#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsc n PRO 2 N 0.00 0.62 -1.69 1.61 -0.04 -1.26 -4.87 135.00 129.37 1xsc n PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1xsc n PRO 2 Cb 0.00 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1xsc n PRO 2 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xsc n LEU 3 N 0.66 4.08 0.00 1.53 -0.00 -1.26 -4.86 117.00 117.15 1xsc n LEU 3 Ca 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 57.00 1xsc n LEU 3 Cb 0.30 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.17 1xsc n LEU 3 CO 0.00 0.19 0.00 0.61 -0.00 0.00 0.00 177.39 178.19 1xsc n GLY 4 N 4.23 3.02 3.71 -3.96 0.00 -1.26 -5.12 105.19 105.81 1xsc n GLY 4 Ca 0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsc n SER 5 N 0.00 3.95 -4.55 1.61 3.41 -1.26 -4.85 113.62 111.92 1xsc n SER 5 Ca 0.00 1.05 -0.37 0.00 -0.26 0.00 0.00 58.87 59.29 1xsc n SER 5 Cb 0.00 -1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 62.36 1xsc n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsc s MET 6 N 1.42 2.29 0.28 4.33 0.23 -1.26 -4.71 119.30 121.87 1xsc s MET 6 Ca 0.77 1.28 0.00 0.00 -1.03 0.00 0.00 55.69 56.70 1xsc s MET 6 Cb -0.51 -4.52 0.00 0.00 -1.53 0.00 0.00 34.83 28.26 1xsc s MET 6 CO 0.33 -3.07 0.00 0.00 -2.03 0.00 0.00 175.02 170.25 1xsc n ALA 7 N 14.91 -3.14 -2.37 3.16 0.00 -1.26 -4.86 120.51 126.95 1xsc n ALA 7 Ca 0.33 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.84 1xsc n ALA 7 Cb 0.54 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 -5.39 2.30 0.02 0.00 1.02 0.31 -4.93 118.68 112.00 1xsc s LEU 8 Ca 0.00 -0.38 -0.25 0.00 0.02 0.00 0.00 54.13 53.52 1xsc s LEU 8 Cb 0.00 -1.42 -0.05 0.00 0.02 0.00 0.00 46.19 44.75 1xsc s LEU 8 CO 0.00 0.32 0.78 -0.13 0.02 0.00 0.00 176.35 177.34 1xsc s ARG 9 N -0.70 4.49 0.19 1.70 0.52 -1.26 0.06 118.95 123.96 1xsc s ARG 9 Ca 0.11 1.07 -0.12 0.00 -0.52 0.00 0.00 55.73 56.27 1xsc s ARG 9 Cb -0.10 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 31.98 1xsc s ARG 9 CO -0.00 0.20 0.39 0.00 0.02 0.00 0.00 175.30 175.91 1xsc s ALA 10 N 0.24 -0.29 -0.23 2.13 0.00 0.11 -3.27 121.76 120.45 1xsc s ALA 10 Ca 0.40 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 1xsc s ALA 10 Cb -0.20 0.92 0.09 0.00 0.00 0.00 0.00 23.12 23.93 1xsc s ALA 10 CO 0.23 -0.74 0.52 0.00 0.00 0.00 0.00 175.76 175.77 1xsc s GLY 12 N 2.17 2.36 -0.15 0.00 0.00 0.20 0.99 107.32 112.88 1xsc s GLY 12 Ca -0.06 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 1xsc s GLY 12 CO -0.16 -1.90 -0.09 -2.27 0.00 0.00 0.00 173.10 168.68 1xsc s LEU 13 N -4.03 1.62 -0.94 0.66 0.20 -1.16 -3.50 118.68 111.54 1xsc s LEU 13 Ca 0.38 -0.55 -0.22 0.00 0.69 0.00 0.00 54.13 54.43 1xsc s LEU 13 Cb 0.01 -1.02 0.08 0.00 -0.43 0.00 0.00 46.19 44.83 1xsc s LEU 13 CO 0.22 -0.12 1.28 -0.63 -0.29 0.00 0.00 176.35 176.81 1xsc s ILE 14 N 1.57 4.23 0.30 6.68 1.01 0.34 -4.50 121.20 130.83 1xsc s ILE 14 Ca 0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 1xsc s ILE 14 Cb -0.14 -4.92 -0.09 0.00 0.01 0.00 0.00 42.46 37.32 1xsc s ILE 14 CO -0.09 -1.74 0.83 -0.63 0.00 0.00 0.00 174.94 173.31 1xsc s ILE 15 N 4.14 4.45 -0.19 2.92 1.01 -1.26 0.71 121.20 132.99 1xsc s ILE 15 Ca 0.39 1.43 -0.08 0.00 0.00 0.00 0.00 60.65 62.39 1xsc s ILE 15 Cb -0.04 -3.83 0.08 0.00 0.01 0.00 0.00 42.46 38.69 1xsc s ILE 15 CO -0.06 0.04 0.41 0.72 0.00 0.00 0.00 174.94 176.05 1xsc s PHE 16 N -1.73 -0.73 -0.44 3.97 -0.12 0.89 -1.25 117.98 118.58 1xsc s PHE 16 Ca 0.50 1.44 -0.28 0.00 -0.05 0.00 0.00 56.93 58.53 1xsc s PHE 16 Cb -0.15 0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1xsc s PHE 16 CO 0.20 -0.44 1.09 1.03 -0.05 0.00 0.00 175.22 177.05 1xsc s ARG 17 N 2.25 3.78 -0.49 1.99 0.52 0.28 -3.84 118.95 123.45 1xsc s ARG 17 Ca -0.04 0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 55.55 1xsc s ARG 17 Cb -0.11 -3.87 0.03 0.00 0.52 0.00 0.00 34.95 31.52 1xsc s ARG 17 CO -0.13 -1.24 0.88 0.50 0.02 0.00 0.00 175.30 175.34 1xsc s ARG 18 N 4.15 3.42 0.09 3.54 3.52 -1.26 -2.33 118.95 130.09 1xsc s ARG 18 Ca 0.46 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 1xsc s ARG 18 Cb -0.09 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 1xsc s ARG 18 CO 0.27 -1.28 0.24 0.00 -0.81 0.00 0.00 175.30 173.72 1xsc h LEU 20 N 2.77 0.40 -7.00 0.00 -0.00 -1.96 -3.45 115.31 106.06 1xsc h LEU 20 Ca -0.46 0.02 0.19 0.00 -0.00 0.00 0.00 57.88 57.64 1xsc h LEU 20 Cb 1.17 -0.05 -0.22 0.00 -0.00 0.00 0.00 40.66 41.56 1xsc h LEU 20 CO 0.74 0.27 0.75 0.27 -0.00 0.00 0.00 178.44 180.47 1xsc s ILE 21 N -6.13 0.00 0.55 0.15 -5.25 -1.26 -5.08 121.20 104.18 1xsc s ILE 21 Ca -0.13 0.00 -0.20 0.00 -0.99 0.00 0.00 60.65 59.33 1xsc s ILE 21 Cb 0.14 -1.00 -0.05 0.00 2.95 0.00 0.00 42.46 44.50 1xsc s ILE 21 CO 0.74 0.00 1.19 -2.84 -1.79 0.00 0.00 174.94 172.24 1xsc s PRO 22 N -1.83 3.24 0.00 0.37 0.02 -1.26 -4.90 135.00 130.64 1xsc s PRO 22 Ca 0.06 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.87 1xsc s PRO 22 Cb -0.01 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1xsc s PRO 22 CO -0.04 -0.98 0.00 1.63 -0.33 0.00 0.00 177.00 177.28 1xsc n LYS 23 N -1.25 0.00 0.00 5.54 4.01 -1.22 -5.02 118.16 120.22 1xsc n LYS 23 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1xsc n LYS 23 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 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 -1.30 0.00 -2.64 -0.18 0.24 -1.26 -4.93 118.33 108.26 1xsc n VAL 24 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1xsc n VAL 24 Cb 0.00 -0.13 0.03 0.00 -1.47 0.00 0.00 33.84 32.27 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xsc n ASP 25 N -1.73 2.19 -3.49 -1.34 -0.08 -1.26 -5.03 116.55 105.81 1xsc n ASP 25 Ca 0.00 -2.70 0.01 0.00 -1.51 0.00 0.00 54.79 50.59 1xsc n ASP 25 Cb 0.13 -0.49 -0.03 0.00 2.34 0.00 0.00 41.12 43.07 1xsc n ASP 25 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xsc s ASN 26 N -3.44 -1.14 1.01 1.67 2.20 -1.26 -5.17 114.94 108.82 1xsc s ASN 26 Ca 0.32 1.29 -0.01 0.00 -0.94 0.00 0.00 52.86 53.52 1xsc s ASN 26 Cb 0.40 2.19 0.01 0.00 -2.00 0.00 0.00 41.25 41.85 1xsc s ASN 26 CO -0.01 -0.22 0.05 0.59 -2.94 0.00 0.00 177.10 174.57 1xsc n ASN 27 N 5.40 -1.28 0.00 3.54 3.02 -1.26 -3.43 115.26 121.26 1xsc n ASN 27 Ca -0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1xsc n ASN 27 Cb 0.50 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 -3.09 -0.13 -2.89 5.41 0.00 -1.26 -4.42 120.51 114.12 1xsc n ALA 28 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1xsc n ALA 28 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.36 5.39 -0.05 0.00 1.01 -1.26 -2.35 121.20 122.58 1xsc s ILE 29 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1xsc s ILE 29 Cb 0.00 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1xsc s ILE 29 CO 0.00 0.24 0.01 -1.61 0.00 0.00 0.00 174.94 173.57 1xsc s GLU 30 N -2.20 0.43 0.14 2.79 2.02 -0.98 -4.10 118.70 116.80 1xsc s GLU 30 Ca 0.31 0.13 -0.20 0.00 0.02 0.00 0.00 54.97 55.24 1xsc s GLU 30 Cb -0.13 -0.77 -0.07 0.00 0.10 0.00 0.00 34.13 33.26 1xsc s GLU 30 CO 0.23 -0.25 0.65 -0.06 0.02 0.00 0.00 175.26 175.84 1xsc s PHE 31 N 1.71 3.76 0.09 1.61 0.08 0.31 0.10 117.98 125.64 1xsc s PHE 31 Ca 0.00 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.10 1xsc s PHE 31 Cb -0.13 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.70 1xsc s PHE 31 CO -0.04 0.48 0.97 -1.17 -0.10 0.00 0.00 175.22 175.37 1xsc s LEU 32 N -1.47 4.47 -0.01 -0.37 2.96 -0.38 -2.17 118.68 121.70 1xsc s LEU 32 Ca 0.35 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1xsc s LEU 32 Cb -0.19 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.92 1xsc s LEU 32 CO 0.21 -0.11 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.34 1xsc s LEU 33 N 0.22 1.78 -0.16 -0.68 1.43 0.40 -4.36 118.68 117.30 1xsc s LEU 33 Ca 0.48 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1xsc s LEU 33 Cb -0.23 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1xsc s LEU 33 CO 0.29 0.01 -0.11 -0.76 0.23 0.00 0.00 176.35 176.02 1xsc s LEU 34 N 0.22 2.73 1.15 1.79 1.43 -0.60 0.17 118.68 125.58 1xsc s LEU 34 Ca -0.02 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1xsc s LEU 34 Cb -0.05 -1.64 0.24 0.00 0.03 0.00 0.00 46.19 44.76 1xsc s LEU 34 CO -0.00 0.09 0.76 1.67 0.23 0.00 0.00 176.35 179.10 1xsc n GLN 35 N 4.03 -2.15 0.04 1.70 7.27 0.11 -1.80 117.38 126.58 1xsc n GLN 35 Ca -0.18 -0.60 -0.00 0.00 0.07 0.00 0.00 57.00 56.28 1xsc n GLN 35 Cb 0.52 -2.05 -0.07 0.00 2.41 0.00 0.00 30.24 31.04 1xsc n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsc h ALA 36 N -2.49 0.66 0.00 1.69 0.00 -1.21 -3.38 119.26 114.52 1xsc h ALA 36 Ca -0.59 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.48 1xsc h ALA 36 Cb 1.34 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xsc h ALA 36 CO 0.46 0.93 0.00 -1.13 0.00 0.00 0.00 179.25 179.51 1xsc n SER 37 N -2.95 0.00 -0.91 0.00 3.41 -1.26 -4.43 113.62 107.49 1xsc n SER 37 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1xsc n SER 37 Cb 0.84 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.00 0.00 0.00 4.04 10.43 -1.26 -4.88 116.55 124.87 1xsc n ASP 38 Ca 0.00 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.45 1xsc n ASP 38 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xsc