#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 0.59 -6.95 1.61 0.13 -2.05 -3.45 132.00 121.88 1xsc h PRO 2 Ca 0.00 -0.43 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1xsc h PRO 2 Cb 0.00 0.07 0.09 0.00 0.13 0.00 0.00 31.00 31.29 1xsc h PRO 2 CO 0.00 1.05 0.63 -0.48 -0.23 0.00 0.00 178.00 178.97 1xsc s LEU 3 N -8.27 4.20 0.00 1.56 2.34 -1.26 -4.54 118.68 112.70 1xsc s LEU 3 Ca -0.08 2.70 0.00 0.00 0.06 0.00 0.00 54.13 56.81 1xsc s LEU 3 Cb 0.10 -3.91 0.00 0.00 -0.56 0.00 0.00 46.19 41.82 1xsc s LEU 3 CO 0.86 -0.91 0.00 0.61 -1.06 0.00 0.00 176.35 175.85 1xsc n GLY 4 N 0.65 0.18 0.02 -3.48 0.00 -1.26 -4.72 105.19 96.58 1xsc n GLY 4 Ca 0.04 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.59 1xsc n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsc n SER 5 N 0.00 0.24 -4.08 1.61 7.64 -1.26 -4.98 113.62 112.80 1xsc n SER 5 Ca 0.00 -0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.50 1xsc n SER 5 Cb 0.00 1.65 0.26 0.00 -1.01 0.00 0.00 64.21 65.10 1xsc n SER 5 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1xsc n MET 6 N -2.20 -3.09 -0.97 1.43 2.00 -1.26 -4.83 117.12 108.21 1xsc n MET 6 Ca -0.02 -0.89 0.12 0.00 0.00 0.00 0.00 57.70 56.91 1xsc n MET 6 Cb 0.53 -1.99 -0.06 0.00 0.00 0.00 0.00 33.22 31.70 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsc n ALA 7 N -5.15 -2.54 -2.85 3.04 0.00 -1.26 -4.87 120.51 106.88 1xsc n ALA 7 Ca 0.05 0.58 -0.35 0.00 0.00 0.00 0.00 53.44 53.72 1xsc n ALA 7 Cb 0.56 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -6.30 3.74 -0.18 0.00 1.02 0.19 -4.97 118.68 112.18 1xsc s LEU 8 Ca 0.00 0.02 -0.29 0.00 0.02 0.00 0.00 54.13 53.88 1xsc s LEU 8 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.25 1xsc s LEU 8 CO 0.00 0.13 1.05 -0.60 0.02 0.00 0.00 176.35 176.95 1xsc s ARG 9 N 0.64 4.31 0.07 1.70 3.52 -1.26 -0.69 118.95 127.24 1xsc s ARG 9 Ca 0.03 1.40 -0.00 0.00 -0.13 0.00 0.00 55.73 57.03 1xsc s ARG 9 Cb -0.13 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 1xsc s ARG 9 CO 0.02 -0.53 -0.03 0.00 -0.81 0.00 0.00 175.30 173.94 1xsc s ALA 10 N 2.82 0.68 -0.14 6.12 0.00 0.78 -2.97 121.76 129.05 1xsc s ALA 10 Ca 0.46 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1xsc s ALA 10 Cb -0.17 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.31 1xsc s ALA 10 CO 0.11 -0.34 0.30 0.00 0.00 0.00 0.00 175.76 175.83 1xsc s GLY 12 N 2.04 2.40 -0.17 0.00 0.00 0.06 -2.36 107.32 109.29 1xsc s GLY 12 Ca -0.03 -2.00 0.01 0.00 0.00 0.00 0.00 44.72 42.70 1xsc s GLY 12 CO -0.10 -1.96 -0.12 -2.27 0.00 0.00 0.00 173.10 168.66 1xsc s LEU 13 N -3.90 1.96 -0.93 0.66 0.20 -1.23 -3.68 118.68 111.77 1xsc s LEU 13 Ca 0.38 -0.68 -0.23 0.00 0.69 0.00 0.00 54.13 54.29 1xsc s LEU 13 Cb 0.04 -1.19 0.07 0.00 -0.43 0.00 0.00 46.19 44.68 1xsc s LEU 13 CO 0.21 -0.10 1.31 -0.63 -0.29 0.00 0.00 176.35 176.84 1xsc s ILE 14 N 1.45 4.11 0.30 6.68 1.01 0.18 -4.41 121.20 130.52 1xsc s ILE 14 Ca 0.02 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1xsc s ILE 14 Cb -0.15 -4.94 -0.09 0.00 0.01 0.00 0.00 42.46 37.29 1xsc s ILE 14 CO -0.09 -1.79 0.84 -0.63 0.00 0.00 0.00 174.94 173.27 1xsc s ILE 15 N 4.49 4.41 -0.16 2.92 1.01 -1.26 0.35 121.20 132.96 1xsc s ILE 15 Ca 0.39 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 1xsc s ILE 15 Cb -0.04 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1xsc s ILE 15 CO -0.04 0.07 0.35 0.72 0.00 0.00 0.00 174.94 176.03 1xsc s PHE 16 N -1.69 -0.57 -0.38 3.97 -0.12 0.96 -1.39 117.98 118.76 1xsc s PHE 16 Ca 0.50 1.19 -0.24 0.00 -0.05 0.00 0.00 56.93 58.33 1xsc s PHE 16 Cb -0.16 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.40 1xsc s PHE 16 CO 0.21 -0.37 0.80 0.50 -0.05 0.00 0.00 175.22 176.31 1xsc s ARG 17 N 2.04 3.70 -0.39 1.99 3.00 0.25 -3.72 118.95 125.82 1xsc s ARG 17 Ca -0.04 0.27 -0.24 0.00 -1.00 0.00 0.00 55.73 54.72 1xsc s ARG 17 Cb -0.11 -3.83 0.01 0.00 0.00 0.00 0.00 34.95 31.02 1xsc s ARG 17 CO -0.11 -0.92 0.82 0.50 0.00 0.00 0.00 175.30 175.59 1xsc s ARG 18 N 3.20 3.70 0.74 5.12 3.52 -1.26 -2.99 118.95 130.97 1xsc s ARG 18 Ca 0.32 0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 56.10 1xsc s ARG 18 Cb -0.13 -3.84 0.03 0.00 -1.56 0.00 0.00 34.95 29.46 1xsc s ARG 18 CO 0.18 -0.94 1.08 0.00 -0.81 0.00 0.00 175.30 174.81 1xsc n LEU 20 N -3.33 0.00 -4.52 0.00 7.94 -1.26 -4.86 117.00 110.96 1xsc n LEU 20 Ca 0.08 0.38 -0.30 0.00 -1.11 0.00 0.00 56.01 55.07 1xsc n LEU 20 Cb 0.53 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.37 1xsc n LEU 20 CO 0.54 0.00 -0.46 0.27 -1.11 0.00 0.00 177.39 176.64 1xsc s ILE 21 N -0.76 3.10 0.71 1.96 -5.25 -1.26 -5.13 121.20 114.57 1xsc s ILE 21 Ca 0.00 -1.28 -0.12 0.00 -0.99 0.00 0.00 60.65 58.26 1xsc s ILE 21 Cb 0.00 -2.40 0.02 0.00 2.95 0.00 0.00 42.46 43.03 1xsc s ILE 21 CO 0.00 0.18 1.08 -2.84 -1.79 0.00 0.00 174.94 171.57 1xsc s PRO 22 N -1.95 2.68 0.00 0.37 0.02 -1.26 -5.04 135.00 129.81 1xsc s PRO 22 