.37 1xsc s THR 76 N -1.79 0.40 0.07 1.47 2.01 0.22 -4.76 115.64 113.26 1xsc s THR 76 Ca 0.02 -1.22 -0.31 0.00 0.31 0.00 0.00 61.69 60.50 1xsc s THR 76 Cb 0.00 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.13 1xsc s THR 76 CO 0.02 -0.75 1.42 -0.63 -0.69 0.00 0.00 174.62 173.98 1xsc s ILE 77 N 1.69 3.43 -0.02 1.82 -1.09 -1.26 -1.84 121.20 123.93 1xsc s ILE 77 Ca 0.11 0.95 -0.16 0.00 -2.23 0.00 0.00 60.65 59.32 1xsc s ILE 77 Cb -0.18 -3.61 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1xsc s ILE 77 CO -0.26 0.04 0.44 -0.63 -1.23 0.00 0.00 174.94 173.31 1xsc s ILE 78 N 1.69 5.02 0.12 2.92 1.09 0.38 -4.96 121.20 127.45 1xsc s ILE 78 Ca 0.65 0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 61.10 1xsc s ILE 78 Cb -0.35 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 1xsc s ILE 78 CO 0.29 0.52 0.30 -1.61 -0.10 0.00 0.00 174.94 174.35 1xsc s GLU 79 N -0.71 3.51 0.00 2.79 2.02 -1.26 -4.38 118.70 120.67 1xsc s GLU 79 Ca 0.25 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1xsc s GLU 79 Cb -0.17 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1xsc s GLU 79 CO 0.13 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1xsc n GLY 80 N -0.03 2.55 3.33 -1.39 0.00 -1.26 -5.01 105.19 103.37 1xsc n GLY 80 Ca -0.04 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.37 3.29 -0.06 1.61 2.19 -1.26 -5.04 117.98 116.34 1xsc s PHE 81 Ca 0.00 -1.24 -0.01 0.00 0.33 0.00 0.00 56.93 56.01 1xsc s PHE 81 Cb 0.00 -3.04 0.03 0.00 -1.31 0.00 0.00 43.02 38.70 1xsc s PHE 81 CO 0.00 -0.82 -0.00 0.21 1.83 0.00 0.00 175.22 176.44 1xsc s LYS 82 N 1.53 0.59 0.01 10.12 2.20 -1.26 -4.51 119.74 128.42 1xsc s LYS 82 Ca 0.03 0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.71 1xsc s LYS 82 Cb -0.23 -0.89 -0.01 0.00 -1.51 0.00 0.00 37.83 35.18 1xsc s LYS 82 CO 0.04 -0.25 0.01 1.03 -0.36 0.00 0.00 175.35 175.81 1xsc s ARG 83 N 1.73 0.29 -0.07 4.03 1.81 -1.22 -5.01 118.95 120.52 1xsc s ARG 83 Ca 0.01 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1xsc s ARG 83 Cb -0.13 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.51 1xsc s ARG 83 CO -0.04 -0.05 -0.05 -1.83 -0.68 0.00 0.00 175.30 172.65 1xsc s GLU 84 N -1.20 1.01 -0.32 3.54 1.03 -1.25 0.11 118.70 121.62 1xsc s GLU 84 Ca -0.13 -0.12 -0.19 0.00 0.03 0.00 0.00 54.97 54.56 1xsc s GLU 84 Cb -0.08 -1.08 -0.01 0.00 -0.80 0.00 0.00 34.13 32.16 1xsc s GLU 84 CO -0.00 -0.16 0.57 -0.51 -1.33 0.00 0.00 175.26 173.82 1xsc s LEU 85 N 1.31 4.21 -0.12 1.83 1.43 0.27 -4.68 118.68 122.92 1xsc s LEU 85 Ca -0.04 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1xsc s LEU 85 Cb -0.14 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1xsc s LEU 85 CO -0.02 -0.46 -0.18 0.54 0.23 0.00 0.00 176.35 176.46 1xsc s ASN 86 N 1.69 3.59 -0.25 2.29 2.20 -1.25 0.72 114.94 123.93 1xsc s ASN 86 Ca 0.22 -0.43 -0.26 0.00 -0.94 0.00 0.00 52.86 51.45 1xsc s ASN 86 Cb -0.15 -1.52 0.11 