n GLY 39 N 0.00 4.17 0.43 0.44 0.00 -1.26 -0.58 105.19 108.39 1xsc n GLY 39 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1xsc n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsc n ILE 40 N 0.00 0.00 -2.03 -0.61 3.06 -1.26 -4.93 119.36 113.59 1xsc n ILE 40 Ca 0.00 -0.22 -0.17 0.00 -2.50 0.00 0.00 62.75 59.85 1xsc n ILE 40 Cb 0.00 0.56 -0.03 0.00 0.54 0.00 0.00 39.64 40.70 1xsc n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsc n HIS 41 N -0.04 -0.53 -0.77 9.51 8.25 0.25 -4.96 115.22 126.94 1xsc n HIS 41 Ca 0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.31 1xsc n HIS 41 Cb 0.37 -3.29 0.16 0.00 1.12 0.00 0.00 29.99 28.36 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 -2.78 1.65 -0.10 4.41 -3.43 -1.26 -4.20 115.29 109.58 1xsc s HIS 42 Ca 0.00 1.78 0.00 0.00 -0.80 0.00 0.00 55.06 56.04 1xsc s HIS 42 Cb 0.00 -3.36 -0.02 0.00 -1.43 0.00 0.00 32.58 27.76 1xsc s HIS 42 CO 0.00 -2.81 -0.09 -1.58 -2.00 0.00 0.00 174.74 168.26 1xsc s TRP 43 N -2.58 2.88 -0.11 0.38 0.52 -1.24 -0.95 118.94 117.84 1xsc s TRP 43 Ca 0.68 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 56.27 1xsc s TRP 43 Cb -0.24 -1.78 0.08 0.00 -1.15 0.00 0.00 33.47 30.38 1xsc s TRP 43 CO 0.57 0.10 0.72 0.95 0.02 0.00 0.00 176.95 179.31 1xsc s THR 44 N -0.29 0.00 1.17 2.01 -4.23 -0.74 -4.20 115.64 109.36 1xsc s THR 44 Ca 0.03 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 1xsc s THR 44 Cb -0.13 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 73.00 1xsc s THR 44 CO 0.03 0.00 1.03 -2.16 -0.54 0.00 0.00 174.62 172.97 1xsc s PRO 45 N -0.83 -0.95 -0.46 3.99 0.04 -1.26 -1.56 135.00 133.98 1xsc s PRO 45 Ca -0.08 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 61.50 1xsc s PRO 45 Cb -0.01 -1.55 0.01 0.00 0.04 0.00 0.00 34.50 32.99 1xsc s PRO 45 CO 0.07 -3.74 1.40 -1.25 0.04 0.00 0.00 177.00 173.53 1xsc s PRO 46 N -4.47 3.49 -0.07 0.56 0.04 -1.26 -4.81 135.00 128.48 1xsc s PRO 46 Ca 0.68 0.78 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1xsc s PRO 46 Cb -0.25 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 1xsc s PRO 46 CO 0.64 -1.68 0.02 -1.59 0.04 0.00 0.00 177.00 174.44 1xsc s LYS 47 N 5.10 2.99 0.00 4.56 -2.85 -1.26 -2.98 119.74 125.30 1xsc s LYS 47 Ca 0.58 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 1xsc s LYS 47 Cb -0.12 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.84 1xsc s LYS 47 CO 0.31 0.69 0.00 0.41 0.10 0.00 0.00 175.35 176.86 1xsc n GLY 48 N 1.94 4.79 2.81 0.59 0.00 0.28 -4.87 105.19 110.73 1xsc n GLY 48 Ca -0.18 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 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 1.19 1.88 -0.36 1.61 0.09 -1.26 -2.24 115.29 116.19 1xsc s HIS 49 Ca 0.00 -1.62 -0.29 0.00 -0.00 0.00 0.00 55.06 53.15 1xsc s HIS 49 Cb 0.00 -1.60 0.01 0.00 -0.00 0.00 0.00 32.58 30.99 1xsc s HIS 49 CO 0.00 -0.79 1.19 0.54 -0.00 0.00 0.00 174.74 175.68 1xsc s VAL 50 N 1.56 4.27 1.09 -0.90 0.11 -1.20 -4.94 120.40 120.39 1xsc s VAL 50 Ca 0.03 1.40 -0.18 0.00 -2.93 0.00 0.00 61.98 60.30 1xsc s VAL 50 Cb -0.18 -4.36 0.25 0.00 -1.53 0.00 0.00 36.38 30.56 1xsc s VAL 50 CO -0.15 -0.63 1.21 -1.83 -3.33 0.00 0.00 175.10 170.38 1xsc s GLU 51 N 4.12 -0.38 0.12 1.54 -1.05 -1.26 -4.66 118.70 117.13 1xsc s GLU 51 Ca 0.51 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.89 1xsc s GLU 51 Cb -0.13 -1.71 -0.05 0.00 -0.44 0.00 0.00 34.13 31.80 1xsc s GLU 51 CO 0.23 -3.12 1.71 -1.35 0.95 0.00 0.00 175.26 173.68 1xsc h PRO 52 N -2.16 -0.00 -0.62 -4.83 0.11 -2.01 -2.53 132.00 119.97 1xsc h PRO 52 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xsc h PRO 52 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xsc h PRO 52 CO 0.36 -0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 1xsc n GLY 53 N -1.18 2.07 3.93 -0.55 0.00 -1.26 -4.95 105.19 103.25 1xsc n GLY 53 Ca -0.03 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.55 2.60 0.36 1.61 2.12 -0.95 -5.09 118.70 117.80 1xsc s GLU 54 Ca 0.41 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 1xsc s GLU 54 Cb 0.25 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 1xsc s GLU 54 CO 0.23 -0.92 0.61 0.34 -0.54 0.00 0.00 175.26 174.98 1xsc s ASP 55 N -4.40 6.32 -0.04 -1.70 -1.08 -1.26 -4.77 116.67 109.74 1xsc s ASP 55 Ca 0.57 0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 53.11 1xsc s ASP 55 Cb -0.11 -2.11 -0.06 0.00 -1.46 0.00 0.00 42.92 39.18 1xsc s ASP 55 CO 0.44 -0.34 0.51 0.44 0.52 0.00 0.00 175.17 176.75 1xsc h ASP 56 N 0.85 -0.34 -0.79 -0.34 5.19 -1.98 -3.08 116.42 115.94 1xsc h ASP 56 Ca -0.49 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 