#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 4.41 -0.30 1.61 0.04 -1.26 -5.00 135.00 134.49 1xsc s PRO 2 Ca 0.00 1.88 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1xsc s PRO 2 Cb 0.00 -3.29 0.20 0.00 0.04 0.00 0.00 34.50 31.44 1xsc s PRO 2 CO 0.00 -0.28 0.59 -0.48 0.04 0.00 0.00 177.00 176.88 1xsc s LEU 3 N 0.80 -1.62 0.00 -3.56 2.34 -1.26 -5.14 118.68 110.24 1xsc s LEU 3 Ca 0.59 0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.85 1xsc s LEU 3 Cb -0.32 2.02 0.00 0.00 -0.56 0.00 0.00 46.19 47.33 1xsc s LEU 3 CO 0.31 -0.29 0.00 0.61 -1.06 0.00 0.00 176.35 175.93 1xsc n GLY 4 N 5.30 3.61 3.77 -3.48 0.00 -1.26 -5.13 105.19 107.99 1xsc n GLY 4 Ca 0.06 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 6.80 -0.11 1.61 0.15 -1.26 -4.96 113.70 115.94 1xsc s SER 5 Ca 0.00 2.64 -0.30 0.00 0.70 0.00 0.00 55.95 59.00 1xsc s SER 5 Cb 0.00 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1xsc s SER 5 CO 0.00 -0.52 1.21 -0.32 1.20 0.00 0.00 173.24 174.81 1xsc s MET 6 N -1.57 4.31 0.29 5.44 1.75 -1.26 -4.82 119.30 123.44 1xsc s MET 6 Ca 0.50 1.64 0.00 0.00 -1.25 0.00 0.00 55.69 56.58 1xsc s MET 6 Cb -0.39 -3.63 0.00 0.00 2.84 0.00 0.00 34.83 33.64 1xsc s MET 6 CO 0.51 -0.54 0.00 0.00 -0.65 0.00 0.00 175.02 174.33 1xsc n ALA 7 N 5.74 -1.94 -2.91 4.11 0.00 -1.26 -4.91 120.51 119.34 1xsc n ALA 7 Ca 0.12 0.43 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 1xsc n ALA 7 Cb 0.46 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 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 -5.89 3.39 -0.42 0.00 1.02 0.31 -4.95 118.68 112.13 1xsc s LEU 8 Ca 0.00 -0.07 -0.27 0.00 0.02 0.00 0.00 54.13 53.81 1xsc s LEU 8 Cb 0.00 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1xsc s LEU 8 CO 0.00 0.18 0.99 -0.60 0.02 0.00 0.00 176.35 176.94 1xsc s ARG 9 N 0.30 3.72 0.40 1.70 3.52 -1.26 -0.22 118.95 127.12 1xsc s ARG 9 Ca -0.02 0.47 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 1xsc s ARG 9 Cb -0.14 -3.87 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 1xsc s ARG 9 CO 0.02 -1.15 0.05 0.00 -0.81 0.00 0.00 175.30 173.41 1xsc s ALA 10 N 3.83 3.06 -0.29 6.12 0.00 0.17 -0.46 121.76 134.18 1xsc s ALA 10 Ca 0.41 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1xsc s ALA 10 Cb -0.10 0.42 0.12 0.00 0.00 0.00 0.00 23.12 23.56 1xsc s ALA 10 CO 0.24 -0.21 0.72 0.00 0.00 0.00 0.00 175.76 176.52 1xsc s GLY 12 N 2.32 2.40 -0.18 0.00 0.00 0.23 -0.59 107.32 111.50 1xsc s GLY 12 Ca -0.07 -2.04 0.01 0.00 0.00 0.00 0.00 44.72 42.61 1xsc s GLY 12 CO -0.19 -1.96 -0.15 -2.27 0.00 0.00 0.00 173.10 168.53 1xsc s LEU 13 N -3.88 2.10 -0.97 0.66 0.20 -1.11 -3.42 118.68 112.25 1xsc s LEU 13 Ca 0.38 -0.70 -0.22 0.00 0.69 0.00 0.00 54.13 54.28 1xsc s LEU 13 Cb 0.05 -1.31 0.07 0.00 -0.43 0.00 0.00 46.19 44.56 1xsc s LEU 13 CO 0.21 -0.07 1.35 -0.63 -0.29 0.00 0.00 176.35 176.92 1xsc s ILE 14 N 1.38 4.08 0.30 6.68 1.01 0.28 -4.52 121.20 130.41 1xsc s ILE 14 Ca 0.02 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 1xsc s ILE 14 Cb -0.14 -4.98 -0.10 0.00 0.01 0.00 0.00 42.46 37.25 1xsc s ILE 14 CO -0.10 -1.83 0.95 -0.63 0.00 0.00 0.00 174.94 173.33 1xsc s ILE 15 N 4.54 4.13 -0.15 2.92 1.01 -1.26 -0.35 121.20 132.04 1xsc s ILE 15 Ca 0.42 1.86 -0.06 0.00 0.00 0.00 0.00 60.65 62.86 1xsc s ILE 15 Cb -0.02 -4.07 0.07 0.00 0.01 0.00 0.00 42.46 38.44 1xsc s ILE 15 CO -0.07 0.23 0.31 0.72 0.00 0.00 0.00 174.94 176.13 1xsc s PHE 16 N -1.50 -0.52 -0.37 3.97 -0.12 0.99 -1.39 117.98 119.05 1xsc s PHE 16 Ca 0.48 1.11 -0.28 0.00 -0.05 0.00 0.00 56.93 58.18 1xsc s PHE 16 Cb -0.21 0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.28 1xsc s PHE 16 CO 0.27 -0.37 1.06 1.03 -0.05 0.00 0.00 175.22 177.16 1xsc s ARG 17 N 2.22 3.92 -0.39 1.99 0.52 0.17 -3.74 118.95 123.64 1xsc s ARG 17 Ca -0.02 0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 55.75 1xsc s ARG 17 Cb -0.11 -3.80 0.02 0.00 0.52 0.00 0.00 34.95 31.58 1xsc s ARG 17 CO -0.10 -1.05 1.00 0.50 0.02 0.00 0.00 175.30 175.67 1xsc s ARG 18 N 3.85 3.83 0.75 3.54 3.52 -1.26 -3.05 118.95 130.13 1xsc s ARG 18 Ca 0.45 0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 56.58 1xsc s ARG 18 Cb -0.11 -3.82 0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1xsc s ARG 18 CO 0.21 -1.06 1.08 0.00 -0.81 0.00 0.00 175.30 174.72 1xsc n LEU 20 N -3.37 0.00 -4.25 0.00 4.77 -1.26 -4.89 117.00 108.00 1xsc n LEU 20 Ca 0.08 0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 56.28 1xsc n LEU 20 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1xsc n LEU 20 CO 0.55 0.00 -0.51 0.27 -1.33 0.00 0.00 177.39 176.37 1xsc s ILE 21 N -0.91 1.59 0.82 -0.08 -0.00 -1.26 -5.02 121.20 116.34 1xsc s ILE 21 Ca 0.00 -1.37 -0.13 0.00 -0.00 0.00 0.00 60.65 59.15 1xsc s ILE 21 Cb 0.00 -1.43 0.09 0.00 -0.00 0.00 0.00 42.46 41.12 1xsc s ILE 21 CO 0.00 0.01 1.20 -2.84 -0.00 0.00 0.00 174.94 173.31 1xsc s PRO 22 N -1.61 1.60 0.00 0.37 0.02 -1.26 -5.02 135.00 129.09 1xsc s PRO 22 Ca 