0.00 -2.00 0.00 0.00 41.25 37.69 1xsc s ASN 86 CO 0.12 0.16 0.97 -0.72 -2.94 0.00 0.00 177.10 174.70 1xsc s TYR 87 N 0.35 -0.51 -0.44 1.54 -0.85 -1.14 -4.90 117.35 111.41 1xsc s TYR 87 Ca -0.15 1.19 -0.28 0.00 -0.52 0.00 0.00 57.07 57.31 1xsc s TYR 87 Cb -0.17 0.36 0.03 0.00 0.38 0.00 0.00 41.96 42.56 1xsc s TYR 87 CO 0.07 -0.28 1.04 0.54 -1.52 0.00 0.00 175.55 175.40 1xsc s VAL 88 N 0.01 4.37 0.00 -3.49 0.11 -1.26 -0.89 120.40 119.25 1xsc s VAL 88 Ca 0.02 1.15 0.00 0.00 -2.93 0.00 0.00 61.98 60.21 1xsc s VAL 88 Cb -0.04 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.31 1xsc s VAL 88 CO -0.04 -0.83 0.06 0.00 -3.33 0.00 0.00 175.10 170.96 1xsc n ALA 89 N 7.39 0.00 0.05 1.54 0.00 -1.16 -4.71 120.51 123.62 1xsc n ALA 89 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1xsc n ALA 89 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 0.29 0.00 0.00 -0.00 -2.04 -3.45 114.38 109.18 1xsc h ARG 90 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1xsc h ARG 90 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 29.97 30.15 1xsc h ARG 90 CO 0.00 1.16 0.00 -1.71 -0.00 0.00 0.00 179.97 179.42 1xsc n ASN 91 N -3.47 0.00 -3.66 0.08 5.15 -1.26 -5.14 115.26 106.96 1xsc n ASN 91 Ca -0.22 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.70 1xsc n ASN 91 Cb 1.06 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 40.23 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 0.43 -0.13 1.20 2.47 -1.26 -5.09 119.74 117.36 1xsc s LYS 92 Ca 0.00 1.18 -0.29 0.00 -1.56 0.00 0.00 55.97 55.29 1xsc s LYS 92 Cb 0.00 0.50 -0.04 0.00 -1.46 0.00 0.00 37.83 36.83 1xsc s LYS 92 CO 0.00 -0.23 1.61 -1.25 0.16 0.00 0.00 175.35 175.64 1xsc s PRO 93 N 2.62 4.02 -0.34 4.03 0.04 -1.26 -2.98 135.00 141.13 1xsc s PRO 93 Ca -0.04 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 1xsc s PRO 93 Cb -0.12 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.42 1xsc s PRO 93 CO -0.15 -1.03 0.23 0.15 0.04 0.00 0.00 177.00 176.24 1xsc s LYS 94 N 4.27 3.48 -0.23 4.56 -0.14 -0.06 0.72 119.74 132.34 1xsc s LYS 94 Ca 0.71 -0.65 -0.23 0.00 -1.36 0.00 0.00 55.97 54.44 1xsc s LYS 94 Cb -0.29 -3.77 -0.01 0.00 -1.68 0.00 0.00 37.83 32.08 1xsc s LYS 94 CO 0.28 -0.44 0.77 0.99 -0.76 0.00 0.00 175.35 176.19 1xsc s THR 95 N 1.71 4.89 -0.30 2.17 2.01 0.16 -2.90 115.64 123.38 1xsc s THR 95 Ca 0.06 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.51 1xsc s THR 95 Cb -0.17 -4.06 0.06 0.00 0.01 0.00 0.00 72.50 68.34 1xsc s THR 95 CO 0.10 -0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.31 1xsc s VAL 96 N 2.60 2.70 -0.13 3.82 1.01 0.22 0.34 120.40 130.96 1xsc s VAL 96 Ca 0.33 -1.61 -0.25 0.00 0.00 0.00 0.00 61.98 60.44 1xsc s VAL 96 Cb -0.16 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1xsc s VAL 96 CO 0.08 -0.18 0.81 -0.63 0.00 0.00 0.00 175.10 175.18 1xsc s ILE 97 N 1.16 4.92 -0.13 2.22 -1.09 -0.86 0.96 121.20 128.38 1xsc s ILE 97 