55.89 1xsc h ASP 56 Cb 1.21 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1xsc h ASP 56 CO 0.63 0.03 0.31 0.25 -3.12 0.00 0.00 179.24 177.34 1xsc h LEU 57 N -0.96 1.09 -0.47 1.55 5.85 -1.96 -2.96 115.31 117.45 1xsc h LEU 57 Ca -0.04 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1xsc h LEU 57 Cb 0.31 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 1xsc h LEU 57 CO 0.07 0.96 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.64 1xsc h GLU 58 N 1.15 -0.05 -0.89 1.25 5.08 -1.98 1.28 114.58 120.42 1xsc h GLU 58 Ca 0.26 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1xsc h GLU 58 Cb 0.22 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1xsc h GLU 58 CO -0.02 -0.03 0.54 1.15 -1.00 0.00 0.00 179.01 179.64 1xsc h THR 59 N -0.05 0.95 -0.01 1.13 2.02 -1.42 1.31 112.91 116.85 1xsc h THR 59 Ca 0.23 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1xsc h THR 59 Cb 0.40 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1xsc h THR 59 CO -0.51 0.17 -0.61 0.00 0.37 0.00 0.00 175.52 174.93 1xsc h ALA 60 N 1.46 0.97 0.08 6.16 0.00 -0.71 -0.99 119.26 126.24 1xsc h ALA 60 Ca 0.42 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xsc h ALA 60 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xsc h ALA 60 CO -0.23 0.76 -0.04 -0.07 0.00 0.00 0.00 179.25 179.67 1xsc h LEU 61 N 0.02 -0.09 -0.85 0.00 3.38 0.43 -2.68 115.31 115.52 1xsc h LEU 61 Ca -0.01 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1xsc h LEU 61 Cb 1.09 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1xsc h LEU 61 CO 0.08 0.50 0.47 -0.09 0.09 0.00 0.00 178.44 179.49 1xsc h ARG 62 N -0.75 1.19 -0.64 1.13 1.12 0.15 -1.69 114.38 114.89 1xsc h ARG 62 Ca -0.01 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1xsc h ARG 62 Cb 0.58 -0.23 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 1xsc h ARG 62 CO 0.02 0.87 0.41 0.00 -3.11 0.00 0.00 179.97 178.16 1xsc h ALA 63 N 1.25 1.51 0.80 2.80 0.00 -1.25 0.32 119.26 124.70 1xsc h ALA 63 Ca 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1xsc h ALA 63 Cb 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xsc h ALA 63 CO -0.05 0.44 -0.40 1.15 0.00 0.00 0.00 179.25 180.40 1xsc h THR 64 N 0.88 0.19 0.00 0.00 2.02 -0.96 0.50 112.91 115.54 1xsc h THR 64 Ca 0.23 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 1xsc h THR 64 Cb -0.07 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1xsc h THR 64 CO -0.05 0.00 -0.08 0.06 0.37 0.00 0.00 175.52 175.82 1xsc h GLN 65 N -1.09 0.00 0.14 6.66 3.07 0.64 1.61 115.11 126.15 1xsc h GLN 65 Ca -0.11 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.40 1xsc h GLN 65 Cb 0.84 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.43 1xsc h GLN 65 CO 0.17 0.08 -0.99 0.93 0.09 0.00 0.00 178.83 179.12 1xsc h GLU 66 N 0.00 0.42 -0.13 0.06 5.08 0.00 0.24 114.58 120.25 1xsc h GLU 66 Ca -0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1xsc h GLU 66 Cb 0.51 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xsc h GLU 66 CO 0.01 1.29 0.00 0.39 -1.00 0.00 0.00 179.01 179.70 1xsc n GLU 67 N -4.00 1.89 0.00 2.33 4.71 0.17 -4.24 120.64 121.50 1xsc n GLU 67 Ca -0.14 -1.80 0.00 0.00 -0.01 0.00 0.00 57.16 55.21 1xsc n GLU 67 Cb 0.88 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 1xsc n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xsc n ALA 68 N 1.13 0.00 -0.60 0.62 0.00 0.55 -3.77 120.51 118.43 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 0.50 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 0.57 3.59 0.00 0.00 0.84 -1.49 105.19 108.70 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 -2.24 4.86 0.47 -0.61 1.01 -1.23 -4.73 121.20 118.73 1xsc s ILE 70 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.72 1xsc s ILE 70 Cb 0.00 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1xsc s ILE 70 CO 0.00 0.38 0.29 -1.83 0.00 0.00 0.00 174.94 173.78 1xsc s GLU 71 N 1.01 2.30 0.35 2.79 -1.05 -1.26 0.62 118.70 123.46 1xsc s GLU 71 Ca 0.05 -1.88 0.13 0.00 -0.15 0.00 0.00 54.97 53.12 1xsc s GLU 71 Cb -0.14 -2.08 0.96 0.00 -0.44 0.00 0.00 34.13 32.43 1xsc s GLU 71 CO 0.03 -0.32 1.76 0.00 0.95 0.00 0.00 175.26 177.68 1xsc h ALA 72 N 1.10 1.97 0.00 -0.84 0.00 -1.87 1.12 119.26 120.74 1xsc h ALA 72 Ca -0.40 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xsc h ALA 72 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xsc h ALA 72 CO 0.63 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1xsc n GLY 73 N -1.39 -1.08 0.00 0.00 0.00 -1.26 -2.08 105.19 99.38 1xsc n GLY 73 Ca 0.25 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.47 1xsc n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsc n GLN 74 N -2.21 1.35 -3.38 1.61 6.02 0.37 -4.98 117.38 116.15 1xsc n GLN 74 Ca 0.01 -0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.76 1xsc n GLN 74 Cb 0.14 -1.