Ca 0.18 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.33 1xsc s PRO 22 Cb -0.11 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1xsc s PRO 22 CO 0.10 -1.32 0.00 1.63 -0.33 0.00 0.00 177.00 177.09 1xsc n LYS 23 N -3.08 0.00 -0.06 5.54 4.01 -1.26 -4.78 118.16 118.53 1xsc n LYS 23 Ca 0.09 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.00 1xsc n LYS 23 Cb 0.53 -0.03 0.43 0.00 -0.51 0.00 0.00 35.03 35.45 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 -1.42 0.15 -1.45 -0.18 0.31 -1.26 -4.90 118.33 109.58 1xsc n VAL 24 Ca 0.00 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 63.89 1xsc n VAL 24 Cb 0.00 0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.13 -5.02 0.00 4.52 8.00 -1.26 -4.85 116.55 118.07 1xsc n ASP 25 Ca 0.16 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1xsc n ASP 25 Cb 0.29 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 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 -0.68 0.00 -4.59 -2.24 2.85 -1.26 -4.99 115.26 104.36 1xsc n ASN 26 Ca -0.15 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.92 1xsc n ASN 26 Cb 0.53 -0.19 -0.09 0.00 1.24 0.00 0.00 39.78 41.27 1xsc n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1xsc s ASN 27 N -3.80 6.24 0.00 1.20 2.20 -1.26 -4.88 114.94 114.64 1xsc s ASN 27 Ca 0.00 0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.05 1xsc s ASN 27 Cb 0.00 -2.22 0.00 0.00 -2.00 0.00 0.00 41.25 37.03 1xsc s ASN 27 CO 0.00 -0.26 0.00 0.00 -2.94 0.00 0.00 177.10 173.90 1xsc n ALA 28 N 5.40 2.85 -2.88 3.54 0.00 -1.26 -4.72 120.51 123.43 1xsc n ALA 28 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1xsc n ALA 28 Cb 0.50 0.31 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 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 -1.94 5.22 -0.03 0.00 1.01 -1.26 -3.65 121.20 120.55 1xsc s ILE 29 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1xsc s ILE 29 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1xsc s ILE 29 CO 0.00 0.22 -0.05 -1.61 0.00 0.00 0.00 174.94 173.50 1xsc s GLU 30 N -2.24 0.66 0.13 2.79 8.01 -1.16 -4.23 118.70 122.67 1xsc s GLU 30 Ca 0.31 -0.15 -0.04 0.00 0.01 0.00 0.00 54.97 55.10 1xsc s GLU 30 Cb -0.13 -0.67 -0.05 0.00 -4.31 0.00 0.00 34.13 28.97 1xsc s GLU 30 CO 0.23 0.02 0.35 -0.06 0.01 0.00 0.00 175.26 175.80 1xsc s PHE 31 N 0.44 3.48 0.10 1.61 0.08 0.32 0.84 117.98 124.85 1xsc s PHE 31 Ca -0.06 0.50 -0.27 0.00 0.12 0.00 0.00 56.93 57.22 1xsc s PHE 31 Cb -0.09 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1xsc s PHE 31 CO -0.00 0.46 0.83 -1.17 -0.10 0.00 0.00 175.22 175.25 1xsc s LEU 32 N -2.64 4.50 0.01 -0.37 2.96 -0.48 -2.88 118.68 119.78 1xsc s LEU 32 Ca 0.40 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1xsc s LEU 32 Cb -0.12 -3.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1xsc s LEU 32 CO 0.25 0.04 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.50 1xsc s LEU 33 N -0.32 2.08 -0.21 -0.68 1.43 -0.99 -4.37 118.68 115.63 1xsc s LEU 33 Ca 0.41 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1xsc s LEU 33 Cb -0.22 -0.27 0.05 0.00 0.03 0.00 0.00 46.19 45.77 1xsc s LEU 33 CO 0.26 0.00 -0.11 -0.76 0.23 0.00 0.00 176.35 175.98 1xsc s LEU 34 N -0.52 2.53 -0.04 1.79 1.43 -1.07 -1.53 118.68 121.27 1xsc s LEU 34 Ca -0.01 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 1xsc s LEU 34 Cb -0.04 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1xsc s LEU 34 CO -0.00 -0.15 1.52 -1.58 0.23 0.00 0.00 176.35 176.36 1xsc s GLN 35 N 1.33 4.22 0.20 1.70 0.74 0.12 -0.97 119.66 126.99 1xsc s GLN 35 Ca -0.03 2.06 -0.33 0.00 0.05 0.00 0.00 55.36 57.12 1xsc s GLN 35 Cb -0.17 -3.78 -0.13 0.00 1.10 0.00 0.00 33.01 30.04 1xsc s GLN 35 CO -0.08 -0.73 1.67 0.00 -0.55 0.00 0.00 175.29 175.61 1xsc n ALA 36 N 6.31 2.35 1.34 1.58 0.00 0.33 -0.52 120.51 131.90 1xsc n ALA 36 Ca 0.15 0.41 0.10 0.00 0.00 0.00 0.00 53.44 54.11 1xsc n ALA 36 Cb 0.43 -2.47 0.61 0.00 0.00 0.00 0.00 19.45 18.03 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N 3.70 0.00 -0.50 0.00 3.41 -0.28 -4.33 113.62 115.62 1xsc n SER 37 Ca 0.16 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1xsc n SER 37 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.98 0.00 0.00 4.04 8.00 -1.26 -4.93 116.55 121.41 1xsc n ASP 38 Ca 0.16 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1xsc n ASP 38 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xsc n GLY 39 N 0.00 2.63 1.05 0.44 0.00 -1.26 -2.13 105.19 105.92 1xsc n GLY 39 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 0.72 -3.02 -0.61 -5.35 -1.26 -4.94 119.36 104.91 1xsc n ILE 40 Ca 0.00 -0.75 -0.13 0.00 -0.27 0.00 0.00 62.75 61.60 1xsc n ILE 40 Cb 0.00 0.44 0.06 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.18 -1.98 -4.10 4.28 8.25 -0.91 -5.02 115.22 116.92 1xsc n HIS 41 Ca 0.19 0.73 -0.30 0.00 -0.26 0.00 0.00 57.72 58.08 1xsc n HIS 41 Cb 0.49 -4.05 -0.07 0.00 1.12 