#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 0.54 1.61 0.04 -1.26 -4.82 135.00 135.52 1xsc s PRO 2 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1xsc s PRO 2 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1xsc s PRO 2 CO 0.00 -0.01 0.00 1.28 0.04 0.00 0.00 177.00 178.31 1xsc n LEU 3 N 0.74 -0.93 -3.14 -3.56 4.77 -1.26 -4.97 117.00 108.65 1xsc n LEU 3 Ca 0.01 2.15 0.02 0.00 -0.03 0.00 0.00 56.01 58.16 1xsc n LEU 3 Cb 0.45 -4.10 -0.00 0.00 -2.33 0.00 0.00 43.42 37.44 1xsc n LEU 3 CO 0.53 -2.67 0.16 -0.83 -1.33 0.00 0.00 177.39 173.25 1xsc s GLY 4 N -7.20 -1.27 0.00 -0.72 0.00 -1.26 -4.99 107.32 91.88 1xsc s GLY 4 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1xsc s GLY 4 CO 0.00 3.77 0.59 -1.14 0.00 0.00 0.00 173.10 176.33 1xsc n SER 5 N 4.75 0.00 -4.61 1.64 3.41 -1.26 -5.08 113.62 112.47 1xsc n SER 5 Ca 0.08 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 1xsc n SER 5 Cb 0.57 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1xsc n SER 5 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xsc s MET 6 N 0.00 3.95 0.50 4.33 1.75 -1.26 -4.90 119.30 123.67 1xsc s MET 6 Ca 0.00 0.53 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 1xsc s MET 6 Cb 0.00 -3.73 0.00 0.00 2.84 0.00 0.00 34.83 33.94 1xsc s MET 6 CO 0.00 -0.65 0.00 0.00 -0.65 0.00 0.00 175.02 173.72 1xsc n ALA 7 N 6.12 -3.84 -2.99 4.11 0.00 -1.26 -4.84 120.51 117.82 1xsc n ALA 7 Ca 0.03 0.72 -0.34 0.00 0.00 0.00 0.00 53.44 53.85 1xsc n ALA 7 Cb 0.48 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 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 -7.29 3.32 -0.31 0.00 1.02 0.22 -4.96 118.68 110.68 1xsc s LEU 8 Ca 0.00 -0.13 -0.29 0.00 0.02 0.00 0.00 54.13 53.73 1xsc s LEU 8 Cb 0.00 -1.82 0.01 0.00 0.02 0.00 0.00 46.19 44.41 1xsc s LEU 8 CO 0.00 0.13 1.10 -0.60 0.02 0.00 0.00 176.35 177.00 1xsc s ARG 9 N 0.58 4.07 0.26 1.70 3.52 -1.26 -0.79 118.95 127.03 1xsc s ARG 9 Ca -0.01 1.12 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 1xsc s ARG 9 Cb -0.14 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 1xsc s ARG 9 CO 0.02 -0.90 0.07 0.00 -0.81 0.00 0.00 175.30 173.68 1xsc s ALA 10 N 3.68 1.82 -0.24 6.12 0.00 0.12 -1.26 121.76 132.00 1xsc s ALA 10 Ca 0.46 -1.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 1xsc s ALA 10 Cb -0.13 0.85 0.10 0.00 0.00 0.00 0.00 23.12 23.93 1xsc s ALA 10 CO 0.15 -0.39 0.55 0.00 0.00 0.00 0.00 175.76 176.08 1xsc s GLY 12 N 2.27 2.52 -0.11 0.00 0.00 -0.76 -0.03 107.32 111.21 1xsc s GLY 12 Ca -0.06 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 1xsc s GLY 12 CO -0.16 -1.99 -0.07 1.08 0.00 0.00 0.00 173.10 171.95 1xsc s LEU 13 N -4.11 1.18 -0.96 0.66 1.43 -1.06 -3.39 118.68 112.43 1xsc s LEU 13 Ca 0.29 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 1xsc s LEU 13 Cb -0.00 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.46 1xsc s LEU 13 CO 0.17 -0.11 1.40 -0.63 0.23 0.00 0.00 176.35 177.41 1xsc s ILE 14 N 1.64 3.94 0.09 -0.59 -1.09 0.47 -4.59 121.20 121.06 1xsc s ILE 14 Ca 0.03 -0.61 -0.25 0.00 -2.23 0.00 0.00 60.65 57.60 1xsc s ILE 14 Cb -0.13 -5.02 -0.06 0.00 -1.58 0.00 0.00 42.46 35.67 1xsc s ILE 14 CO -0.07 -1.90 0.75 -0.63 -1.23 0.00 0.00 174.94 171.87 1xsc s ILE 15 N 4.97 4.61 -0.15 2.92 1.01 -1.26 0.12 121.20 133.42 1xsc s ILE 15 Ca 0.43 1.62 -0.09 0.00 0.00 0.00 0.00 60.65 62.62 1xsc s ILE 15 Cb -0.02 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.40 1xsc s ILE 15 CO -0.06 0.43 0.37 0.72 0.00 0.00 0.00 174.94 176.40 1xsc s PHE 16 N -0.48 -0.51 -0.37 3.97 -0.12 0.49 -2.22 117.98 118.72 1xsc s PHE 16 Ca 0.37 1.13 -0.22 0.00 -0.05 0.00 0.00 56.93 58.16 1xsc s PHE 16 Cb -0.21 0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1xsc s PHE 16 CO 0.24 -0.30 0.74 0.50 -0.05 0.00 0.00 175.22 176.34 1xsc s ARG 17 N 1.23 3.68 -0.05 1.99 3.00 -1.15 -3.37 118.95 124.28 1xsc s ARG 17 Ca -0.08 0.18 -0.18 0.00 -1.00 0.00 0.00 55.73 54.64 1xsc s ARG 17 Cb -0.08 -3.83 -0.05 0.00 0.00 0.00 0.00 34.95 30.99 1xsc s ARG 17 CO -0.10 -0.85 0.49 0.50 0.00 0.00 0.00 175.30 175.34 1xsc s ARG 18 N 2.99 4.22 0.22 5.12 6.06 -1.26 -3.79 118.95 132.51 1xsc s ARG 18 Ca 0.29 0.51 0.04 0.00 -2.50 0.00 0.00 55.73 54.08 1xsc s ARG 18 Cb -0.13 -3.35 -0.03 0.00 0.06 0.00 0.00 34.95 31.50 1xsc s ARG 18 CO 0.17 0.38 0.35 0.00 -2.50 0.00 0.00 175.30 173.69 1xsc n LEU 20 N -1.24 0.00 -4.43 0.00 7.94 -1.26 -4.87 117.00 113.14 1xsc n LEU 20 Ca -0.09 0.34 -0.30 0.00 -1.11 0.00 0.00 56.01 54.86 1xsc n LEU 20 Cb 0.56 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.39 1xsc n LEU 20 CO 0.46 0.00 -0.53 0.27 -1.11 0.00 0.00 177.39 176.48 1xsc s ILE 21 N -0.68 2.53 0.82 1.96 -5.25 -1.26 -5.12 121.20 114.20 1xsc s ILE 21 Ca 0.00 -1.50 -0.11 0.00 -0.99 0.00 0.00 60.65 58.05 1xsc s ILE 21 Cb 0.00 -2.10 0.08 0.00 2.95 0.00 0.00 42.46 43.39 1xsc s ILE 21 CO 0.00 0.19 1.10 -2.84 -1.79 0.00 0.00 174.94 171.60 1xsc s PRO 22 N -1.82 1.87 -0.02 0.37 0.02 -1.26 -5.03 135.00 129.12 1xsc s PRO 22 Ca 0.15 1.12 -0.06 0.00 0.02 0.00 0.00 61.00 62.24 1xsc s PRO 22 Cb -0.10 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1xsc s PRO 22 CO 0.06 -1.90 -0.11 1.63 -0.33 0.00 0.00 177.00 176.35 1xsc n LYS 23 N -3.69 0.17 -0.03 5.54 4.01 -1.26 -4.84 118.16 118.05 1xsc n LYS 23 Ca 0.09 0.07 0.03 0.00 -0.51 0.00 0.00 58.31 57.99 1xsc n LYS 23 Cb 0.53 -0.70 -0.15 0.00 -0.51 0.00 0.00 35.03 34.20 1xsc n LYS 23 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1xsc n VAL 24 N -3.46 0.57 -1.18 -0.18 3.14 -1.26 -5.00 118.33 110.97 1xsc n VAL 24 Ca -0.04 -0.64 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 1xsc n VAL 24 Cb 0.16 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1xsc n ASP 25 N -2.48 -0.77 0.00 6.55 10.43 -1.26 -5.02 116.55 123.99 1xsc n ASP 25 Ca -0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.22 1xsc n ASP 25 Cb 0.79 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 43.48 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 0.94 0.00 -4.92 -2.24 2.85 -1.26 -5.09 115.26 105.54 1xsc n ASN 26 Ca 0.00 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 1xsc n ASN 26 Cb 0.26 -0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 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 -0.05 6.39 0.00 1.20 4.22 -1.26 -4.94 114.94 120.49 1xsc s ASN 27 Ca 0.00 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 1xsc s ASN 27 Cb 0.00 -2.09 0.00 0.00 1.28 0.00 0.00 41.25 40.44 1xsc s ASN 27 CO 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 177.10 174.85 1xsc n ALA 28 N -1.17 0.00 -2.63 3.54 0.00 -1.26 -4.81 120.51 114.18 1xsc n ALA 28 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1xsc n ALA 28 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.83 3.86 0.40 0.00 1.01 -1.26 -4.24 121.20 119.14 1xsc s ILE 29 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.01 1xsc s ILE 29 Cb 0.00 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1xsc s ILE 29 CO 0.00 0.40 0.04 -1.61 0.00 0.00 0.00 174.94 173.77 1xsc s GLU 30 N -1.43 1.90 -0.03 2.79 0.41 -1.25 -4.61 118.70 116.47 1xsc s GLU 30 Ca 0.18 -2.11 0.02 0.00 -0.41 0.00 0.00 54.97 52.65 1xsc s GLU 30 Cb -0.11 -1.22 0.01 0.00 -1.78 0.00 0.00 34.13 31.03 1xsc s GLU 30 CO 0.08 -0.21 -0.07 -0.06 -0.49 0.00 0.00 175.26 174.51 1xsc s PHE 31 N -3.01 0.82 0.15 1.61 0.08 0.16 -2.95 117.98 114.84 1xsc s PHE 31 Ca 0.29 -0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 1xsc s PHE 31 Cb 0.07 -0.63 -0.07 0.00 -0.57 0.00 0.00 43.02 41.82 1xsc s PHE 31 CO 0.14 -0.12 1.11 -1.17 -0.10 0.00 0.00 175.22 175.08 1xsc s LEU 32 N 0.43 4.46 -0.02 -0.37 2.96 -0.94 -2.59 118.68 122.60 1xsc s LEU 32 Ca -0.06 2.06 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 1xsc s LEU 32 Cb -0.10 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1xsc s LEU 32 CO 0.00 -0.27 -0.05 -0.76 -1.32 0.00 0.00 176.35 173.95 1xsc s LEU 33 N -0.07 1.70 -0.39 -0.68 1.43 0.27 -4.53 118.68 116.40 1xsc s LEU 33 Ca 0.51 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1xsc s LEU 33 Cb -0.29 -0.36 0.10 0.00 0.03 0.00 0.00 46.19 45.66 1xsc s LEU 33 CO 0.34 0.02 0.18 -0.76 0.23 0.00 0.00 176.35 176.35 1xsc s LEU 34 N 0.33 5.02 0.27 1.79 1.43 -0.18 -0.12 118.68 127.22 1xsc s LEU 34 Ca -0.04 -1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 50.92 1xsc s LEU 34 Cb -0.08 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 1xsc s LEU 34 CO -0.00 -0.50 1.58 -1.58 0.23 0.00 0.00 176.35 176.08 1xsc s GLN 35 N 1.20 4.15 0.20 1.70 -0.44 0.16 -1.99 119.66 124.64 1xsc s GLN 35 Ca 0.05 2.52 -0.31 0.00 -2.50 0.00 0.00 55.36 55.12 1xsc s GLN 35 Cb -0.22 -3.05 -0.10 0.00 -1.64 0.00 0.00 33.01 27.99 1xsc s GLN 35 CO -0.03 -0.60 1.55 0.00 0.50 0.00 0.00 175.29 176.71 1xsc s ALA 36 N 0.17 3.75 -2.01 1.58 0.00 0.26 -3.19 121.76 122.32 1xsc s ALA 36 Ca 0.64 1.39 0.06 0.00 0.00 0.00 0.00 51.96 54.05 1xsc s ALA 36 Cb -0.47 -3.61 0.19 0.00 0.00 0.00 0.00 23.12 19.23 1xsc s ALA 36 CO 0.45 -0.80 1.15 0.45 0.00 0.00 0.00 175.76 177.01 1xsc n SER 37 N 3.38 0.92 -0.90 0.00 2.88 -1.13 -4.39 113.62 114.38 1xsc n SER 37 Ca 0.12 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1xsc n SER 37 Cb 0.39 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1xsc n SER 37 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xsc n ASP 38 N -0.00 0.00 0.00 -3.46 8.00 -1.26 -4.91 116.55 114.91 1xsc n ASP 38 Ca 0.06 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1xsc n ASP 38 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 3.06 1.31 0.44 0.00 -1.26 -2.34 105.19 106.40 1xsc n GLY 39 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.93 -3.21 -0.61 -5.35 -1.26 -4.95 119.36 104.92 1xsc n ILE 40 Ca 0.00 -0.97 -0.14 0.00 -0.27 0.00 0.00 62.75 61.37 1xsc n ILE 40 Cb 0.00 0.56 0.08 0.00 -1.74 0.00 0.00 39.64 38.54 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 1.60 -1.87 -3.95 4.28 8.25 -0.99 -5.01 115.22 117.53 1xsc n