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsc n LEU 75 N -1.69 0.00 -3.80 1.08 -0.00 -0.34 0.84 117.00 113.09 1xsc n LEU 75 Ca -0.00 -1.70 -0.30 0.00 -0.00 0.00 0.00 56.01 54.01 1xsc n LEU 75 Cb 0.30 0.32 -0.15 0.00 -0.00 0.00 0.00 43.42 43.89 1xsc n LEU 75 CO 0.29 -0.25 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.21 1xsc s THR 76 N -2.11 1.19 -0.26 1.47 2.01 0.20 -4.77 115.64 113.36 1xsc s THR 76 Ca 0.04 -1.56 -0.29 0.00 0.31 0.00 0.00 61.69 60.19 1xsc s THR 76 Cb 0.00 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1xsc s THR 76 CO 0.03 -0.62 1.45 -0.63 -0.69 0.00 0.00 174.62 174.16 1xsc s ILE 77 N 1.47 3.93 0.18 1.82 -1.09 -1.26 -1.61 121.20 124.63 1xsc s ILE 77 Ca 0.09 1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 1xsc s ILE 77 Cb -0.18 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 36.69 1xsc s ILE 77 CO -0.20 -0.38 1.09 -0.63 -1.23 0.00 0.00 174.94 173.58 1xsc s ILE 78 N 4.75 3.90 0.20 2.92 1.09 0.28 -4.98 121.20 129.36 1xsc s ILE 78 Ca 0.64 1.65 -0.05 0.00 -1.10 0.00 0.00 60.65 61.78 1xsc s ILE 78 Cb -0.21 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.08 1xsc s ILE 78 CO 0.26 0.29 0.46 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsc s GLU 79 N -0.41 3.65 0.00 2.79 2.02 -1.26 -4.26 118.70 121.23 1xsc s GLU 79 Ca 0.49 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1xsc s GLU 79 Cb -0.29 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1xsc s GLU 79 CO 0.35 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.40 1xsc n GLY 80 N -0.29 3.30 3.51 -1.39 0.00 -1.26 -5.04 105.19 104.02 1xsc n GLY 80 Ca -0.02 0.00 -0.35 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 -2.98 3.09 -0.27 1.61 2.19 -1.26 -5.08 117.98 115.27 1xsc s PHE 81 Ca 0.00 -0.28 -0.12 0.00 0.33 0.00 0.00 56.93 56.86 1xsc s PHE 81 Cb 0.00 -2.06 0.10 0.00 -1.31 0.00 0.00 43.02 39.75 1xsc s PHE 81 CO 0.00 -0.10 0.63 0.21 1.83 0.00 0.00 175.22 177.79 1xsc s LYS 82 N 0.72 0.60 -0.03 10.12 2.20 -1.26 -4.66 119.74 127.43 1xsc s LYS 82 Ca 0.01 1.27 -0.07 0.00 -0.36 0.00 0.00 55.97 56.82 1xsc s LYS 82 Cb -0.14 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1xsc s LYS 82 CO 0.02 -0.18 0.16 1.03 -0.36 0.00 0.00 175.35 176.02 1xsc s ARG 83 N 2.21 0.35 -0.10 4.03 1.81 -1.24 -4.99 118.95 121.03 1xsc s ARG 83 Ca -0.08 -0.08 0.02 0.00 -1.72 0.00 0.00 55.73 53.87 1xsc s ARG 83 Cb -0.09 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1xsc s ARG 83 CO -0.18 -0.07 -0.14 -1.83 -0.68 0.00 0.00 175.30 172.39 1xsc s GLU 84 N -0.66 2.08 -0.26 3.54 1.03 -1.25 0.12 118.70 123.30 1xsc s GLU 84 Ca -0.07 -0.52 -0.19 0.00 0.03 0.00 0.00 54.97 54.22 1xsc s GLU 84 Cb -0.04 -1.76 -0.02 0.00 -0.80 0.00 0.00 34.13 31.50 1xsc s GLU 84 CO 0.01 -0.04 0.59 -0.51 -1.33 0.00 0.00 175.26 173.97 1xsc s LEU 85 N 0.93 4.06 -0.19 1.83 1.43 0.19 -4.73 118.68 122.19 1xsc s LEU 85 Ca -0.08 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.62 1xsc s LEU 85 Cb -0.15 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 1xsc s LEU 85 CO -0.00 -0.34 -0.04 0.20 0.23 0.00 0.00 176.35 176.41 1xsc s ASN 86 N 1.49 4.54 -0.28 2.29 0.02 -1.24 -0.85 114.94 120.90 1xsc s ASN 86 Ca 0.24 -0.28 -0.23 0.00 -1.02 0.00 0.00 52.86 51.58 1xsc s ASN 86 Cb -0.16 -1.76 0.12 0.00 0.02 0.00 0.00 41.25 39.47 1xsc s ASN 86 CO 0.09 0.06 0.97 -0.72 0.02 0.00 0.00 177.10 177.51 1xsc s TYR 87 N 1.02 -0.56 -0.34 2.20 -0.85 -1.14 -4.92 117.35 112.77 1xsc s TYR 87 Ca 0.01 1.30 -0.29 0.00 -0.52 0.00 0.00 57.07 57.57 1xsc s TYR 87 Cb -0.15 0.36 0.01 0.00 0.38 0.00 0.00 41.96 42.57 1xsc s TYR 87 CO 0.01 -0.27 1.29 0.54 -1.52 0.00 0.00 175.55 175.60 1xsc s VAL 88 N 0.50 4.13 0.00 -3.49 0.11 -1.26 -1.28 120.40 119.11 1xsc s VAL 88 Ca 0.00 1.