0.00 0.00 29.99 27.48 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 -3.32 3.07 -0.05 4.41 -3.43 -1.26 -4.75 115.29 109.96 1xsc s HIS 42 Ca 0.27 0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.42 1xsc s HIS 42 Cb -0.04 -1.56 -0.05 0.00 -1.43 0.00 0.00 32.58 29.50 1xsc s HIS 42 CO 0.61 0.50 0.31 -1.58 -2.00 0.00 0.00 174.74 172.58 1xsc s TRP 43 N -1.38 3.66 -0.21 0.38 0.52 -1.25 0.12 118.94 120.79 1xsc s TRP 43 Ca 0.27 0.80 -0.17 0.00 0.02 0.00 0.00 56.10 57.03 1xsc s TRP 43 Cb -0.12 -2.17 0.06 0.00 -1.15 0.00 0.00 33.47 30.09 1xsc s TRP 43 CO 0.20 0.65 0.54 0.95 0.02 0.00 0.00 176.95 179.30 1xsc s THR 44 N -0.94 -0.00 1.08 2.01 -4.23 -0.15 -4.42 115.64 108.99 1xsc s THR 44 Ca 0.20 0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.53 1xsc s THR 44 Cb -0.15 -0.76 0.03 0.00 1.34 0.00 0.00 72.50 72.96 1xsc s THR 44 CO 0.09 0.01 -0.34 -2.65 -0.54 0.00 0.00 174.62 171.19 1xsc n PRO 45 N 3.29 -1.16 -2.46 3.99 -0.02 -1.26 -2.59 135.00 134.79 1xsc n PRO 45 Ca -0.16 -0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 60.58 1xsc n PRO 45 Cb 0.56 -1.54 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 1xsc n PRO 45 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xsc s PRO 46 N -3.10 3.15 0.16 0.52 0.05 -1.26 -4.79 135.00 129.73 1xsc s PRO 46 Ca 0.51 -0.00 0.00 0.00 0.05 0.00 0.00 61.00 61.56 1xsc s PRO 46 Cb -0.07 -4.19 -0.00 0.00 0.05 0.00 0.00 34.50 30.29 1xsc s PRO 46 CO 0.67 -2.17 0.00 0.36 0.05 0.00 0.00 177.00 175.91 1xsc n LYS 47 N 9.20 1.54 0.00 4.56 2.85 -1.26 -3.24 118.16 131.80 1xsc n LYS 47 Ca 0.07 -1.19 0.00 0.00 -1.05 0.00 0.00 58.31 56.14 1xsc n LYS 47 Cb 0.49 0.34 0.00 0.00 -0.65 0.00 0.00 35.03 35.22 1xsc n LYS 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xsc n GLY 48 N 2.89 2.63 2.93 2.58 0.00 -1.00 -4.83 105.19 110.40 1xsc n GLY 48 Ca -0.06 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1xsc n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsc s HIS 49 N 0.43 1.13 0.11 1.61 0.09 -1.26 -3.22 115.29 114.17 1xsc s HIS 49 Ca 0.00 -0.42 -0.28 0.00 -0.00 0.00 0.00 55.06 54.36 1xsc s HIS 49 Cb 0.00 -0.92 -0.06 0.00 -0.00 0.00 0.00 32.58 31.60 1xsc s HIS 49 CO 0.00 -0.29 0.89 0.54 -0.00 0.00 0.00 174.74 175.88 1xsc s VAL 50 N 1.05 4.51 0.68 -0.90 0.11 -1.16 -4.94 120.40 119.75 1xsc s VAL 50 Ca -0.08 1.93 -0.05 0.00 -2.93 0.00 0.00 61.98 60.85 1xsc s VAL 50 Cb -0.14 -4.25 0.06 0.00 -1.53 0.00 0.00 36.38 30.51 1xsc s VAL 50 CO -0.01 0.36 0.97 -1.83 -3.33 0.00 0.00 175.10 171.27 1xsc s GLU 51 N -0.21 2.22 0.07 1.54 -1.05 -1.26 -4.89 118.70 115.12 1xsc s GLU 51 Ca 0.43 -0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 54.62 1xsc s GLU 51 Cb -0.23 -2.24 -0.09 0.00 -0.44 0.00 0.00 34.13 31.13 1xsc s GLU 51 CO 0.28 -1.16 1.37 -1.35 0.95 0.00 0.00 175.26 175.35 1xsc h PRO 52 N -0.48 -0.43 -0.76 -4.83 0.11 -2.00 -2.28 132.00 121.33 1xsc h PRO 52 Ca -0.44 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xsc h PRO 52 Cb 1.31 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1xsc h PRO 52 CO 0.57 -0.29 0.00 0.41 -0.21 0.00 0.00 178.00 178.49 1xsc n GLY 53 N -1.31 2.13 3.93 -0.55 0.00 -1.26 -4.92 105.19 103.21 1xsc n GLY 53 Ca -0.05 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.85 3.43 0.57 1.61 2.12 -0.86 -5.09 118.70 118.63 1xsc s GLU 54 Ca 0.27 -0.09 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 1xsc s GLU 54 Cb 0.20 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.08 1xsc s GLU 54 CO 0.09 -0.11 0.90 0.34 -0.54 0.00 0.00 175.26 175.94 1xsc s ASP 55 N -4.10 5.86 -0.03 -1.70 2.15 -1.26 -4.78 116.67 112.81 1xsc s ASP 55 Ca 0.45 0.90 -0.10 0.00 0.43 0.00 0.00 52.55 54.23 1xsc s ASP 55 Cb -0.10 -1.99 -0.06 0.00 -0.30 0.00 0.00 42.92 40.48 1xsc s ASP 55 CO 0.41 -0.91 0.55 0.44 -0.17 0.00 0.00 175.17 175.49 1xsc h ASP 56 N -0.11 -0.32 -0.66 -0.34 3.45 -1.98 -3.02 116.42 113.44 1xsc h ASP 56 Ca -0.46 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.00 1xsc h ASP 56 Cb 1.23 0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 40.05 1xsc h ASP 56 CO 0.61 -0.02 0.34 0.25 -1.57 0.00 0.00 179.24 178.86 1xsc h LEU 57 N -0.80 0.84 -0.65 1.55 5.85 -1.96 -2.80 115.31 117.35 1xsc h LEU 57 Ca -0.04 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.70 1xsc h LEU 57 Cb 0.29 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 1xsc h LEU 57 CO 0.06 0.72 0.11 -0.33 -0.34 0.00 0.00 178.44 178.66 1xsc h GLU 58 N 0.91 0.22 -0.88 1.25 5.08 -1.98 1.11 114.58 120.28 1xsc h GLU 58 Ca 0.23 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.71 1xsc h GLU 58 Cb 0.08 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1xsc h GLU 58 CO -0.03 0.14 0.57 1.15 -1.00 0.00 0.00 179.01 179.84 1xsc h THR 59 N 0.22 0.87 0.04 1.13 2.02 -1.35 1.21 112.91 117.05 1xsc h THR 59 Ca 0.35 -0.25 -0.22 0.00 0.77 0.00 0.00 66.41 67.05 1xsc h THR 59 Cb 0.56 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1xsc