HIS 41 Ca 0.23 0.80 -0.30 0.00 -0.26 0.00 0.00 57.72 58.19 1xsc n HIS 41 Cb 0.62 -4.60 -0.04 0.00 1.12 0.00 0.00 29.99 27.08 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 -3.31 3.44 0.00 4.41 -0.00 -1.26 -4.81 115.29 113.77 1xsc s HIS 42 Ca 0.01 0.20 -0.15 0.00 -0.00 0.00 0.00 55.06 55.12 1xsc s HIS 42 Cb -0.00 -1.72 -0.06 0.00 -0.00 0.00 0.00 32.58 30.80 1xsc s HIS 42 CO 0.62 0.57 0.43 -1.58 -0.00 0.00 0.00 174.74 174.78 1xsc s TRP 43 N -1.51 3.73 -0.24 0.38 0.52 -1.25 0.91 118.94 121.48 1xsc s TRP 43 Ca 0.34 1.02 -0.22 0.00 0.02 0.00 0.00 56.10 57.26 1xsc s TRP 43 Cb -0.13 -2.32 0.06 0.00 -1.15 0.00 0.00 33.47 29.94 1xsc s TRP 43 CO 0.27 0.63 0.64 0.95 0.02 0.00 0.00 176.95 179.45 1xsc s THR 44 N -1.03 -0.00 1.21 2.01 -4.23 -0.84 -4.20 115.64 108.56 1xsc s THR 44 Ca 0.24 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.58 1xsc s THR 44 Cb -0.17 -0.90 0.29 0.00 1.34 0.00 0.00 72.50 73.06 1xsc s THR 44 CO 0.14 0.00 1.06 -2.16 -0.54 0.00 0.00 174.62 173.11 1xsc s PRO 45 N 0.45 -1.30 -0.15 3.99 0.04 -1.26 -1.01 135.00 135.75 1xsc s PRO 45 Ca -0.01 0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.93 1xsc s PRO 45 Cb -0.05 -1.56 -0.07 0.00 0.04 0.00 0.00 34.50 32.86 1xsc s PRO 45 CO -0.01 -3.82 2.15 -2.30 0.04 0.00 0.00 177.00 173.06 1xsc n PRO 46 N -4.88 2.17 -4.69 0.56 -0.02 -1.26 -4.70 135.00 122.17 1xsc n PRO 46 Ca 0.10 0.67 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 1xsc n PRO 46 Cb 0.59 -3.13 -0.12 0.00 -0.02 0.00 0.00 33.50 30.82 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 5.79 2.54 0.28 -0.52 1.02 -1.26 -2.55 119.74 125.05 1xsc s LYS 47 Ca 0.98 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 56.32 1xsc s LYS 47 Cb -0.39 -2.45 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 1xsc s LYS 47 CO 0.38 0.62 0.03 0.20 -0.92 0.00 0.00 175.35 175.66 1xsc s GLY 48 N -0.98 1.83 -0.38 -3.33 0.00 0.95 -4.85 107.32 100.56 1xsc s GLY 48 Ca 0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 44.72 42.91 1xsc s GLY 48 CO 0.03 -1.74 0.16 0.30 0.00 0.00 0.00 173.10 171.84 1xsc s HIS 49 N -3.35 3.54 0.13 1.90 3.76 -1.26 0.83 115.29 120.84 1xsc s HIS 49 Ca 0.33 -2.35 -0.31 0.00 -0.15 0.00 0.00 55.06 52.58 1xsc s HIS 49 Cb 0.07 -3.00 -0.08 0.00 1.11 0.00 0.00 32.58 30.68 1xsc s HIS 49 CO 0.13 -0.94 1.44 0.54 -0.85 0.00 0.00 174.74 175.06 1xsc s VAL 50 N 1.15 3.12 0.64 -0.90 0.11 -0.39 -4.92 120.40 119.20 1xsc s VAL 50 Ca 0.06 0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 59.89 1xsc s VAL 50 Cb -0.22 -3.51 0.07 0.00 -1.53 0.00 0.00 36.38 31.19 1xsc s VAL 50 CO -0.04 0.06 0.90 -1.83 -3.33 0.00 0.00 175.10 170.87 1xsc s GLU 51 N 1.12 2.19 0.07 1.54 -1.05 -1.26 -4.63 118.70 116.68 1xsc s GLU 51 Ca 0.66 -0.72 -0.21 0.00 -0.15 0.00 0.00 54.97 54.55 1xsc s GLU 51 Cb -0.39 -2.35 -0.09 0.00 -0.44 0.00 0.00 34.13 30.86 1xsc s GLU 51 CO 0.30 -1.07 1.34 -1.35 0.95 0.00 0.00 175.26 175.43 1xsc h PRO 52 N -0.29 -0.40 -0.15 -4.83 0.11 -1.99 -1.83 132.00 122.61 1xsc h PRO 52 Ca -0.41 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1xsc h PRO 52 Cb 1.29 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1xsc h PRO 52 CO 0.51 -0.27 0.00 0.41 -0.21 0.00 0.00 178.00 178.44 1xsc n GLY 53 N -1.28 -0.39 3.92 -0.55 0.00 -1.26 -4.87 105.19 100.76 1xsc n GLY 53 Ca -0.05 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.83 3.35 0.55 1.61 2.12 -0.69 -5.09 118.70 118.72 1xsc s GLU 54 Ca 0.08 -0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.32 1xsc s GLU 54 Cb 0.04 -2.43 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 1xsc s GLU 54 CO 0.05 -0.24 0.85 0.34 -0.54 0.00 0.00 175.26 175.72 1xsc s ASP 55 N -4.15 5.86 -0.04 -1.70 2.15 -1.26 -4.72 116.67 112.81 1xsc s ASP 55 Ca 0.47 0.79 -0.06 0.00 0.43 0.00 0.00 52.55 54.18 1xsc s ASP 55 Cb -0.10 -1.91 -0.03 0.00 -0.30 0.00 0.00 42.92 40.57 1xsc s ASP 55 CO 0.42 -0.87 0.34 0.44 -0.17 0.00 0.00 175.17 175.33 1xsc h ASP 56 N -0.01 -0.19 -0.76 -0.34 5.19 -1.98 -3.10 116.42 115.23 1xsc h ASP 56 Ca -0.46 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1xsc h ASP 56 Cb 1.24 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 1xsc h ASP 56 CO 0.61 0.12 0.34 0.25 -3.12 0.00 0.00 179.24 177.44 1xsc h LEU 57 N -0.74 1.02 -0.59 1.55 5.85 -1.96 -2.80 115.31 117.64 1xsc h LEU 57 Ca -0.02 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.67 1xsc h LEU 57 Cb 0.17 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 40.84 1xsc h LEU 57 CO 0.04 0.89 0.03 -0.33 -0.34 0.00 0.00 178.44 178.72 1xsc h GLU 58 N 1.08 0.14 -0.82 1.25 5.08 -1.98 1.03 114.58 120.36 1xsc h GLU 58 Ca 0.26 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.72 1xsc h GLU 58 Cb 0.16 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1xsc h GLU 58 CO -0.03 0.09 0.45 1.15 -1.00 0.00 0.00 179.01 179.67 1xsc h THR 59 N 0.15 0.85 -0.26 1.13 2.02 -1.41 1.00 112.91 116.38 1xsc h THR 59 Ca 0.31 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 