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 1xsc s VAL 88 Cb -0.05 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.58 1xsc s VAL 88 CO -0.08 -0.57 0.00 0.00 -3.33 0.00 0.00 175.10 171.12 1xsc n ALA 89 N 7.81 0.00 -0.08 1.54 0.00 -0.80 -4.71 120.51 124.26 1xsc n ALA 89 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 1xsc n ALA 89 Cb 0.47 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.17 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 0.71 0.00 0.00 0.11 -2.04 -3.41 114.38 109.74 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 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 30.97 1xsc h ARG 90 CO 0.00 0.65 0.00 -1.71 0.10 0.00 0.00 179.97 179.01 1xsc n ASN 91 N -4.29 0.00 -3.66 0.08 2.85 -1.26 -5.15 115.26 103.82 1xsc n ASN 91 Ca 0.03 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.42 1xsc n ASN 91 Cb 0.22 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.15 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 0.55 -0.13 1.20 2.47 -1.26 -5.08 119.74 117.49 1xsc s LYS 92 Ca 0.00 1.08 -0.29 0.00 -1.56 0.00 0.00 55.97 55.20 1xsc s LYS 92 Cb 0.00 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1xsc s LYS 92 CO 0.00 -0.17 1.52 -1.25 0.16 0.00 0.00 175.35 175.62 1xsc s PRO 93 N 1.78 4.10 -0.19 4.03 0.04 -1.26 -1.91 135.00 141.58 1xsc s PRO 93 Ca -0.09 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1xsc s PRO 93 Cb -0.08 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1xsc s PRO 93 CO -0.17 -0.92 0.16 0.15 0.04 0.00 0.00 177.00 176.27 1xsc s LYS 94 N 4.04 4.19 -0.47 4.56 -0.14 -0.41 0.11 119.74 131.62 1xsc s LYS 94 Ca 0.67 -0.16 -0.18 0.00 -1.36 0.00 0.00 55.97 54.94 1xsc s LYS 94 Cb -0.28 -3.42 0.05 0.00 -1.68 0.00 0.00 37.83 32.50 1xsc s LYS 94 CO 0.25 0.30 0.54 0.99 -0.76 0.00 0.00 175.35 176.66 1xsc s THR 95 N 0.36 4.99 -0.38 2.17 2.01 0.11 -2.89 115.64 122.00 1xsc s THR 95 Ca 0.10 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1xsc s THR 95 Cb -0.11 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.26 1xsc s THR 95 CO -0.01 -0.64 0.19 -0.69 -0.69 0.00 0.00 174.62 172.78 1xsc s VAL 96 N 2.36 4.16 -0.08 3.82 1.01 -0.03 0.08 120.40 131.71 1xsc s VAL 96 Ca 0.13 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 1xsc s VAL 96 Cb -0.19 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1xsc s VAL 96 CO 0.12 -0.32 0.73 -0.63 0.00 0.00 0.00 175.10 175.00 1xsc s ILE 97 N 1.45 5.01 0.31 2.22 -1.09 -1.00 0.52 121.20 128.63 1xsc s ILE 97 Ca 0.01 1.48 0.08 0.00 -2.23 0.00 0.00 60.65 59.99 1xsc s ILE 97 Cb -0.21 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1xsc s ILE 97 CO 0.04 0.21 0.19 -0.31 -1.23 0.00 0.00 174.94 173.83 1xsc s TYR 98 N 1.06 2.87 -0.15 3.97 2.02 0.31 0.59 117.35 128.02 1xsc s TYR 98 Ca 0.38 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 1xsc s TYR 98 Cb -0.18 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1xsc s TYR 98 CO 0.17 0.36 0.39 -1.58 -1.57 0.00 0.00 175.55 173.32 1xsc s TRP 99 N -2.30 -0.48 -0.33 2.71 0.51 -1.23 -3.67 118.94 114.16 1xsc s TRP 99 Ca 0.37 1.10 -0.29 0.00 -2.12 0.00 0.00 56.10 55.16 1xsc s TRP 99 Cb -0.05 0.18 0.01 0.00 -0.81 0.00 0.00 33.47 32.79 1xsc s TRP 99 CO 0.24 -0.25 1.25 -0.51 -0.51 0.00 0.00 176.95 177.17 1xsc s LEU 100 N 0.65 3.85 0.11 2.99 1.43 -1.24 0.13 118.68 126.60 1xsc s LEU 100 Ca -0.04 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 1xsc s LEU 100 Cb -0.05 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1xsc s LEU 100 CO -0.04 -1.07 -0.19 0.00 0.23 0.00 0.00 176.35 175.27 1xsc s ALA 101 N 4.30 1.77 -0.21 4.21 0.00 0.22 0.99 121.76 133.04 1xsc s ALA 101 Ca 0.54 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1xsc s ALA 101 Cb -0.15 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1xsc s ALA 101 CO 0.23 0.30 -0.09 -2.00 0.00 0.00 0.00 175.76 174.20 1xsc s GLU 102 N -2.14 1.89 -0.06 0.00 2.12 -0.63 0.30 118.70 120.18 1xsc s GLU 102 Ca 0.08 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1xsc s GLU 102 Cb -0.09 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1xsc s GLU 102 CO 0.04 -0.48 1.38 0.14 -0.54 0.00 0.00 175.26 175.81 1xsc s VAL 103 N 1.40 3.92 0.38 3.70 -7.23 -1.25 0.61 120.40 121.93 1xsc s VAL 103 Ca -0.03 1.22 0.35 0.00 -1.81 0.00 0.00 61.98 61.71 1xsc s VAL 103 Cb -0.17 -3.78 0.38 0.00 0.56 0.00 0.00 36.38 33.37 1xsc s VAL 103 CO -0.08 -0.05 2.14 0.11 -0.31 0.00 0.00 175.10 176.91 1xsc h LYS 104 N 8.19 0.00 -4.67 4.82 1.57 0.12 -3.40 116.57 123.20 1xsc h LYS 104 Ca -0.34 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.74 1xsc h LYS 104 Cb 1.16 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.25 1xsc h LYS 104 CO 0.93 0.04 -0.51 -0.51 -0.57 0.00 0.00 179.45 178.83 1xsc s ASP 105 N -5.67 5.81 0.30 0.86 1.11 -1.26 -4.95 116.67 112.87 1xsc s ASP 105 Ca -0.02 -0.69 -0.00 0.00 0.18 0.00 0.00 52.55 52.01 1xsc s ASP 105 Cb 0.12 -2.06 0.50 0.00 1.07 0.00 0.00 42.92 42.54 1xsc s ASP 105 CO 0.51 -0.30 1.94 0.22 1.18 0.00 0.00 175.17 178.72 1xsc h TYR 106 N 8.45 1.03 -0.60 4.23 3.20 -1.99 0.31 116.97 131.60 1xsc h TYR 106 Ca -0.29 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.46 1xsc h TYR 106 Cb 1.13 -0.34 -0.09 0.00 1.54 0.00 0.00 36.73 38.97 1xsc h TYR 106 CO 0.61 0.59 0.16 -3.47 -1.64 0.00 0.00 178.16 174.41 