Ca -0.04 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.00 1xsc s ILE 97 Cb -0.20 -4.13 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 1xsc s ILE 97 CO -0.03 0.09 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.34 1xsc s TYR 98 N 1.74 2.84 0.22 3.97 2.02 0.31 0.17 117.35 128.62 1xsc s TYR 98 Ca 0.39 -0.54 0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1xsc s TYR 98 Cb -0.17 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1xsc s TYR 98 CO 0.15 -0.15 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.32 1xsc s TRP 99 N 0.26 2.60 -0.38 2.71 0.51 -1.23 -3.45 118.94 119.97 1xsc s TRP 99 Ca -0.08 -0.24 -0.19 0.00 -2.12 0.00 0.00 56.10 53.47 1xsc s TRP 99 Cb -0.15 -1.21 0.01 0.00 -0.81 0.00 0.00 33.47 31.30 1xsc s TRP 99 CO 0.05 0.57 0.55 -0.51 -0.51 0.00 0.00 176.95 177.10 1xsc s LEU 100 N -3.17 4.43 0.09 2.99 1.43 -1.26 0.11 118.68 123.30 1xsc s LEU 100 Ca 0.27 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1xsc s LEU 100 Cb -0.08 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1xsc s LEU 100 CO 0.16 -0.58 -0.21 0.00 0.23 0.00 0.00 176.35 175.95 1xsc s ALA 101 N 2.51 1.82 -0.17 4.21 0.00 0.70 0.14 121.76 130.97 1xsc s ALA 101 Ca 0.20 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1xsc s ALA 101 Cb -0.15 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1xsc s ALA 101 CO 0.15 0.38 -0.14 -2.00 0.00 0.00 0.00 175.76 174.14 1xsc s GLU 102 N -1.76 2.35 0.14 0.00 -6.30 -0.77 0.28 118.70 112.64 1xsc s GLU 102 Ca 0.07 -0.73 -0.30 0.00 -2.50 0.00 0.00 54.97 51.50 1xsc s GLU 102 Cb -0.10 -2.32 -0.07 0.00 0.00 0.00 0.00 34.13 31.64 1xsc s GLU 102 CO 0.04 -0.30 1.25 0.14 0.02 0.00 0.00 175.26 176.41 1xsc s VAL 103 N 1.41 3.59 0.40 3.70 -7.23 -1.24 0.73 120.40 121.76 1xsc s VAL 103 Ca 0.03 1.23 0.38 0.00 -1.81 0.00 0.00 61.98 61.81 1xsc s VAL 103 Cb -0.14 -3.79 0.40 0.00 0.56 0.00 0.00 36.38 33.41 1xsc s VAL 103 CO -0.10 0.15 2.18 0.11 -0.31 0.00 0.00 175.10 177.12 1xsc h LYS 104 N 5.98 0.00 -5.01 4.82 1.79 -0.56 -3.41 116.57 120.18 1xsc h LYS 104 Ca -0.43 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.38 1xsc h LYS 104 Cb 1.21 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.59 1xsc h LYS 104 CO 0.79 0.02 -0.72 0.34 -1.08 0.00 0.00 179.45 178.79 1xsc s ASP 105 N -5.51 4.30 0.31 0.86 3.68 -1.26 -4.98 116.67 114.06 1xsc s ASP 105 Ca -0.02 -0.38 -0.00 0.00 2.13 0.00 0.00 52.55 54.27 1xsc s ASP 105 Cb 0.11 -1.74 0.50 0.00 -1.45 0.00 0.00 42.92 40.35 1xsc s ASP 105 CO 0.49 -0.01 1.95 0.22 0.13 0.00 0.00 175.17 177.95 1xsc h TYR 106 N 8.03 1.01 -0.60 -5.34 3.20 -1.98 -0.79 116.97 120.51 1xsc h TYR 106 Ca -0.41 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.26 1xsc h TYR 106 Cb 1.16 -0.34 -0.14 0.00 1.54 0.00 0.00 36.73 38.96 1xsc h TYR 106 CO 0.58 0.60 0.20 -0.25 -1.64 0.00 0.00 178.16 177.65 1xsc n ASP 107 N -4.44 3.81 -4.34 -2.11 8.00 -1.26 -5.03 116.55 111.17 