h THR 59 CO -0.47 0.13 -1.01 0.00 0.37 0.00 0.00 175.52 174.55 1xsc h ALA 60 N 1.59 0.36 0.16 6.16 0.00 -0.05 -1.99 119.26 125.48 1xsc h ALA 60 Ca 0.43 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1xsc h ALA 60 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xsc h ALA 60 CO -0.20 1.01 -0.08 -0.07 0.00 0.00 0.00 179.25 179.92 1xsc h LEU 61 N 0.07 -0.18 -1.01 0.00 3.38 0.40 -1.38 115.31 116.59 1xsc h LEU 61 Ca -0.06 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1xsc h LEU 61 Cb 1.70 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1xsc h LEU 61 CO 0.15 0.32 0.42 0.03 0.09 0.00 0.00 178.44 179.45 1xsc h ARG 62 N -0.76 1.12 -0.27 1.13 3.08 0.12 -1.46 114.38 117.33 1xsc h ARG 62 Ca -0.02 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1xsc h ARG 62 Cb 0.52 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1xsc h ARG 62 CO 0.04 0.83 -0.07 0.00 -1.07 0.00 0.00 179.97 179.70 1xsc h ALA 63 N 1.34 1.37 0.11 0.04 0.00 -1.39 -0.40 119.26 120.33 1xsc h ALA 63 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsc h ALA 63 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xsc h ALA 63 CO -0.04 0.43 -0.11 1.15 0.00 0.00 0.00 179.25 180.68 1xsc h THR 64 N 0.41 0.75 0.00 0.00 2.02 -0.15 0.45 112.91 116.39 1xsc h THR 64 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1xsc h THR 64 Cb 0.39 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1xsc h THR 64 CO 0.02 0.00 -0.06 0.06 0.37 0.00 0.00 175.52 175.91 1xsc h GLN 65 N -0.24 0.00 0.15 6.66 3.07 0.34 0.95 115.11 126.04 1xsc h GLN 65 Ca 0.01 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.48 1xsc h GLN 65 Cb 0.24 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.82 1xsc h GLN 65 CO -0.03 0.06 -1.12 0.93 0.09 0.00 0.00 178.83 178.76 1xsc h GLU 66 N 0.00 0.50 -0.29 0.06 4.39 -0.25 0.15 114.58 119.14 1xsc h GLU 66 Ca -0.00 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.96 1xsc h GLU 66 Cb 0.68 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1xsc h GLU 66 CO 0.01 1.33 0.00 0.39 -1.16 0.00 0.00 179.01 179.58 1xsc n GLU 67 N -3.91 2.16 0.00 2.33 1.02 0.15 -3.61 120.64 118.78 1xsc n GLU 67 Ca -0.14 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.10 1xsc n GLU 67 Cb 0.94 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.81 0.00 -0.62 0.62 0.00 0.32 -3.94 120.51 117.69 1xsc n ALA 68 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xsc n ALA 68 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.76 3.67 0.00 0.00 0.51 -0.73 105.19 109.41 1xsc n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.54 5.23 0.36 -0.61 1.01 -1.20 -4.71 121.20 118.75 1xsc s ILE 70 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.86 1xsc s ILE 70 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 1xsc s ILE 70 CO 0.00 0.40 0.27 -1.83 0.00 0.00 0.00 174.94 173.78 1xsc s GLU 71 N 0.68 2.55 0.45 2.79 1.03 -1.26 0.53 118.70 125.47 1xsc s GLU 71 Ca 0.07 -1.46 0.27 0.00 0.03 0.00 0.00 54.97 53.88 1xsc s GLU 71 Cb -0.12 -2.34 1.31 0.00 -0.80 0.00 0.00 34.13 32.18 1xsc s GLU 71 CO 0.01 0.01 1.73 0.00 -1.33 0.00 0.00 175.26 175.69 1xsc h ALA 72 N 1.29 2.63 0.00 -0.84 0.00 -1.89 1.08 119.26 121.53 1xsc h ALA 72 Ca -0.43 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1xsc h ALA 72 Cb 1.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xsc h ALA 72 CO 0.60 -1.08 -0.20 0.78 0.00 0.00 0.00 179.25 179.35 1xsc h GLY 73 N 0.21 0.00 -0.06 0.00 0.00 -1.98 -2.61 103.07 98.63 1xsc h GLY 73 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1xsc h GLY 73 CO -0.25 0.00 -0.40 -1.06 0.00 0.00 0.00 176.54 174.83 1xsc n GLN 74 N -3.40 0.80 -2.33 4.80 1.13 0.37 -4.94 117.38 113.79 1xsc n GLN 74 Ca -0.00 -0.55 -0.03 0.00 -1.94 0.00 0.00 57.00 54.47 1xsc n GLN 74 Cb 0.39 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.62 0.00 -3.56 1.08 -0.00 -0.75 0.49 117.00 113.64 1xsc n LEU 75 Ca 0.10 -0.44 -0.29 0.00 -0.00 0.00 0.00 56.01 55.38 1xsc n LEU 75 Cb 0.38 0.16 -0.15 0.00 -0.00 0.00 0.00 43.42 43.82 1xsc n LEU 75 CO 0.29 -0.07 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.39 1xsc s THR 76 N -1.84 0.07 -0.11 1.47 2.01 -0.03 -4.77 115.64 112.44 1xsc s THR 76 Ca 0.03 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 1xsc s THR 76 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1xsc s THR 76 CO 0.02 -0.75 1.43 -0.63 -0.69 0.00 0.00 174.62 174.01 1xsc s ILE 77 N 1.94 3.96 0.03 1.82 -1.09 -1.25 -1.96 121.20 124.64 1xsc s ILE 77 Ca 0.10 1.18 -0.30 0.00 -2.23 0.00 0.00 60.65 59.40 1xsc s ILE 77 Cb -0.17 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1xsc s ILE 77 CO -0.32 -0.10 0.96 -0.63 -1.23 0.00 0.00 174.94 173.62 1xsc s ILE 78 N 3.64 4.77 0.21 2.92 1.09 0.26 -4.98 121.20 129.12 1xsc s ILE 78 Ca 0.63 2.03 -0.11 0.00 -1.10 0.00 0.00 60.65 62.10 1xsc s ILE 78 Cb -0.27 -4.31 -0.07 0.00 -1.06 0.00 0.00 42.46 36.75 1xsc s ILE 78 CO 0.21 0.21 0.55 -1.61 -0.10 0.00 0.00 174.94 174.21 1xsc s GLU 79 N 0.71 3.85 0.00 2.79 2.02 -1.26 -4.18 118.70 122.63 1xsc s GLU 79 Ca 0.50 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.82 1xsc s GLU 79 Cb -0.21 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1xsc s GLU 79 CO 0.28 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.32 1xsc n GLY 80 N 0.08 2.94 3.58 -1.39 0.00 -1.26 -5.05 105.19 104.09 1xsc n GLY 80 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.73 3.20 -0.27 1.61 2.19 -1.26 -5.07 117.98 115.65 1xsc s PHE 81 Ca 0.00 -0.05 -0.11 0.00 0.33 0.00 0.00 56.93 57.10 1xsc s PHE 81 Cb 0.00 -2.17 0.10 0.00 -1.31 0.00 0.00 43.02 39.64 1xsc s PHE 81 CO 0.00 -0.03 0.61 0.21 1.83 0.00 0.00 175.22 177.83 1xsc s LYS 82 N 0.93 0.56 -0.17 10.12 2.20 -1.26 -4.76 119.74 127.37 1xsc s LYS 82 Ca 0.05 1.28 -0.14 0.00 -0.36 0.00 0.00 55.97 56.79 1xsc s LYS 82 Cb -0.14 0.52 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1xsc s LYS 82 CO 0.03 -0.19 0.44 0.50 -0.36 0.00 0.00 175.35 175.77 1xsc s ARG 83 N 2.38 0.50 -0.09 4.03 6.06 -1.26 -5.03 118.95 125.55 1xsc s ARG 83 Ca -0.07 0.66 0.02 0.00 -2.50 0.00 0.00 55.73 53.84 1xsc s ARG 83 Cb -0.10 0.20 -0.02 0.00 0.06 0.00 0.00 34.95 35.10 1xsc s ARG 83 CO -0.18 -0.08 -0.15 -1.83 -2.50 0.00 0.00 175.30 170.57 1xsc s GLU 84 N 0.45 2.99 -0.22 5.12 1.03 -1.25 -1.33 118.70 125.49 1xsc s GLU 84 Ca -0.02 -0.71 -0.19 0.00 0.03 0.00 0.00 54.97 54.08 1xsc s GLU 84 Cb -0.04 -2.50 -0.03 0.00 -0.80 0.00 0.00 34.13 30.77 1xsc s GLU 84 CO -0.02 0.38 0.55 -0.51 -1.33 0.00 0.00 175.26 174.33 1xsc s LEU 85 N -0.08 4.12 -0.17 1.83 1.43 0.19 -4.73 118.68 121.26 1xsc s LEU 85 Ca -0.03 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1xsc s LEU 85 Cb -0.14 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1xsc s LEU 85 CO 0.04 -0.24 -0.14 0.20 0.23 0.00 0.00 176.35 176.44 1xsc s ASN 86 N 1.28 3.73 -0.25 2.29 0.01 -1.24 0.08 114.94 120.83 1xsc s ASN 86 Ca 0.25 -0.48 -0.26 0.00 -0.71 0.00 0.00 52.86 51.66 1xsc s ASN 86 Cb -0.16 -1.59 0.12 0.00 0.41 0.00 0.00 41.25 40.03 1xsc s ASN 86 CO 0.09 0.05 0.98 -0.72 -1.51 0.00 0.00 177.10 176.00 1xsc s TYR 87 N 1.02 -0.49 -0.48 2.20 -0.85 -1.12 -4.91 117.35 112.71 1xsc s TYR 87 Ca -0.01 1.14 -0.28 0.00 -0.52 0.00 0.00 57.07 57.41 1xsc s TYR 87 Cb -0.15 0.37 0.03 0.00 0.38 0.00 0.00 41.96 42.59 1xsc s TYR 87 CO -0.03 -0.28 1.06 0.54 -1.52 0.00 0.00 175.55 175.32 1xsc s VAL 88 N -0.03 4.30 0.00 -3.49 0.11 -1.26 -0.26 120.40 119.77 1xsc s VAL 88 Ca 0.02 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1xsc s VAL 88 Cb -0.04 -4.55 0.00 0.00 -1.53 0.00 0.00 36.38 30.26 1xsc s VAL 88 CO -0.04 -0.96 0.00 0.00 -3.33 0.00 0.00 175.10 170.77 1xsc n ALA 89 N 7.61 0.00 -0.12 1.54 0.00 -1.00 -4.69 120.51 123.85 1xsc n ALA 89 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1xsc n ALA 89 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 0.87 0.00 0.00 0.11 -2.03 -3.43 114.38 109.90 1xsc h ARG 90 Ca 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1xsc h ARG 90 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1xsc h ARG 90 CO 0.00 0.96 0.00 -1.71 0.10 0.00 0.00 179.97 179.32 1xsc n ASN 91 N -4.13 0.00 -3.65 0.08 2.85 -1.26 -5.15 115.26 104.00 1xsc n ASN 91 Ca 0.01 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.40 1xsc n ASN 91 Cb 0.41 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.35 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsc s LYS 92 N 0.00 0.67 -0.04 1.20 2.47 -1.26 -5.09 119.74 117.70 1xsc s LYS 92 Ca 0.00 1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 55.27 1xsc s LYS 92 Cb 0.00 0.13 -0.06 0.00 -1.46 0.00 0.00 37.83 36.45 1xsc s LYS 92 CO 0.00 -0.15 1.67 -1.25 0.16 0.00 0.00 175.35 175.78 1xsc s PRO 93 N 1.52 4.18 -0.25 4.03 0.04 -1.26 -2.36 135.00 140.91 1xsc s PRO 93 Ca -0.09 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 1xsc s PRO 93 Cb -0.05 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1xsc s PRO 93 CO -0.18 -0.84 0.15 0.15 0.04 0.00 0.00 177.00 176.32 1xsc s LYS 94 N 3.93 3.96 -0.44 4.56 -0.14 0.65 0.57 119.74 132.82 1xsc s LYS 94 Ca 0.74 -0.32 -0.18 0.00 -1.36 0.00 0.00 55.97 54.85 1xsc s LYS 94 Cb -0.34 -3.51 0.03 0.00 -1.68 0.00 0.00 37.83 32.33 1xsc s LYS 94 CO 0.30 -0.03 0.50 0.99 -0.76 0.00 0.00 175.35 176.35 1xsc s THR 95 N 1.29 5.02 -0.36 2.17 2.01 0.13 -2.81 115.64 123.09 1xsc s THR 95 Ca 0.07 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1xsc s THR 95 Cb -0.14 -4.11 0.05 0.00 0.01 0.00 0.00 72.50 68.30 1xsc s THR 95 CO 0.06 -0.52 0.15 -0.69 -0.69 0.00 0.00 174.62 172.93 1xsc s VAL 96 N 2.30 3.96 -0.15 3.82 1.01 0.11 -0.16 120.40 131.30 1xsc s VAL 96 Ca 0.14 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 1xsc s VAL 96 Cb -0.17 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1xsc s VAL 96 CO 0.14 -0.26 0.75 -0.63 0.00 0.00 0.00 175.10 175.10 1xsc s ILE 97 N 1.42 4.96 0.35 2.22 -1.09 -0.93 0.58 121.20 128.70 1xsc s ILE 97 Ca -0.00 1.47 0.08 0.00 -2.23 0.00 0.00 60.65 59.97 1xsc s ILE 97 Cb -0.20 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1xsc s ILE 97 CO 0.03 0.11 0.15 -0.31 -1.23 0.00 0.00 174.94 173.68 1xsc s TYR 98 N 1.73 2.70 -0.17 3.97 2.02 -0.44 -0.76 117.35 126.39 1xsc s TYR 98 Ca 0.36 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.51 1xsc s TYR 98 Cb -0.17 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1xsc s TYR 98 CO 0.13 0.33 0.46 -1.58 -1.57 0.00 0.00 175.55 173.32 1xsc s TRP 99 N -2.44 -0.52 -0.07 2.71 0.51 -1.24 -4.08 118.94 113.81 1xsc s TRP 99 Ca 0.38 1.25 -0.30 0.00 -2.12 0.00 0.00 56.10 55.31 1xsc s TRP 99 Cb -0.02 0.19 -0.03 0.00 -0.81 0.00 0.00 33.47 32.80 1xsc s TRP 99 CO 0.23 -0.26 1.19 -0.51 -0.51 0.00 0.00 176.95 177.08 1xsc s LEU 100 N 0.41 4.27 0.02 2.99 1.43 -1.25 0.47 118.68 127.02 1xsc s LEU 100 Ca -0.01 1.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1xsc s LEU 100 Cb -0.04 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 1xsc s LEU 100 CO -0.01 -0.58 -0.12 0.00 0.23 0.00 0.00 176.35 175.86 1xsc s ALA 101 N 2.27 0.98 -0.27 4.21 0.00 0.15 0.92 121.76 130.03 1xsc s ALA 101 Ca 0.55 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1xsc s ALA 101 Cb -0.24 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.76 1xsc s ALA 101 CO 0.21 0.19 -0.07 -2.00 0.00 0.00 0.00 175.76 174.10 1xsc s GLU 102 N -0.80 2.38 0.37 0.00 2.12 -0.83 0.32 118.70 122.26 1xsc s GLU 102 Ca 0.01 -1.27 -0.26 0.00 0.36 0.00 0.00 54.97 53.81 1xsc s GLU 102 Cb -0.06 -3.00 -0.09 0.00 0.26 0.00 0.00 34.13 31.24 1xsc s GLU 102 CO 0.00 -0.57 1.13 0.14 -0.54 0.00 0.00 175.26 175.43 1xsc s VAL 103 N 1.18 3.34 -0.74 3.70 -7.23 -1.24 -0.85 120.40 118.55 1xsc s VAL 103 Ca -0.06 1.15 0.21 0.00 -1.81 0.00 0.00 61.98 61.46 1xsc s VAL 103 Cb -0.19 -3.66 0.20 0.00 0.56 0.00 0.00 36.38 33.29 1xsc s VAL 103 CO -0.04 0.13 1.64 0.29 -0.31 0.00 0.00 175.10 176.81 1xsc n LYS 104 N 0.29 0.11 -4.15 4.82 4.01 0.18 -4.67 118.16 118.76 1xsc n LYS 104 Ca 0.03 0.31 -0.22 0.00 -0.51 0.00 0.00 58.31 57.92 1xsc n LYS 104 Cb 0.47 -1.70 -0.17 0.00 -0.51 0.00 0.00 35.03 33.13 1xsc n LYS 104 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1xsc s ASP 105 N -3.70 1.25 0.26 4.39 -1.08 -1.26 -5.01 116.67 111.51 1xsc s ASP 105 Ca 0.07 -0.16 -0.04 0.00 -0.52 0.00 0.00 52.55 51.90 1xsc s ASP 105 Cb 0.10 -0.53 0.32 0.00 -1.46 0.00 0.00 42.92 41.35 1xsc s ASP 105 CO 0.37 -0.07 1.85 0.22 0.52 0.00 0.00 175.17 178.06 1xsc h TYR 106 N 7.38 1.04 -0.63 -5.34 3.20 -1.99 -0.91 116.97 119.73 1xsc h TYR 106 Ca -0.34 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.41 1xsc h TYR 106 Cb 1.15 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1xsc h TYR 106 CO 0.49 0.78 0.08 -0.40 -1.64 0.00 0.00 178.16 177.47 1xsc n ASP 107 N -4.31 5.47 -4.38 -2.11 5.68 -1.26 -5.01 116.55 110.64 1xsc n ASP 107 Ca 0.07 -3.03 -0.42 0.00 -0.50 0.00 0.00 54.79 50.90 1xsc n ASP 107 Cb 0.16 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xsc n VAL 108 N 0.37 1.28 -1.87 2.12 3.14 -0.35 -4.82 118.33 118.20 1xsc n VAL 108 Ca 0.32 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.79 1xsc n VAL 108 Cb 1.26 -0.26 -0.00 0.00 -1.06 0.00 0.00 33.84 33.78 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 -1.28 4.13 -0.41 1.45 1.03 -1.26 -4.98 118.70 117.39 1xsc s GLU 109 Ca 0.62 2.49 0.03 0.00 0.03 0.00 0.00 54.97 58.13 1xsc s GLU 109 Cb -0.64 -2.97 0.12 0.00 -0.80 0.00 0.00 34.13 29.84 1xsc s GLU 109 CO 0.60 -0.48 0.15 0.42 -1.33 0.00 0.00 175.26 174.62 1xsc s ILE 110 N -1.13 1.98 -0.55 1.83 -1.09 -1.23 -4.29 121.20 116.72 1xsc s ILE 110 Ca 0.52 -2.52 -0.19 0.00 -2.23 0.00 0.00 60.65 56.24 1xsc s ILE 110 Cb -0.45 -2.42 0.09 0.00 -1.58 0.00 0.00 42.46 38.09 1xsc s ILE 110 CO 0.61 -0.73 0.64 -0.13 -1.23 0.00 0.00 174.94 174.10 1xsc s ARG 111 N 0.56 3.06 0.13 2.79 0.52 0.10 -4.83 118.95 121.28 1xsc s ARG 111 Ca 0.14 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.01 1xsc s ARG 111 Cb -0.22 -4.20 -0.07 0.00 0.52 0.00 0.00 34.95 30.98 1xsc s ARG 111 CO -0.07 -1.38 0.53 -0.51 0.02 0.00 0.00 175.30 173.90 1xsc s LEU 112 N 2.52 4.36 0.00 2.53 1.43 -1.25 -0.27 118.68 127.99 1xsc s LEU 112 Ca 0.12 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1xsc s LEU 112 Cb -0.23 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1xsc s LEU 112 CO 0.08 0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.25 1xsc n SER 113 N 0.90 0.00 -0.04 2.29 3.41 -1.24 -4.92 113.62 114.03 1xsc n SER 113 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.60 1xsc n SER 113 Cb 0.52 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.00 0.02 -0.09 7.33 8.25 -1.26 -3.30 115.22 126.17 1xsc n HIS 114 Ca 0.00 -0.01 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1xsc n HIS 114 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1xsc n HIS 114 