0.05 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.80 1xsc s PRO 22 Cb -0.09 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1xsc s PRO 22 CO 0.03 -2.24 0.00 1.63 -0.33 0.00 0.00 177.00 176.09 1xsc n LYS 23 N -3.39 0.00 0.00 5.54 4.01 -1.26 -5.01 118.16 118.05 1xsc n LYS 23 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1xsc n LYS 23 Cb 0.51 -0.10 0.00 0.00 -0.51 0.00 0.00 35.03 34.92 1xsc n LYS 23 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1xsc n VAL 24 N -1.70 0.00 0.00 -0.18 0.24 -1.26 -5.01 118.33 110.42 1xsc n VAL 24 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1xsc n VAL 24 Cb 0.00 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xsc n ASP 25 N -1.62 0.00 0.00 -1.34 10.43 -1.26 -5.12 116.55 117.64 1xsc n ASP 25 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1xsc n ASP 25 Cb 0.16 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.12 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsc n ASN 26 N 0.00 0.00 0.00 -2.24 2.85 -1.26 -4.97 115.26 109.64 1xsc n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xsc n ASN 26 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsc n ASN 27 N 0.00 0.00 0.00 1.20 3.02 -1.26 -5.05 115.26 113.17 1xsc n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xsc n ASN 27 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsc n ALA 28 N -0.49 0.00 -2.87 5.41 0.00 -1.26 -4.81 120.51 116.50 1xsc n ALA 28 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1xsc n ALA 28 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 5.03 -0.01 0.00 1.01 -1.26 -3.39 121.20 122.58 1xsc s ILE 29 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1xsc s ILE 29 Cb 0.00 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 1xsc s ILE 29 CO 0.00 0.08 -0.06 -1.61 0.00 0.00 0.00 174.94 173.35 1xsc s GLU 30 N -2.62 0.50 0.11 2.79 2.02 -1.17 -4.37 118.70 115.95 1xsc s GLU 30 Ca 0.33 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.12 1xsc s GLU 30 Cb -0.12 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.59 1xsc s GLU 30 CO 0.26 0.12 0.21 -0.06 0.02 0.00 0.00 175.26 175.81 1xsc s PHE 31 N -0.11 3.42 0.12 1.61 0.08 0.33 0.41 117.98 123.84 1xsc s PHE 31 Ca 0.02 0.15 -0.24 0.00 0.12 0.00 0.00 56.93 56.97 1xsc s PHE 31 Cb -0.03 -1.68 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1xsc s PHE 31 CO -0.00 0.55 0.74 -1.17 -0.10 0.00 0.00 175.22 175.23 1xsc s LEU 32 N -2.83 4.55 -0.01 -0.37 2.96 -0.49 -2.27 118.68 120.22 1xsc s LEU 32 Ca 0.34 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 1xsc s LEU 32 Cb -0.12 -3.21 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1xsc s LEU 32 CO 0.27 0.17 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.70 1xsc s LEU 33 N -0.86 1.68 -0.28 -0.68 1.43 0.47 -4.45 118.68 115.99 1xsc s LEU 33 Ca 0.35 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1xsc s LEU 33 Cb -0.22 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 45.90 1xsc s LEU 33 CO 0.24 -0.02 -0.01 -0.76 0.23 0.00 0.00 176.35 176.02 1xsc s LEU 34 N 0.35 3.58 0.08 1.79 1.43 -1.12 0.10 118.68 124.90 1xsc s LEU 34 Ca -0.03 -1.00 -0.31 0.00 -1.03 0.00 0.00 54.13 51.76 1xsc s LEU 34 Cb -0.06 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 1xsc s LEU 34 CO -0.01 -0.19 1.57 -1.58 0.23 0.00 0.00 176.35 176.36 1xsc s GLN 35 N 1.33 4.23 0.14 1.70 2.00 0.27 -2.16 119.66 127.16 1xsc s GLN 35 Ca -0.02 2.25 -0.31 0.00 -2.00 0.00 0.00 55.36 55.28 1xsc s GLN 35 Cb -0.18 -3.47 -0.10 0.00 0.80 0.00 0.00 33.01 30.06 1xsc s GLN 35 CO -0.02 -0.65 1.74 0.00 -0.50 0.00 0.00 175.29 175.86 1xsc s ALA 36 N 2.13 3.80 -2.00 1.58 0.00 -0.03 -2.65 121.76 124.60 1xsc s ALA 36 Ca 0.70 1.44 0.11 0.00 0.00 0.00 0.00 51.96 54.22 1xsc s ALA 36 Cb -0.39 -3.72 0.68 0.00 0.00 0.00 0.00 23.12 19.69 1xsc s ALA 36 CO 0.31 -1.06 1.19 -1.13 0.00 0.00 0.00 175.76 175.06 1xsc n SER 37 N 4.98 0.00 -3.65 0.00 3.41 0.07 -4.65 113.62 113.78 1xsc n SER 37 Ca 0.16 -0.96 0.01 0.00 -0.26 0.00 0.00 58.87 57.83 1xsc n SER 37 Cb 0.38 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1xsc n SER 37 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xsc s ASP 38 N -1.70 -0.05 0.03 4.04 3.84 -1.26 -4.88 116.67 116.69 1xsc s ASP 38 Ca 0.17 -0.21 0.00 0.00 -0.00 0.00 0.00 52.55 52.51 1xsc s ASP 38 Cb 0.08 0.21 0.00 0.00 -1.38 0.00 0.00 42.92 41.83 1xsc s ASP 38 CO 0.13 -0.40 0.00 0.61 -0.00 0.00 0.00 175.17 175.51 1xsc n GLY 39 N -0.58 0.96 1.31 2.12 0.00 -1.26 -4.11 105.19 103.62 1xsc n GLY 39 Ca -0.06 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 0.91 -3.42 -0.61 -5.35 -1.26 -4.93 119.36 104.70 1xsc n ILE 40 Ca 0.00 -0.94 -0.20 0.00 -0.27 0.00 0.00 62.75 61.34 1xsc n ILE 40 Cb 0.00 0.53 0.07 0.00 -1.74 0.00 0.00 39.64 38.50 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 1.59 -2.42 -2.60 4.28 8.25 -1.26 -4.99 115.22 118.06 1xsc n HIS 41 Ca 0.24 0.87 -0.26 0.00 -0.26 0.00 0.00 57.72 58.30 1xsc n HIS 41 Cb 0.60 -4.49 0.02 0.00 1.12 0.00 0.00 