1xsc n ASP 107 Ca 0.11 -3.42 -0.39 0.00 0.71 0.00 0.00 54.79 51.80 1xsc n ASP 107 Cb 0.10 -0.70 0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsc n VAL 108 N -0.68 0.94 -2.28 2.53 3.14 -0.30 -4.87 118.33 116.81 1xsc n VAL 108 Ca 0.39 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.88 1xsc n VAL 108 Cb 1.26 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 33.76 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 -1.37 4.16 -0.35 1.45 1.03 -1.26 -5.01 118.70 117.35 1xsc s GLU 109 Ca 0.61 1.90 0.04 0.00 0.03 0.00 0.00 54.97 57.56 1xsc s GLU 109 Cb -0.52 -2.80 0.10 0.00 -0.80 0.00 0.00 34.13 30.12 1xsc s GLU 109 CO 0.61 -0.24 0.06 0.42 -1.33 0.00 0.00 175.26 174.78 1xsc s ILE 110 N -1.34 2.27 -0.55 1.83 -1.09 -1.25 -4.40 121.20 116.68 1xsc s ILE 110 Ca 0.54 -2.37 -0.17 0.00 -2.23 0.00 0.00 60.65 56.43 1xsc s ILE 110 Cb -0.32 -2.68 0.12 0.00 -1.58 0.00 0.00 42.46 37.99 1xsc s ILE 110 CO 0.41 -0.61 0.54 -0.13 -1.23 0.00 0.00 174.94 173.93 1xsc s ARG 111 N 0.87 3.00 0.31 2.79 0.52 0.12 -4.89 118.95 121.67 1xsc s ARG 111 Ca 0.11 -1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 53.66 1xsc s ARG 111 Cb -0.19 -4.28 -0.06 0.00 0.52 0.00 0.00 34.95 30.94 1xsc s ARG 111 CO -0.08 -1.36 0.61 -0.51 0.02 0.00 0.00 175.30 173.99 1xsc s LEU 112 N 1.85 4.02 0.00 2.53 1.43 -1.20 -2.48 118.68 124.84 1xsc s LEU 112 Ca 0.05 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1xsc s LEU 112 Cb -0.28 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1xsc s LEU 112 CO 0.04 -0.22 0.00 -1.54 0.23 0.00 0.00 176.35 174.86 1xsc n SER 113 N -0.86 1.38 0.00 2.29 3.41 -1.26 -4.97 113.62 113.60 1xsc n SER 113 Ca -0.00 -0.68 0.06 0.00 -0.26 0.00 0.00 58.87 57.99 1xsc n SER 113 Cb 0.54 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.86 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xsc n HIS 114 N -0.21 0.00 -0.00 7.33 8.25 -1.26 -2.09 115.22 127.23 1xsc n HIS 114 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1xsc n HIS 114 Cb 0.00 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.07 0.63 -4.72 -0.41 1.02 -1.26 -4.90 120.64 109.93 1xsc n GLU 115 Ca 0.09 0.22 -0.24 0.00 -0.02 0.00 0.00 57.16 57.21 1xsc n GLU 115 Cb 0.06 -1.77 -0.15 0.00 -0.02 0.00 0.00 31.44 29.56 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 -2.77 1.51 -0.25 -0.32 3.76 -0.89 -4.42 115.29 111.90 1xsc s HIS 116 Ca -0.04 -0.30 0.21 0.00 -0.15 0.00 0.00 55.06 54.77 1xsc s HIS 116 Cb 0.08 -0.95 -0.30 0.00 1.11 0.00 0.00 32.58 32.52 1xsc s HIS 116 CO 0.82 -0.00 0.56 0.94 -0.85 0.00 0.00 174.74 176.21 1xsc n GLN 117 N 2.46 0.54 -3.75 1.40 -0.06 -0.77 -4.15 117.38 113.05 1xsc n GLN 117 Ca -0.15 -0.15 -0.04 0.00 -2.00 0.00 0.00 57.00 54.66 1xsc n GLN 117 Cb 0.54 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 25.21 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xsc s ALA 118 N -3.35 -1.65 0.27 1.69 0.00 -1.18 -5.01 121.76 