1xsc n ASP 107 N -4.45 4.63 -4.34 -2.11 2.03 -1.26 -5.03 116.55 106.03 1xsc n ASP 107 Ca 0.12 -3.19 -0.40 0.00 0.52 0.00 0.00 54.79 51.84 1xsc n ASP 107 Cb 0.12 -0.69 0.01 0.00 -0.72 0.00 0.00 41.12 39.84 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1xsc n VAL 108 N -0.18 0.89 -2.43 5.18 3.14 0.09 -4.88 118.33 120.15 1xsc n VAL 108 Ca 0.35 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.84 1xsc n VAL 108 Cb 1.25 -0.23 -0.04 0.00 -1.06 0.00 0.00 33.84 33.76 1xsc n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsc s GLU 109 N -1.33 4.43 -0.30 1.45 1.03 -1.26 -5.02 118.70 117.70 1xsc s GLU 109 Ca 0.61 1.79 0.03 0.00 0.03 0.00 0.00 54.97 57.44 1xsc s GLU 109 Cb -0.53 -2.98 0.08 0.00 -0.80 0.00 0.00 34.13 29.91 1xsc s GLU 109 CO 0.62 0.03 -0.03 0.42 -1.33 0.00 0.00 175.26 174.96 1xsc s ILE 110 N -1.29 2.17 -0.58 1.83 -1.09 -1.24 -4.21 121.20 116.80 1xsc s ILE 110 Ca 0.49 -1.95 -0.12 0.00 -2.23 0.00 0.00 60.65 56.84 1xsc s ILE 110 Cb -0.31 -2.44 0.15 0.00 -1.58 0.00 0.00 42.46 38.28 1xsc s ILE 110 CO 0.39 -0.31 0.49 -0.13 -1.23 0.00 0.00 174.94 174.15 1xsc s ARG 111 N 1.03 2.89 0.04 2.79 3.00 -0.56 -4.85 118.95 123.29 1xsc s ARG 111 Ca 0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 55.73 53.72 1xsc s ARG 111 Cb -0.19 -4.15 -0.05 0.00 0.00 0.00 0.00 34.95 30.55 1xsc s ARG 111 CO -0.07 -1.26 0.34 -0.51 0.00 0.00 0.00 175.30 173.79 1xsc s LEU 112 N 1.12 4.37 0.00 2.53 1.43 -1.25 -0.93 118.68 125.95 1xsc s LEU 112 Ca 0.08 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1xsc s LEU 112 Cb -0.24 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1xsc s LEU 112 CO -0.01 0.22 0.00 -1.54 0.23 0.00 0.00 176.35 175.25 1xsc n SER 113 N 1.08 0.00 -0.04 2.29 3.41 -1.26 -4.92 113.62 114.18 1xsc n SER 113 Ca -0.10 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1xsc n SER 113 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1xsc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsc n HIS 114 N -1.21 0.00 -0.10 7.33 1.44 -1.26 -2.15 115.22 119.27 1xsc n HIS 114 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1xsc n HIS 114 Cb 0.00 -0.00 -0.15 0.00 0.12 0.00 0.00 29.99 29.96 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1xsc n GLU 115 N -0.43 0.83 -4.36 -1.40 1.02 -1.26 -4.92 120.64 110.11 1xsc n GLU 115 Ca 0.00 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1xsc n GLU 115 Cb 0.01 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.76 1xsc n GLU 115 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1xsc s HIS 116 N -2.47 2.06 -0.54 -0.32 3.76 -0.91 -4.07 115.29 112.80 1xsc s HIS 116 Ca -0.11 -1.02 0.24 0.00 -0.15 0.00 0.00 55.06 54.02 1xsc s HIS 116 Cb 0.06 -1.49 0.45 0.00 1.11 0.00 0.00 32.58 32.71 1xsc s HIS 116 CO 0.78 -0.53 1.55 -0.56 -0.85 0.00 0.00 174.74 175.13 1xsc h GLN 117 N 7.58 0.00 0.00 1.40 -0.00 -1.81 -3.39 115.11 118.89 1xsc h GLN 117 Ca -0.33 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1xsc h GLN 117 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.64 1xsc h GLN 117 CO 0.50 0.00 0.27 0.00 -0.00 0.00 0.00 178.83 179.60 1xsc n ALA 118 N -1.97 -1.43 -3.32 0.06 0.00 -1.26 -5.02 120.51 107.57 1xsc n ALA 118 Ca 0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.61 1xsc n ALA 118 Cb 0.49 0.55 -0.04 0.00 0.00 0.00 0.00 19.45 20.45 1xsc n ALA 118 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xsc s TYR 119 N -4.04 0.35 0.11 0.00 1.13 -1.26 0.07 117.35 113.71 1xsc s TYR 119 Ca 0.12 -0.75 -0.22 0.00 -1.41 0.00 0.00 57.07 54.82 1xsc s TYR 119 Cb -0.03 0.31 0.06 0.00 -1.10 0.00 0.00 41.96 41.21 1xsc s TYR 119 CO 0.06 -1.13 0.55 1.03 -2.51 0.00 0.00 175.55 173.55 1xsc s ARG 120 N -3.64 1.16 -0.27 -3.49 0.52 0.13 -4.91 118.95 108.44 1xsc s ARG 120 Ca 0.21 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1xsc s ARG 120 Cb -0.02 0.53 0.07 0.00 0.52 0.00 0.00 34.95 36.05 1xsc s ARG 120 CO 0.11 -0.47 -0.04 -1.58 0.02 0.00 0.00 175.30 173.34 1xsc s TRP 121 N -3.23 3.05 0.17 -0.53 0.52 -1.26 -0.46 118.94 117.21 1xsc s TRP 121 Ca -0.01 -2.29 0.01 0.00 0.02 0.00 0.00 56.10 53.83 1xsc s TRP 121 Cb -0.00 -2.05 -0.05 0.00 -1.15 0.00 0.00 33.47 30.22 1xsc s TRP 121 CO -0.08 -0.87 0.02 -0.51 0.02 0.00 0.00 176.95 175.53 1xsc s LEU 122 N 1.17 2.00 0.00 2.99 1.02 -0.92 -4.80 118.68 120.14 1xsc s LEU 122 Ca -0.02 -1.20 0.00 0.00 0.02 0.00 0.00 54.13 52.93 1xsc s LEU 122 Cb -0.19 0.02 0.00 0.00 0.02 0.00 0.00 46.19 46.04 1xsc s LEU 122 CO -0.07 -0.62 0.00 0.61 0.02 0.00 0.00 176.35 176.29 1xsc n GLY 123 N -0.23 -1.41 0.14 -3.19 0.00 -1.26 0.12 105.19 99.35 1xsc n GLY 123 Ca -0.06 