29.99 27.24 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 -3.28 3.33 -0.21 4.41 -3.43 -1.26 -4.81 115.29 110.03 1xsc s HIS 42 Ca 0.45 0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 55.27 1xsc s HIS 42 Cb -0.20 -2.52 -0.01 0.00 -1.43 0.00 0.00 32.58 28.43 1xsc s HIS 42 CO 0.63 -0.57 -0.06 -1.58 -2.00 0.00 0.00 174.74 171.16 1xsc s TRP 43 N -2.82 2.94 -0.09 0.38 0.52 -1.26 -0.85 118.94 117.75 1xsc s TRP 43 Ca 0.51 -1.00 -0.04 0.00 0.02 0.00 0.00 56.10 55.58 1xsc s TRP 43 Cb -0.10 -2.08 0.04 0.00 -1.15 0.00 0.00 33.47 30.18 1xsc s TRP 43 CO 0.43 -0.56 0.20 0.95 0.02 0.00 0.00 176.95 177.99 1xsc s THR 44 N 1.42 -0.04 1.33 2.01 -4.23 -0.92 -4.50 115.64 110.72 1xsc s THR 44 Ca 0.05 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 1xsc s THR 44 Cb -0.14 -0.32 0.32 0.00 1.34 0.00 0.00 72.50 73.70 1xsc s THR 44 CO -0.04 0.06 0.81 -2.65 -0.54 0.00 0.00 174.62 172.26 1xsc n PRO 45 N 4.11 -3.76 -1.55 3.99 -0.02 -1.26 -2.81 135.00 133.69 1xsc n PRO 45 Ca -0.25 -1.10 -0.41 0.00 -2.02 0.00 0.00 63.50 59.72 1xsc n PRO 45 Cb 0.53 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsc n PRO 46 N -4.99 1.33 -3.96 0.52 -0.02 -1.26 -4.78 135.00 121.84 1xsc n PRO 46 Ca 0.08 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 1xsc n PRO 46 Cb 0.56 -3.15 -0.06 0.00 -0.02 0.00 0.00 33.50 30.84 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 7.36 3.34 0.00 -0.52 1.02 -1.26 -2.76 119.74 126.92 1xsc s LYS 47 Ca 1.03 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1xsc s LYS 47 Cb -0.38 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1xsc s LYS 47 CO 0.34 0.69 0.00 0.41 -0.92 0.00 0.00 175.35 175.86 1xsc n GLY 48 N 1.21 6.60 2.57 -3.33 0.00 0.24 -4.77 105.19 107.72 1xsc n GLY 48 Ca -0.13 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 1xsc n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsc s HIS 49 N 0.22 0.85 0.09 1.61 2.46 -1.26 -3.30 115.29 115.96 1xsc s HIS 49 Ca 0.00 -1.41 -0.30 0.00 0.47 0.00 0.00 55.06 53.82 1xsc s HIS 49 Cb 0.00 -1.14 -0.05 0.00 -0.13 0.00 0.00 32.58 31.25 1xsc s HIS 49 CO 0.00 -0.83 1.04 0.54 -2.47 0.00 0.00 174.74 173.02 1xsc s VAL 50 N 1.54 4.36 0.65 0.89 0.11 0.39 -4.93 120.40 123.40 1xsc s VAL 50 Ca 0.13 1.85 0.06 0.00 -2.93 0.00 0.00 61.98 61.08 1xsc s VAL 50 Cb -0.19 -4.18 0.11 0.00 -1.53 0.00 0.00 36.38 30.59 1xsc s VAL 50 CO -0.20 0.23 0.89 -1.83 -3.33 0.00 0.00 175.10 170.86 1xsc s GLU 51 N 0.37 1.99 0.08 1.54 -1.05 -1.26 -4.30 118.70 116.07 1xsc s GLU 51 Ca 0.51 -1.49 -0.35 0.00 -0.15 0.00 0.00 54.97 53.48 1xsc s GLU 51 Cb -0.25 -2.52 -0.18 0.00 -0.44 0.00 0.00 34.13 30.74 1xsc s GLU 51 CO 0.30 -1.15 1.58 -1.35 0.95 0.00 0.00 175.26 175.59 1xsc h PRO 52 N -0.14 -1.02 -0.04 -4.83 0.11 -1.97 -2.80 132.00 121.32 1xsc h PRO 52 Ca -0.31 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xsc h PRO 52 Cb 1.28 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1xsc h PRO 52 CO 0.39 -0.68 0.00 0.41 -0.21 0.00 0.00 178.00 177.92 1xsc n GLY 53 N -1.57 -0.57 3.92 -0.55 0.00 -1.26 -4.88 105.19 100.27 1xsc n GLY 53 Ca -0.13 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.96 1.31 0.23 1.61 2.12 -1.06 -5.07 118.70 115.89 1xsc s GLU 54 Ca 0.36 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 1xsc s GLU 54 Cb 0.18 -1.91 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 1xsc s GLU 54 CO 0.29 -1.99 0.47 0.34 -0.54 0.00 0.00 175.26 173.82 1xsc s ASP 55 N -4.73 6.44 -0.02 -1.70 -1.08 -1.26 -4.78 116.67 109.52 1xsc s ASP 55 Ca 0.68 0.59 -0.10 0.00 -0.52 0.00 0.00 52.55 53.20 1xsc s ASP 55 Cb -0.07 -2.09 -0.05 0.00 -1.46 0.00 0.00 42.92 39.24 1xsc s ASP 55 CO 0.51 -0.10 0.54 0.44 0.52 0.00 0.00 175.17 177.08 1xsc h ASP 56 N 2.00 -0.30 -0.71 -0.34 3.45 -1.97 -3.11 116.42 115.43 1xsc h ASP 56 Ca -0.47 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 56.94 1xsc h ASP 56 Cb 1.19 0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 40.00 1xsc h ASP 56 CO 0.68 -0.01 0.22 0.25 -1.57 0.00 0.00 179.24 178.80 1xsc h LEU 57 N -0.76 1.05 -0.47 1.55 5.85 -1.96 -3.01 115.31 117.57 1xsc h LEU 57 Ca -0.04 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.58 1xsc h LEU 57 Cb 0.27 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 1xsc h LEU 57 CO 0.06 0.98 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.70 1xsc h GLU 58 N 1.08 0.00 -0.95 1.25 3.07 -1.98 0.99 114.58 118.04 1xsc h GLU 58 Ca 0.23 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.22 1xsc h GLU 58 Cb 0.31 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.13 1xsc h GLU 58 CO -0.01 0.00 0.58 1.15 -1.40 0.00 0.00 179.01 179.33 1xsc h THR 59 N 0.00 0.87 0.00 1.13 2.02 -1.45 1.30 112.91 116.79 1xsc h THR 59 Ca 0.22 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 1xsc h THR 59 Cb 0.34 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1xsc h THR 59 CO -0.48 0.16 -0.60 0.00 0.37 0.00 0.00 175.52 174.97 1xsc h ALA 60 N 1.54 0.88 0.09 6.16 0.00 -0.56 -1.82 119.26 