112.53 1xsc s ALA 118 Ca -0.04 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1xsc s ALA 118 Cb 0.14 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1xsc s ALA 118 CO 0.87 -1.03 0.22 1.52 0.00 0.00 0.00 175.76 177.35 1xsc s TYR 119 N -3.30 1.45 0.18 0.00 1.13 -1.26 0.92 117.35 116.48 1xsc s TYR 119 Ca 0.12 -1.51 -0.23 0.00 -1.41 0.00 0.00 57.07 54.04 1xsc s TYR 119 Cb -0.01 -0.61 0.06 0.00 -1.10 0.00 0.00 41.96 40.29 1xsc s TYR 119 CO 0.02 -0.78 0.66 1.03 -2.51 0.00 0.00 175.55 173.97 1xsc s ARG 120 N -3.76 1.40 -0.24 -3.49 0.52 0.10 -4.87 118.95 108.60 1xsc s ARG 120 Ca 0.39 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1xsc s ARG 120 Cb 0.04 0.58 0.07 0.00 0.52 0.00 0.00 34.95 36.16 1xsc s ARG 120 CO 0.20 -0.62 0.00 -1.58 0.02 0.00 0.00 175.30 173.32 1xsc s TRP 121 N -3.75 1.99 0.16 -0.53 0.52 -1.26 -0.73 118.94 115.34 1xsc s TRP 121 Ca 0.04 -1.58 -0.04 0.00 0.02 0.00 0.00 56.10 54.54 1xsc s TRP 121 Cb -0.02 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.73 1xsc s TRP 121 CO -0.07 -0.76 0.15 -0.51 0.02 0.00 0.00 176.95 175.78 1xsc s LEU 122 N 1.53 1.36 0.00 2.99 1.02 -1.11 -4.84 118.68 119.63 1xsc s LEU 122 Ca -0.01 -1.16 0.00 0.00 0.02 0.00 0.00 54.13 52.98 1xsc s LEU 122 Cb -0.18 0.61 0.00 0.00 0.02 0.00 0.00 46.19 46.64 1xsc s LEU 122 CO -0.10 -0.82 0.00 0.61 0.02 0.00 0.00 176.35 176.06 1xsc n GLY 123 N -0.18 -0.59 0.10 -3.19 0.00 -1.26 0.15 105.19 100.23 1xsc n GLY 123 Ca -0.04 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 0.25 -0.00 0.99 5.85 -1.92 -2.11 115.31 118.38 1xsc h LEU 124 Ca 0.00 -0.83 0.02 0.00 0.84 0.00 0.00 57.88 57.91 1xsc h LEU 124 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1xsc h LEU 124 CO 0.00 1.06 -0.12 1.05 -0.34 0.00 0.00 178.44 180.08 1xsc h GLU 125 N -0.52 -0.20 -0.05 1.25 4.11 -1.97 0.13 114.58 117.33 1xsc h GLU 125 Ca -0.05 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1xsc h GLU 125 Cb 1.12 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1xsc h GLU 125 CO 0.06 -0.13 -0.03 0.93 0.07 0.00 0.00 179.01 179.91 1xsc h GLU 126 N -0.21 0.11 -0.49 1.06 3.07 -1.92 0.32 114.58 116.52 1xsc h GLU 126 Ca 0.04 -0.05 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 1xsc h GLU 126 Cb 0.26 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1xsc h GLU 126 CO -0.12 0.52 0.38 0.00 -1.40 0.00 0.00 179.01 178.38 1xsc h ALA 127 N 0.58 2.41 0.05 3.43 0.00 -1.29 0.29 119.26 124.73 1xsc h ALA 127 Ca 0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1xsc h ALA 127 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xsc h ALA 127 CO 0.01 -0.63 -1.41 0.00 0.00 0.00 0.00 179.25 177.22 1xsc h GLN 129 N 0.03 0.69 0.07 0.00 -0.00 0.31 -3.14 115.11 113.07 1xsc h GLN 129 Ca -0.18 -0.24 -0.21 0.00 -0.00 0.00 0.00 58.65 58.02 1xsc h GLN 129 Cb 1.94 -0.05 0.02 0.00 -0.00 0.00 0.00 27.48 29.38 1xsc h GLN 129 CO 0.13 0.81 -0.86 -0.07 -0.00 0.00 0.00 