1xsc h THR 59 Cb 0.49 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1xsc h THR 59 CO -0.48 0.13 -0.45 0.00 0.37 0.00 0.00 175.52 175.09 1xsc h ALA 60 N 1.48 0.72 0.21 6.16 0.00 -0.48 -0.09 119.26 127.27 1xsc h ALA 60 Ca 0.41 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xsc h ALA 60 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xsc h ALA 60 CO -0.29 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.46 1xsc h LEU 61 N 0.54 -0.24 -0.80 0.00 3.38 0.35 -0.37 115.31 118.16 1xsc h LEU 61 Ca 0.03 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xsc h LEU 61 Cb 0.99 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1xsc h LEU 61 CO 0.09 0.04 0.35 -0.09 0.09 0.00 0.00 178.44 178.92 1xsc h ARG 62 N -0.52 1.18 -0.18 1.13 9.65 0.89 -1.69 114.38 124.84 1xsc h ARG 62 Ca -0.03 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.62 1xsc h ARG 62 Cb 0.39 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1xsc h ARG 62 CO 0.05 0.94 -0.05 0.00 2.80 0.00 0.00 179.97 183.70 1xsc h ALA 63 N 1.18 1.59 -0.04 2.80 0.00 -0.93 0.55 119.26 124.41 1xsc h ALA 63 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xsc h ALA 63 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xsc h ALA 63 CO -0.03 0.30 0.01 1.15 0.00 0.00 0.00 179.25 180.68 1xsc h THR 64 N 0.26 1.21 0.00 0.00 2.02 -0.15 0.25 112.91 116.49 1xsc h THR 64 Ca 0.06 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1xsc h THR 64 Cb 0.26 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1xsc h THR 64 CO 0.01 0.17 -0.24 0.06 0.37 0.00 0.00 175.52 175.89 1xsc h GLN 65 N -0.18 0.00 0.07 6.66 -0.00 0.38 1.04 115.11 123.09 1xsc h GLN 65 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 58.65 58.42 1xsc h GLN 65 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1xsc h GLN 65 CO 0.00 0.24 -1.12 0.93 -0.00 0.00 0.00 178.83 178.88 1xsc h GLU 66 N 0.00 0.20 0.00 0.06 4.39 0.27 0.18 114.58 119.69 1xsc h GLU 66 Ca -0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1xsc h GLU 66 Cb 1.03 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1xsc h GLU 66 CO 0.03 1.13 -1.33 0.39 -1.16 0.00 0.00 179.01 178.07 1xsc n GLU 67 N -3.51 1.08 0.00 2.33 -0.58 0.86 -3.87 120.64 116.95 1xsc n GLU 67 Ca -0.06 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1xsc n GLU 67 Cb 0.97 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 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 -1.78 1.10 -0.39 0.62 0.00 0.35 -3.44 120.51 116.97 1xsc n ALA 68 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xsc n ALA 68 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 0.35 1.61 3.65 0.00 0.00 0.63 -0.19 105.19 111.24 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 -2.86 5.32 0.42 -0.61 1.01 -1.18 -4.70 121.20 118.60 1xsc s ILE 70 Ca 0.00 0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.00 1xsc s ILE 70 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1xsc s ILE 70 CO 0.00 0.31 0.29 -1.83 0.00 0.00 0.00 174.94 173.71 1xsc s GLU 71 N 1.23 2.37 0.49 2.79 -1.05 -1.26 0.29 118.70 123.56 1xsc s GLU 71 Ca 0.09 -1.72 0.33 0.00 -0.15 0.00 0.00 54.97 53.53 1xsc s GLU 71 Cb -0.14 -2.17 1.45 0.00 -0.44 0.00 0.00 34.13 32.82 1xsc s GLU 71 CO 0.06 -0.19 1.74 0.00 0.95 0.00 0.00 175.26 177.82 1xsc h ALA 72 N 1.19 2.94 0.00 -0.84 0.00 -1.88 1.16 119.26 121.82 1xsc h ALA 72 Ca -0.42 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xsc h ALA 72 Cb 1.26 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1xsc h ALA 72 CO 0.63 -1.36 -0.33 0.78 0.00 0.00 0.00 179.25 178.96 1xsc h GLY 73 N 0.11 0.00 -1.24 0.00 0.00 -1.98 -2.69 103.07 97.27 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 -0.14 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.34 1xsc n GLN 74 N -3.53 2.00 -2.84 4.80 1.13 0.39 -4.93 117.38 114.41 1xsc n GLN 74 Ca -0.00 -1.47 -0.08 0.00 -1.94 0.00 0.00 57.00 53.51 1xsc n GLN 74 Cb 0.48 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 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 0.75 0.00 -3.62 1.08 -0.00 -0.80 0.12 117.00 114.53 1xsc n LEU 75 Ca 0.17 -1.26 -0.29 0.00 -0.00 0.00 0.00 56.01 54.63 1xsc n LEU 75 Cb 0.46 0.73 -0.15 0.00 -0.00 0.00 0.00 43.42 44.47 1xsc n LEU 75 CO 0.15 -0.22 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.11 1xsc s THR 76 N -2.55 0.45 -0.39 1.47 2.01 0.16 -4.76 115.64 112.03 1xsc s THR 76 Ca 0.15 -1.26 -0.28 0.00 0.31 0.00 0.00 61.69 60.61 1xsc s THR 76 Cb 0.01 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1xsc s THR 76 CO 0.11 -0.75 1.79 -0.63 -0.69 0.00 0.00 174.62 174.45 1xsc s ILE 77 N 1.66 3.47 0.16 1.82 -1.09 -1.25 -0.93 121.20 125.04 1xsc s ILE 77 Ca 0.11 0.45 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 1xsc s ILE 77 Cb -0.18 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1xsc s ILE 77 CO -0.25 -0.53 1.29 -0.63 -1.23 0.00 0.00 174.94 173.59 1xsc s ILE 78 N 7.32 3.39 0.24 2.92 1.09 0.47 -4.95 121.20 131.68 1xsc s