125.54 1xsc h ALA 60 Ca 0.48 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xsc h ALA 60 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xsc h ALA 60 CO -0.29 0.75 -0.04 -0.07 0.00 0.00 0.00 179.25 179.60 1xsc h LEU 61 N 0.00 -0.10 -1.19 0.00 3.38 0.47 -2.74 115.31 115.13 1xsc h LEU 61 Ca -0.01 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1xsc h LEU 61 Cb 1.15 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1xsc h LEU 61 CO 0.08 0.54 0.55 0.03 0.09 0.00 0.00 178.44 179.73 1xsc h ARG 62 N -0.87 1.08 -0.50 1.13 3.08 0.14 -1.03 114.38 117.41 1xsc h ARG 62 Ca -0.01 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1xsc h ARG 62 Cb 0.58 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1xsc h ARG 62 CO 0.02 0.72 0.16 0.00 -1.07 0.00 0.00 179.97 179.80 1xsc h ALA 63 N 1.49 1.34 0.60 0.04 0.00 -1.41 0.33 119.26 121.65 1xsc h ALA 63 Ca 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xsc h ALA 63 Cb -0.11 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xsc h ALA 63 CO -0.07 0.48 -0.29 1.15 0.00 0.00 0.00 179.25 180.52 1xsc h THR 64 N 0.73 0.41 0.00 0.00 2.02 -0.88 0.78 112.91 115.98 1xsc h THR 64 Ca 0.17 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 1xsc h THR 64 Cb 0.21 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1xsc h THR 64 CO -0.01 0.00 -0.11 0.06 0.37 0.00 0.00 175.52 175.83 1xsc h GLN 65 N -0.81 0.00 0.20 6.66 3.07 0.38 1.59 115.11 126.19 1xsc h GLN 65 Ca -0.08 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.34 1xsc h GLN 65 Cb 0.62 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.21 1xsc h GLN 65 CO 0.14 0.11 -1.36 0.93 0.09 0.00 0.00 178.83 178.73 1xsc h GLU 66 N 0.00 0.58 -0.37 0.06 4.39 0.11 0.14 114.58 119.49 1xsc h GLU 66 Ca -0.00 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 58.82 1xsc h GLU 66 Cb 0.59 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1xsc h GLU 66 CO 0.01 1.41 0.00 0.39 -1.16 0.00 0.00 179.01 179.67 1xsc n GLU 67 N -3.77 2.90 0.00 2.33 1.02 0.27 -3.97 120.64 119.42 1xsc n GLU 67 Ca -0.16 -2.20 0.00 0.00 -0.02 0.00 0.00 57.16 54.79 1xsc n GLU 67 Cb 1.05 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.48 0.00 -0.72 0.62 0.00 0.54 -4.12 120.51 117.31 1xsc n ALA 68 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1xsc n ALA 68 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.42 3.53 0.00 0.00 0.48 -0.94 105.19 108.68 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 -2.25 4.82 0.47 -0.61 1.01 -1.20 -4.71 121.20 118.73 1xsc s ILE 70 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 1xsc s ILE 70 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 1xsc s ILE 70 CO 0.00 0.31 0.37 -1.83 0.00 0.00 0.00 174.94 173.80 1xsc s GLU 71 N 1.54 2.38 0.37 2.79 -1.05 -1.26 0.41 118.70 123.87 1xsc s GLU 71 Ca 0.06 -1.75 0.14 0.00 -0.15 0.00 0.00 54.97 53.27 1xsc s GLU 71 Cb -0.15 -2.23 0.98 0.00 -0.44 0.00 0.00 34.13 32.28 1xsc s GLU 71 CO 0.06 -0.36 1.78 0.00 0.95 0.00 0.00 175.26 177.70 1xsc h ALA 72 N 0.96 2.02 0.00 -0.84 0.00 -1.88 0.96 119.26 120.48 1xsc h ALA 72 Ca -0.40 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xsc h ALA 72 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsc h ALA 72 CO 0.59 -0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.20 1xsc h GLY 73 N 0.52 0.00 -0.94 0.00 0.00 -1.99 -2.43 103.07 98.22 1xsc h GLY 73 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1xsc h GLY 73 CO -0.32 0.00 -0.39 -0.18 0.00 0.00 0.00 176.54 175.65 1xsc n GLN 74 N -2.48 1.45 -2.99 4.80 -0.06 0.32 -4.99 117.38 113.44 1xsc n GLN 74 Ca 0.02 -0.98 -0.10 0.00 -2.00 0.00 0.00 57.00 53.94 1xsc n GLN 74 Cb 0.26 -1.39 -0.03 0.00 -4.06 0.00 0.00 30.24 25.01 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 0.03 0.00 -3.77 1.69 -0.00 -0.45 -1.44 117.00 113.05 1xsc n LEU 75 Ca 0.08 -1.33 -0.30 0.00 -0.00 0.00 0.00 56.01 54.47 1xsc n LEU 75 Cb 0.42 0.55 -0.15 0.00 -0.00 0.00 0.00 43.42 44.24 1xsc n LEU 75 CO 0.24 -0.21 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.19 1xsc s THR 76 N -2.34 1.04 0.05 1.47 2.01 0.19 -4.77 115.64 113.28 1xsc s THR 76 Ca 0.12 -1.45 -0.31 0.00 0.31 0.00 0.00 61.69 60.36 1xsc s THR 76 Cb 0.01 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1xsc s THR 76 CO 0.08 -0.62 1.21 -0.63 -0.69 0.00 0.00 174.62 173.97 1xsc s ILE 77 N 1.54 4.03 0.01 1.82 -1.09 -1.26 -1.32 121.20 124.94 1xsc s ILE 77 Ca 0.09 1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 59.80 1xsc s ILE 77 Cb -0.17 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1xsc s ILE 77 CO -0.22 0.10 0.45 -0.63 -1.23 0.00 0.00 174.94 173.41 1xsc s ILE 78 N 1.23 4.96 0.11 2.92 1.09 0.23 -4.97 121.20 126.77 1xsc s ILE 78 Ca 0.59 0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 61.07 1xsc s ILE 78 Cb -0.29 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 1xsc s ILE 78 CO 0.28 0.56 0.28 -1.61 -0.10 0.00 0.00 174.94 174.35 1xsc s GLU 79 N -1.02 3.48 0.00 2.79 2.02 -1.26 -4.40 