178.83 178.84 1xsc h LEU 130 N 0.50 0.64 -4.23 0.06 3.38 -1.11 -3.27 115.31 111.28 1xsc h LEU 130 Ca 0.10 -0.82 -0.27 0.00 0.09 0.00 0.00 57.88 56.98 1xsc h LEU 130 Cb 0.52 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1xsc h LEU 130 CO 0.03 1.39 0.41 0.00 0.09 0.00 0.00 178.44 180.36 1xsc n ALA 131 N -2.64 6.38 -0.62 1.53 0.00 -0.75 -3.77 120.51 120.64 1xsc n ALA 131 Ca -0.12 -2.06 0.47 0.00 0.00 0.00 0.00 53.44 51.73 1xsc n ALA 131 Cb 0.81 -2.51 0.73 0.00 0.00 0.00 0.00 19.45 18.48 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 2.73 0.00 -1.68 0.00 0.00 -1.19 -3.86 117.38 113.37 1xsc n GLN 132 Ca 0.48 0.97 -0.42 0.00 0.00 0.00 0.00 57.00 58.03 1xsc n GLN 132 Cb 0.76 -2.26 -0.03 0.00 0.00 0.00 0.00 30.24 28.71 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 -4.64 1.30 0.24 2.61 0.40 -1.26 -4.86 117.98 111.76 1xsc s PHE 133 Ca -0.04 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1xsc s PHE 133 Cb 0.24 -4.23 0.38 0.00 0.51 0.00 0.00 43.02 39.92 1xsc s PHE 133 CO 0.79 -5.50 1.63 -0.22 0.70 0.00 0.00 175.22 172.61 1xsc h LYS 134 N 10.63 0.07 -0.40 0.44 3.64 -1.96 -1.41 116.57 127.58 1xsc h LYS 134 Ca -0.49 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1xsc h LYS 134 Cb 1.24 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 1xsc h LYS 134 CO 0.94 0.05 -0.33 0.93 -2.27 0.00 0.00 179.45 178.77 1xsc h GLU 135 N 0.07 -0.25 -0.54 1.90 3.07 -1.89 -0.63 114.58 116.31 1xsc h GLU 135 Ca 0.38 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.20 1xsc h GLU 135 Cb 0.65 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 1xsc h GLU 135 CO -0.67 -0.16 0.09 0.52 -1.40 0.00 0.00 179.01 177.38 1xsc h MET 136 N -0.26 0.88 -0.99 2.33 2.86 -1.56 -1.57 114.93 116.62 1xsc h MET 136 Ca 0.17 -0.24 0.17 0.00 -2.06 0.00 0.00 59.70 57.74 1xsc h MET 136 Cb 0.54 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.00 1xsc h MET 136 CO -0.54 0.86 0.62 0.87 1.06 0.00 0.00 176.91 179.77 1xsc h LYS 137 N 0.77 0.78 -0.10 1.72 1.57 -0.39 -0.15 116.57 120.78 1xsc h LYS 137 Ca 0.16 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1xsc h LYS 137 Cb 0.40 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1xsc h LYS 137 CO 0.01 0.52 -0.18 0.00 -0.57 0.00 0.00 179.45 179.23 1xsc h ALA 138 N 1.60 0.15 -0.44 3.86 0.00 -0.78 0.11 119.26 123.76 1xsc h ALA 138 Ca 0.53 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1xsc h ALA 138 Cb 0.78 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1xsc h ALA 138 CO -0.31 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 178.92 1xsc h ALA 139 N 0.52 0.32 -0.04 0.00 0.00 -0.21 0.37 119.26 120.22 1xsc h ALA 139 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xsc h ALA 139 Cb 0.76 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xsc h ALA 139 CO 0.04 -0.44 -0.66 -0.07 0.00 0.00 0.00 179.25 178.12 1xsc h LEU 140 N 0.02 0.19 0.21 0.00 3.38 -1.12 -2.24 115.31 