ILE 78 Ca 0.76 1.09 -0.09 0.00 -1.10 0.00 0.00 60.65 61.32 1xsc s ILE 78 Cb -0.20 -3.70 -0.07 0.00 -1.06 0.00 0.00 42.46 37.43 1xsc s ILE 78 CO 0.31 0.14 0.56 -1.61 -0.10 0.00 0.00 174.94 174.23 1xsc s GLU 79 N 0.25 3.77 0.00 2.79 2.02 -1.26 -4.24 118.70 122.04 1xsc s GLU 79 Ca 0.58 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.80 1xsc s GLU 79 Cb -0.35 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1xsc s GLU 79 CO 0.35 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.33 1xsc n GLY 80 N -0.30 2.59 3.53 -1.39 0.00 -1.26 -5.05 105.19 103.32 1xsc n GLY 80 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.52 3.17 -0.16 1.61 2.19 -1.26 -5.06 117.98 115.95 1xsc s PHE 81 Ca 0.00 -0.10 -0.07 0.00 0.33 0.00 0.00 56.93 57.09 1xsc s PHE 81 Cb 0.00 -2.32 0.07 0.00 -1.31 0.00 0.00 43.02 39.45 1xsc s PHE 81 CO 0.00 -0.24 0.35 0.21 1.83 0.00 0.00 175.22 177.37 1xsc s LYS 82 N 1.70 0.28 -0.12 10.12 2.20 -1.26 -4.60 119.74 128.06 1xsc s LYS 82 Ca 0.07 0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 56.38 1xsc s LYS 82 Cb -0.16 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.26 1xsc s LYS 82 CO 0.08 -0.22 0.32 1.03 -0.36 0.00 0.00 175.35 176.20 1xsc s ARG 83 N 1.97 0.35 -0.18 4.03 1.81 -1.25 -5.00 118.95 120.68 1xsc s ARG 83 Ca -0.05 0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 1xsc s ARG 83 Cb -0.11 0.13 0.01 0.00 -0.45 0.00 0.00 34.95 34.54 1xsc s ARG 83 CO -0.11 -0.07 -0.17 -1.83 -0.68 0.00 0.00 175.30 172.44 1xsc s GLU 84 N 0.38 3.08 -0.18 3.54 1.03 -1.25 0.84 118.70 126.15 1xsc s GLU 84 Ca -0.02 -0.79 -0.25 0.00 0.03 0.00 0.00 54.97 53.95 1xsc s GLU 84 Cb -0.04 -2.64 -0.02 0.00 -0.80 0.00 0.00 34.13 30.64 1xsc s GLU 84 CO -0.02 -0.17 0.80 -0.51 -1.33 0.00 0.00 175.26 174.04 1xsc s LEU 85 N 1.23 4.17 -0.20 1.83 1.43 0.21 -4.71 118.68 122.63 1xsc s LEU 85 Ca 0.03 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 1xsc s LEU 85 Cb -0.14 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1xsc s LEU 85 CO -0.09 -0.39 -0.11 0.20 0.23 0.00 0.00 176.35 176.19 1xsc s ASN 86 N 1.17 3.79 -0.26 2.29 0.01 -1.24 -0.08 114.94 120.61 1xsc s ASN 86 Ca 0.37 -0.50 -0.26 0.00 -0.71 0.00 0.00 52.86 51.76 1xsc s ASN 86 Cb -0.16 -1.62 0.12 0.00 0.41 0.00 0.00 41.25 39.99 1xsc s ASN 86 CO 0.12 -0.01 1.00 -0.72 -1.51 0.00 0.00 177.10 175.98 1xsc s TYR 87 N 1.37 -0.49 -0.49 2.20 1.13 -1.07 -4.92 117.35 115.08 1xsc s TYR 87 Ca 0.05 1.16 -0.28 0.00 -1.41 0.00 0.00 57.07 56.59 1xsc s TYR 87 Cb -0.14 0.36 0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1xsc s TYR 87 CO -0.07 -0.26 1.09 0.54 -2.51 0.00 0.00 175.55 174.34 1xsc s VAL 88 N 0.08 4.25 0.00 -3.49 0.11 -1.26 -0.43 120.40 119.66 1xsc s VAL 88 Ca 0.02 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.11 1xsc s VAL 88 Cb -0.04 -4.58 0.00 0.00 -1.53 0.00 0.00 36.38 30.23 1xsc s VAL 88 CO -0.05 -1.01 0.00 0.00 -3.33 0.00 0.00 175.10 170.71 1xsc n ALA 89 N 7.73 0.00 -0.25 1.54 0.00 -0.98 -4.67 120.51 123.88 1xsc n ALA 89 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1xsc n ALA 89 Cb 0.49 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 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 1.08 0.00 0.00 0.11 -2.03 -3.42 114.38 110.12 1xsc h ARG 90 Ca 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1xsc h ARG 90 Cb 0.00 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 30.88 1xsc h ARG 90 CO 0.00 0.82 0.00 -1.71 0.10 0.00 0.00 179.97 179.18 1xsc n ASN 91 N -4.33 0.00 -3.66 0.08 2.85 -1.26 -5.15 115.26 103.79 1xsc n ASN 91 Ca 0.07 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.46 1xsc n ASN 91 Cb 0.13 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.06 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 0.60 -0.03 1.20 2.47 -1.26 -5.09 119.74 117.63 1xsc s LYS 92 Ca 0.00 1.07 -0.30 0.00 -1.56 0.00 0.00 55.97 55.18 1xsc s LYS 92 Cb 0.00 0.09 -0.06 0.00 -1.46 0.00 0.00 37.83 36.39 1xsc s LYS 92 CO 0.00 -0.15 1.72 -1.25 0.16 0.00 0.00 175.35 175.83 1xsc s PRO 93 N 1.54 4.17 -0.20 4.03 0.04 -1.26 -2.33 135.00 140.99 1xsc s PRO 93 Ca -0.10 2.28 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 1xsc s PRO 93 Cb -0.06 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1xsc s PRO 93 CO -0.17 -0.87 0.08 0.21 0.04 0.00 0.00 177.00 176.29 1xsc s LYS 94 N 4.10 3.92 -0.47 4.56 2.20 0.42 0.71 119.74 135.17 1xsc s LYS 94 Ca 0.77 -0.36 -0.15 0.00 -0.36 0.00 0.00 55.97 55.86 1xsc s LYS 94 Cb -0.35 -3.28 0.07 0.00 -1.51 0.00 0.00 37.83 32.76 1xsc s LYS 94 CO 0.32 0.15 0.39 0.99 -0.36 0.00 0.00 175.35 176.85 1xsc s THR 95 N 0.72 5.22 -0.40 3.43 2.01 0.03 -2.59 115.64 124.06 1xsc s THR 95 Ca 0.04 -1.07 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 1xsc s THR 95 Cb -0.13 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1xsc s THR 95 CO 0.02 -0.58 0.23 -0.69 -0.69 0.00 0.00 174.62 172.91 1xsc s VAL 96 N 1.64 4.41 -0.43 3.82 1.01 0.88 0.11 120.40 131.84 1xsc s VAL 96 Ca 0.04 