118.70 120.32 1xsc s GLU 79 Ca 0.25 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1xsc s GLU 79 Cb -0.17 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1xsc s GLU 79 CO 0.15 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.38 1xsc n GLY 80 N -0.01 2.89 3.59 -1.39 0.00 -1.26 -5.04 105.19 103.96 1xsc n GLY 80 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.78 3.20 -0.26 1.61 2.19 -1.26 -5.07 117.98 115.60 1xsc s PHE 81 Ca 0.00 -0.04 -0.12 0.00 0.33 0.00 0.00 56.93 57.09 1xsc s PHE 81 Cb 0.00 -2.12 0.09 0.00 -1.31 0.00 0.00 43.02 39.68 1xsc s PHE 81 CO 0.00 0.02 0.61 0.21 1.83 0.00 0.00 175.22 177.90 1xsc s LYS 82 N 0.70 0.59 -0.09 10.12 2.20 -1.26 -4.69 119.74 127.31 1xsc s LYS 82 Ca 0.03 1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 56.79 1xsc s LYS 82 Cb -0.13 0.38 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 1xsc s LYS 82 CO 0.02 -0.18 0.24 0.50 -0.36 0.00 0.00 175.35 175.57 1xsc s ARG 83 N 2.12 0.28 -0.07 4.03 6.06 -1.23 -5.00 118.95 125.14 1xsc s ARG 83 Ca -0.08 0.34 0.05 0.00 -2.50 0.00 0.00 55.73 53.54 1xsc s ARG 83 Cb -0.08 0.14 -0.00 0.00 0.06 0.00 0.00 34.95 35.06 1xsc s ARG 83 CO -0.18 -0.03 -0.23 -1.83 -2.50 0.00 0.00 175.30 170.52 1xsc s GLU 84 N 0.14 2.65 -0.32 5.12 1.03 -1.25 0.83 118.70 126.90 1xsc s GLU 84 Ca -0.00 -0.84 -0.14 0.00 0.03 0.00 0.00 54.97 54.02 1xsc s GLU 84 Cb -0.02 -2.13 -0.02 0.00 -0.80 0.00 0.00 34.13 31.16 1xsc s GLU 84 CO 0.00 0.27 0.30 -0.51 -1.33 0.00 0.00 175.26 173.99 1xsc s LEU 85 N 0.10 4.32 -0.20 1.83 1.43 0.33 -4.74 118.68 121.75 1xsc s LEU 85 Ca -0.11 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1xsc s LEU 85 Cb -0.15 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1xsc s LEU 85 CO 0.06 -0.23 0.02 0.20 0.23 0.00 0.00 176.35 176.63 1xsc s ASN 86 N 1.72 5.04 -0.24 2.29 0.01 -1.24 -0.66 114.94 121.86 1xsc s ASN 86 Ca 0.10 -0.14 -0.27 0.00 -0.71 0.00 0.00 52.86 51.84 1xsc s ASN 86 Cb -0.17 -1.87 0.12 0.00 0.41 0.00 0.00 41.25 39.75 1xsc s ASN 86 CO 0.11 0.08 0.99 -0.72 -1.51 0.00 0.00 177.10 176.05 1xsc s TYR 87 N 0.92 -0.47 -0.55 2.20 1.13 -1.11 -4.90 117.35 114.57 1xsc s TYR 87 Ca 0.02 1.06 -0.26 0.00 -1.41 0.00 0.00 57.07 56.48 1xsc s TYR 87 Cb -0.14 0.38 0.04 0.00 -1.10 0.00 0.00 41.96 41.14 1xsc s TYR 87 CO 0.02 -0.29 1.04 0.54 -2.51 0.00 0.00 175.55 174.36 1xsc s VAL 88 N -0.19 4.25 0.00 -3.49 0.11 -1.26 -0.20 120.40 119.62 1xsc s VAL 88 Ca 0.01 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.65 1xsc s VAL 88 Cb -0.04 -4.60 0.00 0.00 -1.53 0.00 0.00 36.38 30.21 1xsc s VAL 88 CO -0.03 -1.17 0.00 0.00 -3.33 0.00 0.00 175.10 170.57 1xsc n ALA 89 N 7.81 0.00 -0.32 1.54 0.00 -1.06 -4.66 120.51 123.82 1xsc n ALA 89 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1xsc n ALA 89 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.08 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 0.98 0.00 0.00 0.11 -2.03 -3.42 114.38 110.02 1xsc h ARG 90 Ca 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1xsc h ARG 90 Cb 0.00 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 30.86 1xsc h ARG 90 CO 0.00 0.65 0.00 0.27 0.10 0.00 0.00 179.97 180.99 1xsc n ASN 91 N -4.60 0.00 -3.65 0.08 6.94 -1.26 -5.15 115.26 107.62 1xsc n ASN 91 Ca 0.13 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.62 1xsc n ASN 91 Cb 0.18 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.52 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsc s LYS 92 N 0.00 0.61 -0.03 -3.83 2.47 -1.26 -5.08 119.74 112.62 1xsc s LYS 92 Ca 0.00 1.14 -0.30 0.00 -1.56 0.00 0.00 55.97 55.25 1xsc s LYS 92 Cb 0.00 0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.47 1xsc s LYS 92 CO 0.00 -0.16 1.63 -1.25 0.16 0.00 0.00 175.35 175.73 1xsc s PRO 93 N 1.71 4.19 -0.23 4.03 0.04 -1.26 -2.55 135.00 140.93 1xsc s PRO 93 Ca -0.09 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.07 1xsc s PRO 93 Cb -0.07 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.56 1xsc s PRO 93 CO -0.18 -0.80 0.07 0.21 0.04 0.00 0.00 177.00 176.34 1xsc s LYS 94 N 3.65 3.79 -0.51 4.56 2.47 0.72 0.11 119.74 134.53 1xsc s LYS 94 Ca 0.73 -0.42 -0.21 0.00 -1.56 0.00 0.00 55.97 54.50 1xsc s LYS 94 Cb -0.34 -3.30 0.05 0.00 -1.46 0.00 0.00 37.83 32.77 1xsc s LYS 94 CO 0.30 -0.02 0.73 0.99 0.16 0.00 0.00 175.35 177.51 1xsc s THR 95 N 1.17 4.71 -0.36 3.43 2.01 0.70 -2.76 115.64 124.53 1xsc s THR 95 Ca 0.05 -0.14 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 1xsc s THR 95 Cb -0.14 -4.36 0.05 0.00 0.01 0.00 0.00 72.50 68.05 1xsc s THR 95 CO 0.03 -0.87 0.15 -0.69 -0.69 0.00 0.00 174.62 172.56 1xsc s VAL 96 N 3.09 3.95 -0.11 3.82 1.01 0.16 0.41 120.40 132.73 1xsc s VAL 96 Ca 0.21 -1.20 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 1xsc s VAL 96 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1xsc s VAL 96 CO 0.15 -0.28 0.72 -0.63 0.00 0.00 0.00 175.10 175.06 1xsc s ILE 97 N 1.41 5.01 -0.12 2.22 -1.09 -1.16 0.12 121.20 127.59 1xsc s ILE 97 Ca 0.00 