115.76 1xsc h LEU 140 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xsc h LEU 140 Cb 0.33 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xsc h LEU 140 CO -0.44 0.80 -0.12 1.56 0.09 0.00 0.00 178.44 180.33 1xsc h GLN 141 N 0.12 -0.30 0.00 1.13 1.08 0.14 -2.61 115.11 114.67 1xsc h GLN 141 Ca -0.01 0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xsc h GLN 141 Cb 1.19 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1xsc h GLN 141 CO 0.10 -0.20 -0.43 0.93 -0.95 0.00 0.00 178.83 178.28 1xsc h GLU 142 N -0.31 0.00 -0.77 1.46 5.08 -0.42 -2.80 114.58 116.82 1xsc h GLU 142 Ca -0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1xsc h GLU 142 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1xsc h GLU 142 CO 0.03 0.43 0.46 0.78 -1.00 0.00 0.00 179.01 179.72 1xsc h GLY 143 N 1.88 1.16 1.48 -3.84 0.00 -1.03 0.28 103.07 103.00 1xsc h GLY 143 Ca -0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 47.33 46.76 1xsc h GLY 143 CO 0.06 0.22 -0.99 0.45 0.00 0.00 0.00 176.54 176.27 1xsc h HIS 144 N 0.84 0.69 0.22 5.60 3.86 -1.43 -2.72 115.15 122.21 1xsc h HIS 144 Ca 0.34 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1xsc h HIS 144 Cb 0.18 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1xsc h HIS 144 CO -0.05 1.22 -0.11 0.37 0.86 0.00 0.00 177.93 180.22 1xsc h GLN 145 N 0.25 -0.28 0.15 2.45 5.75 -1.11 -2.06 115.11 120.25 1xsc h GLN 145 Ca -0.10 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1xsc h GLN 145 Cb 1.64 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.26 1xsc h GLN 145 CO 0.18 -0.06 -0.07 0.35 -2.65 0.00 0.00 178.83 176.58 1xsc h PHE 146 N -0.47 -0.18 -0.16 3.99 3.04 -0.57 -2.91 116.94 119.68 1xsc h PHE 146 Ca -0.03 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 61.96 1xsc h PHE 146 Cb 0.35 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1xsc h PHE 146 CO -0.01 0.10 0.19 -0.07 -2.02 0.00 0.00 178.31 176.49 1xsc h LEU 147 N -0.46 0.00 -0.21 0.59 3.38 -1.55 0.31 115.31 117.37 1xsc h LEU 147 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xsc h LEU 147 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xsc h LEU 147 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1xsc n SER 149 N -2.88 0.60 0.00 0.00 2.88 0.11 -4.85 113.62 109.48 1xsc n SER 149 Ca 0.04 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1xsc n SER 149 Cb 0.47 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 -1.75 0.00 0.11 2.46 5.41 -1.05 -5.09 119.36 119.44 1xsc n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsc n ILE 150 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 0.00 0.38 2.13 -1.26 -5.05 120.64 116.84 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsc n ALA 152 N -3.11 0.05 0.90 4.31 0.00 -1.26 -5.14 120.51 116.25 1xsc n ALA 152 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1xsc n ALA 152 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78