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1xsc n GLU 115 N -0.58 0.68 -4.44 -0.41 2.13 -1.26 -4.83 120.64 111.93 1xsc n GLU 115 Ca 0.08 0.01 -0.25 0.00 0.66 0.00 0.00 57.16 57.66 1xsc n GLU 115 Cb 0.05 -1.54 -0.11 0.00 0.27 0.00 0.00 31.44 30.11 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1xsc s HIS 116 N -2.51 2.24 0.00 4.31 3.76 -1.21 -1.13 115.29 120.75 1xsc s HIS 116 Ca -0.09 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1xsc s HIS 116 Cb 0.06 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.72 1xsc s HIS 116 CO 0.83 0.59 0.00 0.00 -0.85 0.00 0.00 174.74 175.31 1xsc n GLN 117 N -0.19 0.60 -3.94 1.40 10.64 0.32 -4.44 117.38 121.77 1xsc n GLN 117 Ca -0.09 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.97 1xsc n GLN 117 Cb 0.58 -1.00 -0.01 0.00 -0.86 0.00 0.00 30.24 28.96 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 -1.99 -0.06 0.15 2.61 0.00 -1.22 -5.00 121.76 116.26 1xsc s ALA 118 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 50.67 1xsc s ALA 118 Cb 0.00 0.89 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1xsc s ALA 118 CO 0.00 -0.90 0.51 1.52 0.00 0.00 0.00 175.76 176.89 1xsc s TYR 119 N -2.66 -0.32 -0.03 0.00 1.13 -1.26 0.10 117.35 114.32 1xsc s TYR 119 Ca 0.22 0.03 -0.13 0.00 -1.41 0.00 0.00 57.07 55.78 1xsc s TYR 119 Cb -0.03 0.41 0.02 0.00 -1.10 0.00 0.00 41.96 41.26 1xsc s TYR 119 CO 0.15 -0.81 0.29 1.03 -2.51 0.00 0.00 175.55 173.71 1xsc s ARG 120 N -3.80 0.60 -0.40 -3.49 0.52 -0.58 -4.96 118.95 106.84 1xsc s ARG 120 Ca 0.03 -0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 1xsc s ARG 120 Cb 0.00 0.27 0.06 0.00 0.52 0.00 0.00 34.95 35.80 1xsc s ARG 120 CO -0.10 -0.15 0.24 -1.58 0.02 0.00 0.00 175.30 173.72 1xsc s TRP 121 N -1.10 3.30 0.25 -0.53 0.52 -1.26 -2.34 118.94 117.78 1xsc s TRP 121 Ca -0.12 -1.32 0.01 0.00 0.02 0.00 0.00 56.10 54.69 1xsc s TRP 121 Cb -0.05 -2.75 -0.05 0.00 -1.15 0.00 0.00 33.47 29.47 1xsc s TRP 121 CO 0.03 -0.78 0.10 -0.51 0.02 0.00 0.00 176.95 175.81 1xsc s LEU 122 N 1.47 1.58 0.00 2.99 1.02 -1.14 -4.91 118.68 119.70 1xsc s LEU 122 Ca 0.02 -1.37 0.00 0.00 0.02 0.00 0.00 54.13 52.80 1xsc s LEU 122 Cb -0.22 0.07 0.00 0.00 0.02 0.00 0.00 46.19 46.07 1xsc s LEU 122 CO 0.04 -0.74 0.00 0.61 0.02 0.00 0.00 176.35 176.28 1xsc n GLY 123 N -0.42 -0.08 0.12 -3.19 0.00 -1.26 0.12 105.19 100.47 1xsc n GLY 123 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 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 0.39 0.13 0.99 5.85 -1.94 -1.96 115.31 118.77 1xsc h LEU 124 Ca 0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1xsc h LEU 124 Cb 0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1xsc h LEU 124 CO 0.00 1.20 -0.12 1.05 -0.34 0.00 0.00 178.44 180.23 1xsc h GLU 125 N -0.36 -0.27 -0.14 1.25 4.11 -1.97 0.28 114.58 117.47 1xsc h GLU 125 Ca -0.08 0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1xsc h GLU 125 Cb 1.32 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1xsc h GLU 125 CO 0.10 -0.18 -0.10 0.93 0.07 0.00 0.00 179.01 179.84 1xsc h GLU 126 N -0.28 0.32 -0.42 1.06 3.07 -1.92 0.39 114.58 116.80 1xsc h GLU 126 Ca 0.00 -0.15 0.10 0.00 -0.50 0.00 0.00 59.36 58.81 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 -0.03 0.68 0.29 0.00 -1.40 0.00 0.00 179.01 178.55 1xsc h ALA 127 N 0.64 2.23 0.02 3.43 0.00 -1.27 0.19 119.26 124.49 1xsc h ALA 127 Ca 0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1xsc h ALA 127 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1xsc h ALA 127 CO 0.03 -0.34 -1.22 0.00 0.00 0.00 0.00 179.25 177.73 1xsc h GLN 129 N 0.01 0.71 0.09 0.00 -0.00 0.27 -3.11 115.11 113.08 1xsc h GLN 129 Ca -0.10 -0.21 -0.27 0.00 -0.00 0.00 0.00 58.65 58.07 1xsc h GLN 129 Cb 1.86 -0.07 0.02 0.00 -0.00 0.00 0.00 27.48 29.28 1xsc h GLN 129 CO 0.13 0.78 -1.15 -0.07 -0.00 0.00 0.00 178.83 178.51 1xsc h LEU 130 N 0.56 0.66 -4.70 0.06 3.38 -1.19 -3.32 115.31 110.76 1xsc h LEU 130 Ca 0.12 -0.61 -0.48 0.00 0.09 0.00 0.00 57.88 57.01 1xsc h LEU 130 Cb 0.43 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xsc h LEU 130 CO 0.01 1.43 2.31 0.00 0.09 0.00 0.00 178.44 182.28 1xsc n ALA 131 N -2.60 6.85 -0.49 1.53 0.00 -0.78 -3.95 120.51 121.07 1xsc n ALA 131 Ca -0.10 -2.79 0.40 0.00 0.00 0.00 0.00 53.44 50.95 1xsc n ALA 131 Cb 0.95 -2.98 0.64 0.00 0.00 0.00 0.00 19.45 18.06 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 3.26 -0.02 -1.63 0.00 0.00 -1.25 -4.12 117.38 113.63 1xsc n GLN 132 Ca 0.63 1.06 -0.43 0.00 0.00 0.00 0.00 57.00 58.26 1xsc n GLN 132 Cb 0.45 -2.20 -0.03 0.00 0.00 0.00 0.00 30.24 28.45 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 -4.22 2.24 -0.29 2.61 3.01 -1.26 -4.84 117.46 114.71 1xsc n PHE 133 Ca 0.37 -0.24 0.11 0.00 1.01 0.00 0.00 57.45 58.70 1xsc n PHE 133 Cb 1.52 -2.76 0.26 0.00 -0.01 0.00 0.00 39.48 38.50 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 12.61 0.21 -0.06 -1.08 3.64 -1.97 -1.58 116.57 128.34 