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1xsc s ILE 97 Cb -0.20 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1xsc s ILE 97 CO 0.03 0.18 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsc s TYR 98 N 1.27 2.76 0.41 3.97 2.02 0.24 -0.60 117.35 127.42 1xsc s TYR 98 Ca 0.36 -0.73 0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1xsc s TYR 98 Cb -0.17 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1xsc s TYR 98 CO 0.16 -0.26 0.25 -1.58 -1.57 0.00 0.00 175.55 172.55 1xsc s TRP 99 N 0.34 2.65 -0.36 2.71 0.51 -1.22 -3.50 118.94 120.08 1xsc s TRP 99 Ca -0.13 -0.54 -0.12 0.00 -2.12 0.00 0.00 56.10 53.20 1xsc s TRP 99 Cb -0.16 -2.02 0.01 0.00 -0.81 0.00 0.00 33.47 30.49 1xsc s TRP 99 CO 0.06 0.08 0.21 -0.51 -0.51 0.00 0.00 176.95 176.29 1xsc s LEU 100 N -3.99 4.60 0.14 2.99 1.43 -1.26 0.10 118.68 122.70 1xsc s LEU 100 Ca 0.43 -0.77 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1xsc s LEU 100 Cb 0.01 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1xsc s LEU 100 CO 0.25 -0.33 -0.25 0.00 0.23 0.00 0.00 176.35 176.25 1xsc s ALA 101 N 1.62 2.27 -0.21 4.21 0.00 0.52 0.77 121.76 130.95 1xsc s ALA 101 Ca 0.04 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.54 1xsc s ALA 101 Cb -0.18 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.66 1xsc s ALA 101 CO 0.08 0.46 -0.07 -2.00 0.00 0.00 0.00 175.76 174.23 1xsc s GLU 102 N -2.20 1.71 -0.30 0.00 2.12 -0.43 0.33 118.70 119.92 1xsc s GLU 102 Ca 0.14 -0.86 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1xsc s GLU 102 Cb -0.09 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1xsc s GLU 102 CO 0.06 -0.52 1.53 0.14 -0.54 0.00 0.00 175.26 175.93 1xsc s VAL 103 N 1.44 3.81 0.57 3.70 -7.23 -1.25 0.53 120.40 121.96 1xsc s VAL 103 Ca -0.03 0.88 0.25 0.00 -1.81 0.00 0.00 61.98 61.27 1xsc s VAL 103 Cb -0.17 -3.92 0.34 0.00 0.56 0.00 0.00 36.38 33.19 1xsc s VAL 103 CO -0.07 -0.47 2.13 0.07 -0.31 0.00 0.00 175.10 176.46 1xsc h LYS 104 N 10.75 0.00 -5.14 4.82 2.10 -1.56 -3.39 116.57 124.15 1xsc h LYS 104 Ca -0.30 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.68 1xsc h LYS 104 Cb 1.13 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.29 1xsc h LYS 104 CO 1.03 0.00 -0.05 -0.51 -2.00 0.00 0.00 179.45 177.92 1xsc s ASP 105 N -6.23 6.27 0.26 7.07 1.01 -1.26 -4.93 116.67 118.85 1xsc s ASP 105 Ca -0.05 -0.42 -0.03 0.00 0.71 0.00 0.00 52.55 52.76 1xsc s ASP 105 Cb 0.16 -2.27 0.39 0.00 1.01 0.00 0.00 42.92 42.21 1xsc s ASP 105 CO 0.60 -0.63 1.89 0.22 0.21 0.00 0.00 175.17 177.46 1xsc h TYR 106 N 8.73 1.22 -0.72 4.23 3.20 -1.99 -0.21 116.97 131.43 1xsc h TYR 106 Ca -0.26 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.33 1xsc h TYR 106 Cb 1.11 -0.40 -0.18 0.00 1.54 0.00 0.00 36.73 38.79 1xsc h TYR 106 CO 0.68 0.65 0.32 -0.25 -1.64 0.00 0.00 178.16 177.92 1xsc n ASP 107 N -4.48 3.83 -4.39 -2.11 9.92 -1.26 -5.03 116.55 113.03 1xsc n ASP 107 Ca 0.15 -3.48 -0.38 0.00 -0.53 0.00 0.00 54.79 50.55 1xsc n ASP 107 Cb 0.16 -0.74 0.04 0.00 -0.64 0.00 0.00 41.12 39.94 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1xsc n VAL 108 N -0.78 1.46 -2.62 2.53 3.14 -0.09 -4.92 118.33 117.06 1xsc n VAL 108 Ca 0.45 -0.47 -0.37 0.00 -2.96 0.00 0.00 64.34 60.99 1xsc n VAL 108 Cb 1.39 -0.49 -0.05 0.00 -1.06 0.00 0.00 33.84 33.63 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 -1.99 4.37 -0.35 1.45 1.03 -1.26 -5.03 118.70 116.92 1xsc s GLU 109 Ca 0.63 1.48 0.03 0.00 0.03 0.00 0.00 54.97 57.15 1xsc s GLU 109 Cb -0.42 -2.70 0.10 0.00 -0.80 0.00 0.00 34.13 30.31 1xsc s GLU 109 CO 0.60 0.05 0.07 0.42 -1.33 0.00 0.00 175.26 175.06 1xsc s ILE 110 N -1.59 2.11 -0.53 1.83 -1.09 -1.24 -4.28 121.20 116.42 1xsc s ILE 110 Ca 0.54 -2.29 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 1xsc s ILE 110 Cb -0.22 -2.56 0.10 0.00 -1.58 0.00 0.00 42.46 38.21 1xsc s ILE 110 CO 0.28 -0.62 0.51 -0.13 -1.23 0.00 0.00 174.94 173.74 1xsc s ARG 111 N 0.92 3.00 -0.04 2.79 3.00 -0.12 -4.84 118.95 123.66 1xsc s ARG 111 Ca 0.11 -1.49 -0.11 0.00 0.00 0.00 0.00 55.73 54.24 1xsc s ARG 111 Cb -0.19 -4.23 -0.05 0.00 0.00 0.00 0.00 34.95 30.47 1xsc s ARG 111 CO -0.10 -1.27 0.30 -0.51 0.00 0.00 0.00 175.30 173.73 1xsc s LEU 112 N 1.85 4.44 0.00 2.53 1.43 -1.26 0.27 118.68 127.94 1xsc s LEU 112 Ca 0.05 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1xsc s LEU 112 Cb -0.27 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1xsc s LEU 112 CO 0.05 0.35 0.00 -1.54 0.23 0.00 0.00 176.35 175.44 1xsc n SER 113 N 1.81 0.00 0.00 2.29 3.41 -1.25 -4.88 113.62 115.00 1xsc n SER 113 Ca -0.16 -0.49 0.10 0.00 -0.26 0.00 0.00 58.87 58.06 1xsc n SER 113 Cb 0.53 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.91 0.00 0.05 7.33 -0.00 -1.26 -2.56 115.22 117.87 1xsc n HIS 114 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1xsc n HIS 114 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.99 29.70 1xsc n HIS 114 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1xsc