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1xsc s VAL 96 Cb -0.24 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1xsc s VAL 96 CO 0.07 -0.36 0.84 -0.63 0.00 0.00 0.00 175.10 175.01 1xsc s ILE 97 N 1.50 4.61 0.52 2.22 -1.09 -1.01 0.64 121.20 128.59 1xsc s ILE 97 Ca 0.02 0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 1xsc s ILE 97 Cb -0.21 -4.33 0.01 0.00 -1.58 0.00 0.00 42.46 36.35 1xsc s ILE 97 CO 0.05 -0.67 0.77 -0.31 -1.23 0.00 0.00 174.94 173.55 1xsc s TYR 98 N 3.41 3.13 -0.24 3.97 2.02 0.25 -1.83 117.35 128.06 1xsc s TYR 98 Ca 0.33 0.29 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 1xsc s TYR 98 Cb -0.12 -2.56 0.07 0.00 -0.40 0.00 0.00 41.96 38.95 1xsc s TYR 98 CO 0.22 -0.65 0.60 -1.58 -1.57 0.00 0.00 175.55 172.58 1xsc s TRP 99 N -2.75 -0.81 0.13 2.71 0.51 -1.22 -3.81 118.94 113.70 1xsc s TRP 99 Ca 0.52 1.76 -0.30 0.00 -2.12 0.00 0.00 56.10 55.96 1xsc s TRP 99 Cb -0.10 0.39 -0.07 0.00 -0.81 0.00 0.00 33.47 32.88 1xsc s TRP 99 CO 0.40 -0.41 1.20 -0.51 -0.51 0.00 0.00 176.95 177.12 1xsc s LEU 100 N 1.05 4.42 -0.00 2.99 1.43 -1.25 0.18 118.68 127.49 1xsc s LEU 100 Ca -0.06 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1xsc s LEU 100 Cb -0.05 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1xsc s LEU 100 CO -0.10 -0.41 -0.00 0.00 0.23 0.00 0.00 176.35 176.06 1xsc s ALA 101 N 0.47 0.06 -0.35 4.21 0.00 0.32 0.18 121.76 126.65 1xsc s ALA 101 Ca 0.56 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1xsc s ALA 101 Cb -0.31 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1xsc s ALA 101 CO 0.33 -0.00 0.13 -2.00 0.00 0.00 0.00 175.76 174.21 1xsc s GLU 102 N 0.13 2.63 0.51 0.00 2.12 -0.11 0.18 118.70 124.17 1xsc s GLU 102 Ca -0.01 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 53.92 1xsc s GLU 102 Cb -0.02 -3.51 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1xsc s GLU 102 CO -0.00 -0.69 1.08 0.14 -0.54 0.00 0.00 175.26 175.24 1xsc s VAL 103 N 1.42 3.49 -1.18 3.70 -7.23 -1.22 0.37 120.40 119.75 1xsc s VAL 103 Ca -0.01 0.94 0.16 0.00 -1.81 0.00 0.00 61.98 61.26 1xsc s VAL 103 Cb -0.20 -3.38 0.20 0.00 0.56 0.00 0.00 36.38 33.56 1xsc s VAL 103 CO 0.03 -0.19 1.51 0.29 -0.31 0.00 0.00 175.10 176.43 1xsc n LYS 104 N -1.09 0.10 -3.60 4.82 4.01 0.12 -4.59 118.16 117.93 1xsc n LYS 104 Ca 0.10 0.18 -0.11 0.00 -0.51 0.00 0.00 58.31 57.97 1xsc n LYS 104 Cb 0.52 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 33.43 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 -2.82 0.17 0.32 4.39 -1.08 -1.26 -4.99 116.67 111.39 1xsc s ASP 105 Ca 0.11 0.64 0.09 0.00 -0.52 0.00 0.00 52.55 52.87 1xsc s ASP 105 Cb 0.11 0.99 0.84 0.00 -1.46 0.00 0.00 42.92 43.40 1xsc s ASP 105 CO 0.28 -0.25 1.75 0.10 0.52 0.00 0.00 175.17 177.57 1xsc h TYR 106 N 8.23 1.01 -0.73 -5.34 -0.00 -1.97 1.19 116.97 119.37 1xsc h TYR 106 Ca -0.16 0.03 -0.24 0.00 -0.00 0.00 0.00 58.73 58.37 1xsc h TYR 106 Cb 1.12 -0.30 -0.14 0.00 -0.00 0.00 0.00 36.73 37.41 1xsc h TYR 106 CO 0.29 0.14 0.29 -3.47 -0.00 0.00 0.00 178.16 175.40 1xsc n ASP 107 N -4.82 4.56 -4.20 0.10 4.64 -1.26 -5.02 116.55 110.56 1xsc n ASP 107 Ca 0.25 -3.29 -0.36 0.00 -1.38 0.00 0.00 54.79 50.01 1xsc n ASP 107 Cb 0.68 -0.74 0.05 0.00 -1.04 0.00 0.00 41.12 40.07 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1xsc n VAL 108 N -0.34 0.31 -1.82 5.18 3.14 0.41 -4.81 118.33 120.39 1xsc n VAL 108 Ca 0.42 -0.43 -0.41 0.00 -2.96 0.00 0.00 64.34 60.96 1xsc n VAL 108 Cb 1.38 -0.23 -0.00 0.00 -1.06 0.00 0.00 33.84 33.93 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 -2.19 4.13 -0.34 1.45 1.03 -1.26 -4.98 118.70 116.53 1xsc s GLU 109 Ca 0.51 2.55 0.03 0.00 0.03 0.00 0.00 54.97 58.09 1xsc s GLU 109 Cb -0.28 -2.98 0.10 0.00 -0.80 0.00 0.00 34.13 30.17 1xsc s GLU 109 CO 0.73 -0.52 0.07 0.42 -1.33 0.00 0.00 175.26 174.63 1xsc s ILE 110 N -1.05 2.04 -0.61 1.83 -1.09 -1.24 -4.29 121.20 116.79 1xsc s ILE 110 Ca 0.53 -2.23 -0.13 0.00 -2.23 0.00 0.00 60.65 56.60 1xsc s ILE 110 Cb -0.46 -2.51 0.15 0.00 -1.58 0.00 0.00 42.46 38.06 1xsc s ILE 110 CO 0.62 -0.62 0.53 -0.13 -1.23 0.00 0.00 174.94 174.10 1xsc s ARG 111 N 0.97 2.99 0.29 2.79 0.52 0.73 -4.86 118.95 122.39 1xsc s ARG 111 Ca 0.11 -1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 53.19 1xsc s ARG 111 Cb -0.19 -4.20 -0.09 0.00 0.52 0.00 0.00 34.95 31.00 1xsc s ARG 111 CO -0.11 -1.27 0.69 -0.51 0.02 0.00 0.00 175.30 174.13 1xsc s LEU 112 N 1.03 4.11 0.00 2.53 1.43 -1.22 -2.34 118.68 124.20 1xsc s LEU 112 Ca 0.09 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1xsc s LEU 112 Cb -0.23 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1xsc s LEU 112 CO -0.02 -0.16 0.02 -1.20 0.23 0.00 0.00 176.35 175.22 1xsc n SER 113 N -0.23 0.01 0.00 2.29 7.64 -1.25 -4.91 113.62 117.17 1xsc n SER 113 Ca 0.02 -1.01 0.09 0.00 1.01 0.00 0.00 58.87 58.98 1xsc n SER 113 Cb 0.53 -0.01 0.44 0.00 -1.01 0.00 0.00 64.21 64.16 1xsc n SER 113 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xsc