1xsc h LYS 134 Ca -0.45 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1xsc h LYS 134 Cb 1.24 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1xsc h LYS 134 CO 0.95 0.14 -0.53 0.93 -2.27 0.00 0.00 179.45 178.67 1xsc h GLU 135 N 0.21 -0.60 -0.99 1.90 3.07 -1.89 -1.14 114.58 115.15 1xsc h GLU 135 Ca 0.52 0.04 0.12 0.00 -0.50 0.00 0.00 59.36 59.54 1xsc h GLU 135 Cb 1.01 0.14 -0.09 0.00 -0.84 0.00 0.00 28.75 28.97 1xsc h GLU 135 CO -0.63 -0.40 0.62 0.52 -1.40 0.00 0.00 179.01 177.71 1xsc h MET 136 N -0.62 0.93 -0.99 2.33 2.86 -1.58 0.30 114.93 118.16 1xsc h MET 136 Ca 0.02 -0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1xsc h MET 136 Cb 0.69 -0.21 -0.09 0.00 0.06 0.00 0.00 31.60 32.05 1xsc h MET 136 CO -0.39 0.62 0.62 0.87 1.06 0.00 0.00 176.91 179.69 1xsc h LYS 137 N 0.96 0.85 0.05 1.72 6.56 -0.66 0.27 116.57 126.32 1xsc h LYS 137 Ca 0.50 -0.05 -0.16 0.00 -1.06 0.00 0.00 60.65 59.87 1xsc h LYS 137 Cb 0.51 -0.19 0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1xsc h LYS 137 CO -0.27 0.57 -0.67 0.00 -2.06 0.00 0.00 179.45 177.01 1xsc h ALA 138 N 1.58 0.02 -0.84 3.86 0.00 0.12 -0.15 119.26 123.85 1xsc h ALA 138 Ca 0.52 -0.61 0.14 0.00 0.00 0.00 0.00 54.91 54.96 1xsc h ALA 138 Cb 0.66 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1xsc h ALA 138 CO -0.29 0.35 0.42 0.00 0.00 0.00 0.00 179.25 179.73 1xsc h ALA 139 N 0.24 1.25 0.00 0.00 0.00 0.63 0.79 119.26 122.17 1xsc h ALA 139 Ca -0.10 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1xsc h ALA 139 Cb 1.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1xsc h ALA 139 CO 0.13 -0.10 -0.94 -0.07 0.00 0.00 0.00 179.25 178.27 1xsc h LEU 140 N 0.61 0.00 0.15 0.00 3.38 -0.57 -2.71 115.31 116.17 1xsc h LEU 140 Ca 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1xsc h LEU 140 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xsc h LEU 140 CO -0.36 0.94 -0.07 1.56 0.09 0.00 0.00 178.44 180.59 1xsc h GLN 141 N 0.00 -0.19 0.00 1.13 1.08 0.12 -2.94 115.11 114.31 1xsc h GLN 141 Ca -0.01 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1xsc h GLN 141 Cb 1.70 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.17 1xsc h GLN 141 CO 0.12 0.14 -0.28 0.93 -0.95 0.00 0.00 178.83 178.79 1xsc h GLU 142 N -0.55 0.00 0.18 1.46 5.08 0.34 -1.79 114.58 119.30 1xsc h GLU 142 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1xsc h GLU 142 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xsc h GLU 142 CO 0.03 0.28 -0.21 0.78 -1.00 0.00 0.00 179.01 178.89 1xsc h GLY 143 N 0.97 -0.43 1.98 -3.84 0.00 -1.36 0.53 103.07 100.93 1xsc h GLY 143 Ca -0.00 0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.45 1xsc h GLY 143 CO 0.04 -0.20 -0.56 0.84 0.00 0.00 0.00 176.54 176.66 1xsc h HIS 144 N -0.43 0.03 0.02 5.60 -0.00 -1.41 -2.11 115.15 116.85 1xsc h HIS 144 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1xsc h HIS 144 Cb 0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 1xsc h HIS 144 CO -0.17 0.58 -0.01 0.37 -0.00 0.00 0.00 177.93 178.70 1xsc h GLN 145 N 0.02 -0.03 0.19 5.26 5.75 -0.77 -1.35 115.11 124.18 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 1.00 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.56 1xsc h GLN 145 CO 0.07 0.21 -0.09 0.35 -2.65 0.00 0.00 178.83 176.73 1xsc h PHE 146 N -0.27 -0.23 -0.51 3.99 3.04 0.09 -1.93 116.94 121.12 1xsc h PHE 146 Ca -0.00 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.09 1xsc h PHE 146 Cb 0.26 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1xsc h PHE 146 CO 0.01 -0.05 0.36 -0.07 -2.02 0.00 0.00 178.31 176.54 1xsc h LEU 147 N -0.37 0.02 -0.05 0.59 3.38 -1.40 0.91 115.31 118.39 1xsc h LEU 147 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xsc h LEU 147 Cb 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xsc h LEU 147 CO 0.04 0.01 -0.13 0.00 0.09 0.00 0.00 178.44 178.45 1xsc n SER 149 N -1.37 0.43 0.00 0.00 2.88 0.30 -4.79 113.62 111.07 1xsc n SER 149 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1xsc n SER 149 Cb 0.31 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.45 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 -2.31 0.00 -0.08 2.46 5.41 0.01 -4.99 119.36 119.86 1xsc n ILE 150 Ca -0.10 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.57 1xsc n ILE 150 Cb 0.66 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.57 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 0.49 -1.66 0.38 4.07 -1.26 -4.91 120.64 117.75 1xsc n GLU 151 Ca 0.00 0.29 -0.47 0.00 -0.06 0.00 0.00 57.16 56.93 1xsc n GLU 151 Cb 0.00 -1.47 -0.04 0.00 -0.06 0.00 0.00 31.44 29.87 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsc n ALA 152 N -4.14 1.13 1.52 4.31 0.00 -1.26 -5.07 120.51 117.00 1xsc n ALA 152 Ca -0.11 0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1xsc n ALA 152 Cb 0.43 -2.58 0.55 0.00 0.00 0.00 0.00 19.45 17.84 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39