n GLU 115 N -1.23 0.62 -5.09 -0.41 4.07 -1.26 -4.85 120.64 112.50 1xsc n GLU 115 Ca 0.10 0.13 -0.31 0.00 -0.06 0.00 0.00 57.16 57.02 1xsc n GLU 115 Cb 0.14 -1.78 -0.17 0.00 -0.06 0.00 0.00 31.44 29.57 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1xsc s HIS 116 N -3.16 2.47 -0.76 4.31 3.76 -1.06 -0.75 115.29 120.10 1xsc s HIS 116 Ca -0.03 -1.04 0.22 0.00 -0.15 0.00 0.00 55.06 54.06 1xsc s HIS 116 Cb 0.09 -1.66 -0.18 0.00 1.11 0.00 0.00 32.58 31.95 1xsc s HIS 116 CO 0.81 -0.43 0.86 0.00 -0.85 0.00 0.00 174.74 175.13 1xsc n GLN 117 N 3.62 0.17 -3.79 1.40 10.64 -1.08 -4.32 117.38 124.01 1xsc n GLN 117 Ca -0.19 -0.04 -0.02 0.00 -1.83 0.00 0.00 57.00 54.91 1xsc n GLN 117 Cb 0.53 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsc s ALA 118 N -3.13 -1.78 0.29 2.61 0.00 -1.24 -5.03 121.76 113.48 1xsc s ALA 118 Ca 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1xsc s ALA 118 Cb 0.15 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1xsc s ALA 118 CO 0.86 -1.06 0.39 1.52 0.00 0.00 0.00 175.76 177.47 1xsc s TYR 119 N -2.66 0.96 0.03 0.00 1.13 -1.26 0.96 117.35 116.52 1xsc s TYR 119 Ca 0.17 -1.20 -0.23 0.00 -1.41 0.00 0.00 57.07 54.40 1xsc s TYR 119 Cb -0.01 -0.17 0.05 0.00 -1.10 0.00 0.00 41.96 40.74 1xsc s TYR 119 CO 0.02 -0.98 0.52 1.03 -2.51 0.00 0.00 175.55 173.63 1xsc s ARG 120 N -3.56 1.00 -0.29 -3.49 0.52 0.29 -4.85 118.95 108.57 1xsc s ARG 120 Ca 0.31 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 1xsc s ARG 120 Cb 0.01 0.46 0.07 0.00 0.52 0.00 0.00 34.95 36.01 1xsc s ARG 120 CO 0.16 -0.35 -0.05 -1.58 0.02 0.00 0.00 175.30 173.50 1xsc s TRP 121 N -2.16 3.38 0.18 -0.53 0.52 -1.26 -0.39 118.94 118.68 1xsc s TRP 121 Ca -0.07 -2.40 -0.00 0.00 0.02 0.00 0.00 56.10 53.65 1xsc s TRP 121 Cb -0.01 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 1xsc s TRP 121 CO 0.01 -0.89 0.08 -0.51 0.02 0.00 0.00 176.95 175.66 1xsc s LEU 122 N 1.08 1.61 0.00 2.99 1.02 -0.96 -4.89 118.68 119.54 1xsc s LEU 122 Ca -0.04 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 52.82 1xsc s LEU 122 Cb -0.20 0.22 0.00 0.00 0.02 0.00 0.00 46.19 46.23 1xsc s LEU 122 CO -0.05 -0.74 0.00 0.61 0.02 0.00 0.00 176.35 176.19 1xsc n GLY 123 N -0.24 -0.49 0.14 -3.19 0.00 -1.26 0.12 105.19 100.27 1xsc n GLY 123 Ca -0.02 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 0.59 -0.20 0.99 5.85 -1.92 -1.77 115.31 118.85 1xsc h LEU 124 Ca 0.00 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1xsc h LEU 124 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1xsc h LEU 124 CO 0.00 1.35 0.13 1.05 -0.34 0.00 0.00 178.44 180.62 1xsc h GLU 125 N -0.09 0.25 -0.10 1.25 4.11 -1.97 0.12 114.58 118.15 1xsc h GLU 125 Ca -0.11 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.16 1xsc h GLU 125 Cb 1.52 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.72 1xsc h GLU 125 CO 0.15 0.17 -0.48 0.93 0.07 0.00 0.00 179.01 179.85 1xsc h GLU 126 N 0.26 0.51 -0.06 1.06 3.07 -1.92 0.26 114.58 117.76 1xsc h GLU 126 Ca 0.07 -0.41 0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1xsc h GLU 126 Cb -0.03 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1xsc h GLU 126 CO -0.02 1.04 0.05 0.00 -1.40 0.00 0.00 179.01 178.67 1xsc h ALA 127 N 0.48 2.04 0.07 3.43 0.00 -1.25 0.76 119.26 124.80 1xsc h ALA 127 Ca -0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 1xsc h ALA 127 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1xsc h ALA 127 CO 0.10 -0.08 -1.48 0.00 0.00 0.00 0.00 179.25 177.79 1xsc h GLN 129 N 0.04 0.69 -0.02 0.00 -0.00 0.93 -3.07 115.11 113.68 1xsc h GLN 129 Ca -0.21 -0.24 -0.11 0.00 -0.00 0.00 0.00 58.65 58.09 1xsc h GLN 129 Cb 1.97 -0.05 0.01 0.00 -0.00 0.00 0.00 27.48 29.40 1xsc h GLN 129 CO 0.14 0.81 -0.42 -0.07 -0.00 0.00 0.00 178.83 179.29 1xsc h LEU 130 N 0.51 0.40 -4.47 0.06 3.38 -1.05 -3.28 115.31 110.86 1xsc h LEU 130 Ca 0.10 -0.74 -0.41 0.00 0.09 0.00 0.00 57.88 56.92 1xsc h LEU 130 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1xsc h LEU 130 CO 0.03 1.08 1.49 0.00 0.09 0.00 0.00 178.44 181.13 1xsc n ALA 131 N -2.55 6.91 -0.55 1.53 0.00 -0.80 -4.30 120.51 120.74 1xsc n ALA 131 Ca -0.10 -2.62 0.44 0.00 0.00 0.00 0.00 53.44 51.16 1xsc n ALA 131 Cb 0.58 -2.78 0.71 0.00 0.00 0.00 0.00 19.45 17.96 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 2.91 -0.02 -1.68 0.00 -0.00 -1.16 -3.80 117.38 113.62 1xsc n GLN 132 Ca 0.59 1.13 -0.49 0.00 -0.00 0.00 0.00 57.00 58.23 1xsc n GLN 132 Cb 0.61 -2.38 -0.05 0.00 -0.00 0.00 0.00 30.24 28.42 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsc n PHE 133 N -4.30 2.27 -0.26 2.61 3.01 -1.26 -4.84 117.46 114.68 1xsc n PHE 133 Ca 0.40 0.06 0.05 0.00 1.01 0.00 0.00 57.45 58.98 1xsc n PHE 133 Cb 1.68 -2.64 0.16 0.00 -0.01 0.00 0.00 39.48 38.67 1xsc n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsc h LYS 134 N 9.21 0.09 -0.17 -1.08 3.64 -1.97 -1.36 116.57 124.94 1xsc h LYS 134 Ca -0.47 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1xsc