n HIS 114 N -1.58 0.00 0.02 1.43 8.25 -1.26 -2.38 115.22 119.71 1xsc n HIS 114 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1xsc n HIS 114 Cb 0.01 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.28 0.63 -4.10 -0.41 4.07 -1.26 -4.92 120.64 113.37 1xsc n GLU 115 Ca 0.08 0.11 -0.27 0.00 -0.06 0.00 0.00 57.16 57.02 1xsc n GLU 115 Cb 0.14 -1.73 -0.06 0.00 -0.06 0.00 0.00 31.44 29.73 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 -3.05 3.10 0.00 4.31 3.76 -1.00 -2.86 115.29 119.56 1xsc s HIS 116 Ca -0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1xsc s HIS 116 Cb 0.09 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 32.28 1xsc s HIS 116 CO 0.83 0.52 0.00 0.00 -0.85 0.00 0.00 174.74 175.23 1xsc n GLN 117 N -0.20 1.28 -3.83 1.40 10.64 -1.19 -4.58 117.38 120.90 1xsc n GLN 117 Ca -0.09 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.02 1xsc n GLN 117 Cb 0.54 -0.91 -0.01 0.00 -0.86 0.00 0.00 30.24 29.01 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 -1.64 -1.26 0.34 2.61 0.00 -1.24 -5.04 121.76 115.53 1xsc s ALA 118 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1xsc s ALA 118 Cb 0.00 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1xsc s ALA 118 CO 0.00 -1.03 0.50 1.52 0.00 0.00 0.00 175.76 176.75 1xsc s TYR 119 N -3.43 0.92 0.05 0.00 1.13 -1.26 0.36 117.35 115.11 1xsc s TYR 119 Ca 0.13 -1.20 -0.27 0.00 -1.41 0.00 0.00 57.07 54.31 1xsc s TYR 119 Cb -0.05 0.02 0.09 0.00 -1.10 0.00 0.00 41.96 40.93 1xsc s TYR 119 CO 0.07 -1.16 0.89 1.03 -2.51 0.00 0.00 175.55 173.86 1xsc s ARG 120 N -3.06 0.96 -0.27 -3.49 0.52 0.83 -4.87 118.95 109.56 1xsc s ARG 120 Ca 0.28 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 1xsc s ARG 120 Cb -0.01 0.40 0.07 0.00 0.52 0.00 0.00 34.95 35.93 1xsc s ARG 120 CO 0.18 -0.43 -0.02 -1.58 0.02 0.00 0.00 175.30 173.48 1xsc s TRP 121 N -3.21 2.60 0.26 -0.53 0.52 -1.26 -0.56 118.94 116.77 1xsc s TRP 121 Ca 0.07 -2.02 0.01 0.00 0.02 0.00 0.00 56.10 54.19 1xsc s TRP 121 Cb -0.01 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 1xsc s TRP 121 CO -0.06 -0.83 0.10 -0.51 0.02 0.00 0.00 176.95 175.68 1xsc s LEU 122 N 1.32 1.61 0.00 2.99 1.02 -1.07 -4.83 118.68 119.72 1xsc s LEU 122 Ca -0.01 -1.40 0.00 0.00 0.02 0.00 0.00 54.13 52.74 1xsc s LEU 122 Cb -0.19 0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.08 1xsc s LEU 122 CO -0.09 -0.75 0.00 0.61 0.02 0.00 0.00 176.35 176.14 1xsc n GLY 123 N -0.47 -0.06 0.14 -3.19 0.00 -1.26 0.35 105.19 100.70 1xsc n GLY 123 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 0.63 -0.03 0.99 5.85 -1.91 -1.89 115.31 118.94 1xsc h LEU 124 Ca 0.00 -0.84 -0.00 0.00 0.84 0.00 0.00 57.88 57.88 1xsc h LEU 124 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1xsc h LEU 124 CO 0.00 1.40 0.02 1.05 -0.34 0.00 0.00 178.44 180.57 1xsc h GLU 125 N -0.06 0.04 0.12 1.25 4.11 -1.98 0.49 114.58 118.56 1xsc h GLU 125 Ca -0.13 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1xsc h GLU 125 Cb 1.61 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1xsc h GLU 125 CO 0.17 0.06 -0.06 0.93 0.07 0.00 0.00 179.01 180.18 1xsc h GLU 126 N 0.01 -0.16 -0.77 1.06 3.07 -1.93 0.30 114.58 116.17 1xsc h GLU 126 Ca 0.01 0.01 0.22 0.00 -0.50 0.00 0.00 59.36 59.10 1xsc h GLU 126 Cb 0.03 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1xsc h GLU 126 CO -0.00 0.26 0.64 0.00 -1.40 0.00 0.00 179.01 178.51 1xsc h ALA 127 N 0.12 2.63 0.18 3.43 0.00 -1.33 0.75 119.26 125.04 1xsc h ALA 127 Ca -0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1xsc h ALA 127 Cb 0.50 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xsc h ALA 127 CO 0.03 -1.04 -1.57 0.00 0.00 0.00 0.00 179.25 176.67 1xsc h GLN 129 N 0.11 0.28 0.08 0.00 -0.00 0.43 -2.93 115.11 113.07 1xsc h GLN 129 Ca -0.27 -0.02 -0.28 0.00 -0.00 0.00 0.00 58.65 58.08 1xsc h GLN 129 Cb 2.09 -0.06 0.03 0.00 -0.00 0.00 0.00 27.48 29.53 1xsc h GLN 129 CO 0.21 0.18 -1.14 -0.07 -0.00 0.00 0.00 178.83 178.01 1xsc h LEU 130 N 0.29 0.87 -4.62 0.06 3.38 -1.26 -3.32 115.31 110.69 1xsc h LEU 130 Ca 0.12 -0.80 -0.34 0.00 0.09 0.00 0.00 57.88 56.95 1xsc h LEU 130 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xsc h LEU 130 CO -0.10 1.57 1.44 0.00 0.09 0.00 0.00 178.44 181.44 1xsc n ALA 131 N -2.67 5.97 -0.47 1.53 0.00 -0.78 -3.75 120.51 120.35 1xsc n ALA 131 Ca -0.13 -2.19 0.40 0.00 0.00 0.00 0.00 53.44 51.52 1xsc n ALA 131 Cb 0.94 -2.74 0.66 0.00 0.00 0.00 0.00 19.45 18.31 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 3.15 -0.03 -1.67 0.00 10.64 -1.22 -4.02 117.38 124.22 1xsc n GLN 132 Ca 0.50 1.22 -0.44 0.00 -1.83 0.00 0.00 57.00 56.45 1xsc n GLN 132 Cb 0.50 -2.41 -0.04 0.00 -0.86 0.00 0.00 30.24 27.43 1xsc n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsc n PHE 133 N -4.65 2.47 -0.24 2.61 3.01 -1.26 -4.86 117.46 114.53 1xsc n PHE 133 Ca 0.39 -0.25 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1xsc n PHE 133 Cb 1.54 -2.76 