h LYS 134 Cb 1.28 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1xsc h LYS 134 CO 0.95 0.06 -0.42 0.93 -2.27 0.00 0.00 179.45 178.70 1xsc h GLU 135 N 0.09 -0.46 -0.27 1.90 3.07 -1.90 -1.17 114.58 115.84 1xsc h GLU 135 Ca 0.42 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1xsc h GLU 135 Cb 0.74 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 1xsc h GLU 135 CO -0.69 -0.30 0.14 0.52 -1.40 0.00 0.00 179.01 177.28 1xsc h MET 136 N -0.47 0.39 -0.94 2.33 2.86 -1.59 -1.28 114.93 116.22 1xsc h MET 136 Ca 0.08 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.89 1xsc h MET 136 Cb 0.62 -0.07 -0.12 0.00 0.06 0.00 0.00 31.60 32.09 1xsc h MET 136 CO -0.42 0.37 0.50 0.87 1.06 0.00 0.00 176.91 179.29 1xsc h LYS 137 N 0.32 0.52 -0.12 1.72 1.57 -0.87 0.14 116.57 119.84 1xsc h LYS 137 Ca 0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1xsc h LYS 137 Cb 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1xsc h LYS 137 CO -0.01 0.34 -0.08 0.00 -0.57 0.00 0.00 179.45 179.13 1xsc h ALA 138 N 1.69 0.17 -0.88 3.86 0.00 -0.79 0.54 119.26 123.84 1xsc h ALA 138 Ca 0.58 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1xsc h ALA 138 Cb 1.06 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1xsc h ALA 138 CO -0.47 -0.03 0.48 0.00 0.00 0.00 0.00 179.25 179.23 1xsc h ALA 139 N 0.62 1.36 0.00 0.00 0.00 0.29 0.55 119.26 122.08 1xsc h ALA 139 Ca 0.02 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1xsc h ALA 139 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xsc h ALA 139 CO 0.02 -0.07 -0.94 -0.07 0.00 0.00 0.00 179.25 178.19 1xsc h LEU 140 N 0.67 0.00 0.17 0.00 3.38 -0.76 -2.46 115.31 116.31 1xsc h LEU 140 Ca 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1xsc h LEU 140 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xsc h LEU 140 CO -0.36 0.82 -0.08 1.56 0.09 0.00 0.00 178.44 180.46 1xsc h GLN 141 N 0.00 -0.23 0.00 1.13 1.08 0.28 -2.98 115.11 114.39 1xsc h GLN 141 Ca -0.04 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 1xsc h GLN 141 Cb 1.66 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 1xsc h GLN 141 CO 0.10 0.10 -0.39 0.93 -0.95 0.00 0.00 178.83 178.62 1xsc h GLU 142 N -0.57 0.00 -0.29 1.46 3.07 -0.18 -2.77 114.58 115.30 1xsc h GLU 142 Ca -0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1xsc h GLU 142 Cb 0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1xsc h GLU 142 CO 0.04 0.39 0.14 0.78 -1.40 0.00 0.00 179.01 178.96 1xsc h GLY 143 N 2.50 0.39 2.00 -3.84 0.00 -1.39 0.37 103.07 103.10 1xsc h GLY 143 Ca -0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.06 1xsc h GLY 143 CO 0.05 0.08 -0.78 0.84 0.00 0.00 0.00 176.54 176.73 1xsc h HIS 144 N 0.30 0.00 0.16 5.60 -0.00 -1.54 -2.71 115.15 116.96 1xsc h HIS 144 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1xsc h HIS 144 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1xsc h HIS 144 CO -0.10 0.78 -0.08 0.37 -0.00 0.00 0.00 177.93 178.90 1xsc h GLN 145 N 0.00 -0.21 -0.22 5.26 5.75 -1.13 -2.45 115.11 122.11 1xsc h GLN 145 Ca -0.01 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xsc h GLN 145 Cb 1.40 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.99 1xsc h GLN 145 CO 0.10 0.19 0.12 0.35 -2.65 0.00 0.00 178.83 176.94 1xsc h PHE 146 N -0.66 0.30 -0.68 3.99 3.04 -0.38 -2.81 116.94 119.74 1xsc h PHE 146 Ca -0.02 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.02 1xsc h PHE 146 Cb 0.48 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.83 1xsc h PHE 146 CO 0.06 0.27 0.32 -0.07 -2.02 0.00 0.00 178.31 176.86 1xsc h LEU 147 N 0.25 0.39 -0.37 0.59 3.38 -1.55 0.32 115.31 118.32 1xsc h LEU 147 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xsc h LEU 147 Cb 0.06 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsc h LEU 147 CO -0.01 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.74 1xsc n SER 149 N -1.82 0.63 0.00 0.00 2.88 0.11 -4.88 113.62 110.54 1xsc n SER 149 Ca 0.02 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1xsc n SER 149 Cb 0.15 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 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 -1.87 0.00 -0.02 2.46 5.41 -0.69 -5.05 119.36 119.60 1xsc n ILE 150 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.76 1xsc n ILE 150 Cb 0.42 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.34 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 0.14 -2.14 0.38 2.13 -1.26 -4.97 120.64 114.92 1xsc n GLU 151 Ca 0.00 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.61 1xsc n GLU 151 Cb 0.00 -0.88 -0.01 0.00 0.27 0.00 0.00 31.44 30.82 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsc s ALA 152 N -2.95 3.31 -0.99 4.31 0.00 -1.26 -5.07 121.76 119.11 1xsc s ALA 152 Ca -0.06 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.15 1xsc s ALA 152 Cb 0.01 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.73 1xsc s ALA 152 CO 0.09 -0.69 0.75 1.28 0.00 0.00 0.00 175.76 177.19