0.13 0.00 -0.01 0.00 0.00 39.48 38.38 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 9.97 0.07 -0.25 -1.08 3.64 -1.98 -1.14 116.57 125.80 1xsc h LYS 134 Ca -0.49 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1xsc h LYS 134 Cb 1.25 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 1xsc h LYS 134 CO 0.94 0.05 -0.25 0.93 -2.27 0.00 0.00 179.45 178.85 1xsc h GLU 135 N 0.08 -0.25 -0.97 1.90 3.07 -1.90 -1.26 114.58 115.25 1xsc h GLU 135 Ca 0.38 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.29 1xsc h GLU 135 Cb 0.64 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.55 1xsc h GLU 135 CO -0.66 -0.17 0.63 0.52 -1.40 0.00 0.00 179.01 177.94 1xsc h MET 136 N -0.26 1.18 -0.58 2.33 2.86 -1.51 0.87 114.93 119.82 1xsc h MET 136 Ca 0.14 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1xsc h MET 136 Cb 0.47 -0.27 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1xsc h MET 136 CO -0.40 0.78 0.31 0.87 1.06 0.00 0.00 176.91 179.53 1xsc h LYS 137 N 1.21 0.57 -0.21 1.72 6.56 -0.52 0.66 116.57 126.57 1xsc h LYS 137 Ca 0.39 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.91 1xsc h LYS 137 Cb 0.02 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1xsc h LYS 137 CO -0.12 0.38 -0.01 0.00 -2.06 0.00 0.00 179.45 177.63 1xsc h ALA 138 N 1.31 0.28 -0.71 3.86 0.00 -0.30 1.15 119.26 124.85 1xsc h ALA 138 Ca 0.26 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1xsc h ALA 138 Cb 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1xsc h ALA 138 CO -0.17 0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.38 1xsc h ALA 139 N 0.78 0.98 0.00 0.00 0.00 -0.29 0.59 119.26 121.31 1xsc h ALA 139 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1xsc h ALA 139 Cb 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xsc h ALA 139 CO 0.01 -0.18 -0.74 -0.07 0.00 0.00 0.00 179.25 178.28 1xsc h LEU 140 N 0.46 0.00 0.10 0.00 3.38 -0.72 -2.21 115.31 116.32 1xsc h LEU 140 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1xsc h LEU 140 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xsc h LEU 140 CO -0.36 0.67 -0.05 1.56 0.09 0.00 0.00 178.44 180.35 1xsc h GLN 141 N 0.00 -0.13 -0.01 1.13 1.08 0.37 -3.00 115.11 114.54 1xsc h GLN 141 Ca -0.02 0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 1xsc h GLN 141 Cb 1.53 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.97 1xsc h GLN 141 CO 0.08 0.27 -0.76 0.93 -0.95 0.00 0.00 178.83 178.41 1xsc h GLU 142 N -0.58 0.12 -0.44 1.46 4.39 -0.07 -2.73 114.58 116.74 1xsc h GLU 142 Ca -0.01 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.65 1xsc h GLU 142 Cb 0.47 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.08 1xsc h GLU 142 CO 0.02 0.82 0.04 0.78 -1.16 0.00 0.00 179.01 179.51 1xsc h GLY 143 N 1.91 0.48 1.82 -3.84 0.00 -1.42 0.33 103.07 102.34 1xsc h GLY 143 Ca -0.02 0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1xsc h GLY 143 CO 0.11 -0.09 -0.79 0.84 0.00 0.00 0.00 176.54 176.61 1xsc h HIS 144 N 0.16 0.24 0.19 5.60 -0.00 -1.56 -3.06 115.15 116.71 1xsc h HIS 144 Ca 0.22 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1xsc h HIS 144 Cb 0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 1xsc h HIS 144 CO -0.25 0.89 -0.09 0.37 -0.00 0.00 0.00 177.93 178.85 1xsc h GLN 145 N 0.10 -0.24 0.28 5.26 5.75 -0.97 -1.60 115.11 123.69 1xsc h GLN 145 Ca -0.03 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1xsc h GLN 145 Cb 1.38 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 1xsc h GLN 145 CO 0.12 0.02 -0.22 0.35 -2.65 0.00 0.00 178.83 176.45 1xsc h PHE 146 N -0.49 -0.59 -0.37 3.99 3.04 -0.48 -2.50 116.94 119.54 1xsc h PHE 146 Ca -0.03 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.98 1xsc h PHE 146 Cb 0.38 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1xsc h PHE 146 CO 0.01 -0.34 0.25 -0.07 -2.02 0.00 0.00 178.31 176.14 1xsc h LEU 147 N -0.51 0.23 -1.51 0.59 3.38 -1.59 0.62 115.31 116.52 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 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xsc h LEU 147 CO -0.01 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1xsc n SER 149 N -2.45 0.43 0.00 0.00 7.64 0.20 -4.90 113.62 114.54 1xsc n SER 149 Ca -0.01 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1xsc n SER 149 Cb 0.11 1.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsc n ILE 150 N -2.40 0.00 0.09 0.44 5.41 -0.47 -5.09 119.36 117.35 1xsc n ILE 150 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1xsc n ILE 150 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 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 0.02 0.38 2.13 -1.26 -5.08 120.64 116.82 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 -2.81 2.20 1.62 4.31 0.00 -1.26 -5.12 120.51 119.45 1xsc n ALA 152 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xsc n ALA 152 Cb 0.00 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.08 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78