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 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 0.58 0.01 0.99 5.85 -1.91 -1.71 115.31 119.11 1xsc h LEU 124 Ca 0.00 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 57.94 1xsc h LEU 124 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1xsc h LEU 124 CO 0.00 1.30 -0.11 1.05 -0.34 0.00 0.00 178.44 180.35 1xsc h GLU 125 N -0.09 -0.19 0.16 1.25 4.11 -1.97 0.30 114.58 118.16 1xsc h GLU 125 Ca -0.10 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1xsc h GLU 125 Cb 1.44 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1xsc h GLU 125 CO 0.14 -0.12 -0.08 0.93 0.07 0.00 0.00 179.01 179.95 1xsc h GLU 126 N -0.19 -0.21 -0.66 1.06 3.07 -1.91 0.22 114.58 115.96 1xsc h GLU 126 Ca 0.04 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.10 1xsc h GLU 126 Cb 0.24 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1xsc h GLU 126 CO -0.10 0.19 0.59 0.00 -1.40 0.00 0.00 179.01 178.29 1xsc h ALA 127 N -0.01 2.49 0.12 3.43 0.00 -1.27 1.05 119.26 125.07 1xsc h ALA 127 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1xsc h ALA 127 Cb 0.50 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xsc h ALA 127 CO 0.04 -0.94 -1.42 0.00 0.00 0.00 0.00 179.25 176.94 1xsc h GLN 129 N 0.07 0.74 0.12 0.00 -0.00 0.44 -2.97 115.11 113.51 1xsc h GLN 129 Ca -0.20 -0.14 -0.30 0.00 -0.00 0.00 0.00 58.65 58.01 1xsc h GLN 129 Cb 2.00 -0.11 0.03 0.00 -0.00 0.00 0.00 27.48 29.39 1xsc h GLN 129 CO 0.18 0.68 -1.26 -0.07 -0.00 0.00 0.00 178.83 178.36 1xsc h LEU 130 N 0.65 0.87 -3.78 0.06 3.38 -1.05 -3.30 115.31 112.14 1xsc h LEU 130 Ca 0.16 -0.81 -0.15 0.00 0.09 0.00 0.00 57.88 57.17 1xsc h LEU 130 Cb 0.23 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1xsc h LEU 130 CO -0.01 1.61 -0.30 0.00 0.09 0.00 0.00 178.44 179.83 1xsc n ALA 131 N -2.68 5.86 -0.62 1.53 0.00 -0.48 -3.72 120.51 120.39 1xsc n ALA 131 Ca -0.14 -1.43 0.48 0.00 0.00 0.00 0.00 53.44 52.36 1xsc n ALA 131 Cb 0.99 -2.03 0.74 0.00 0.00 0.00 0.00 19.45 19.16 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 2.28 0.00 -1.66 0.00 10.64 -1.16 -3.95 117.38 123.53 1xsc n GLN 132 Ca 0.34 1.04 -0.42 0.00 -1.83 0.00 0.00 57.00 56.12 1xsc n GLN 132 Cb 0.83 -2.42 -0.03 0.00 -0.86 0.00 0.00 30.24 27.75 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 -3.76 2.50 -0.27 2.61 3.01 -1.26 -4.86 117.46 115.43 1xsc n PHE 133 Ca 0.40 -0.36 0.08 0.00 1.01 0.00 0.00 57.45 58.58 1xsc n PHE 133 Cb 1.89 -2.80 0.21 0.00 -0.01 0.00 0.00 39.48 38.77 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 10.63 0.16 0.05 -1.08 3.64 -1.98 -1.73 116.57 126.26 1xsc h LYS 134 Ca -0.50 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1xsc h LYS 134 Cb 1.24 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1xsc h LYS 134 CO 0.94 0.11 -0.37 0.93 -2.27 0.00 0.00 179.45 178.79 1xsc h GLU 135 N 0.17 -0.54 -0.91 1.90 3.07 -1.89 -2.15 114.58 114.23 1xsc h GLU 135 Ca 0.46 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.38 1xsc h GLU 135 Cb 0.86 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.84 1xsc h GLU 135 CO -0.64 -0.36 0.60 0.52 -1.40 0.00 0.00 179.01 177.73 1xsc h MET 136 N -0.56 1.16 -0.86 2.33 2.86 -1.61 -1.60 114.93 116.66 1xsc h MET 136 Ca 0.04 -0.07 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1xsc h MET 136 Cb 0.62 -0.26 -0.09 0.00 0.06 0.00 0.00 31.60 31.92 1xsc h MET 136 CO -0.26 0.77 0.46 0.87 1.06 0.00 0.00 176.91 179.81 1xsc h LYS 137 N 1.20 0.64 -0.12 1.72 6.56 -0.86 0.45 116.57 126.16 1xsc h LYS 137 Ca 0.35 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.87 1xsc h LYS 137 Cb -0.08 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.43 1xsc h LYS 137 CO -0.09 0.43 -0.05 0.00 -2.06 0.00 0.00 179.45 177.67 1xsc h ALA 138 N 1.55 0.16 -0.48 3.86 0.00 -0.73 0.48 119.26 124.10 1xsc h ALA 138 Ca 0.46 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1xsc h ALA 138 Cb 0.63 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1xsc h ALA 138 CO -0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 1xsc h ALA 139 N 0.66 0.41 0.00 0.00 0.00 -0.33 0.63 119.26 120.63 1xsc h ALA 139 Ca 0.03 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1xsc h ALA 139 Cb 0.50 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xsc h ALA 139 CO 0.02 -0.41 -0.49 -0.07 0.00 0.00 0.00 179.25 178.30 1xsc h LEU 140 N 0.07 0.00 0.17 0.00 3.38 -0.92 -2.03 115.31 115.98 1xsc h LEU 140 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1xsc h LEU 140 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xsc h LEU 140 CO -0.44 0.49 -0.08 1.56 0.09 0.00 0.00 178.44 180.06 1xsc h GLN 141 N 0.00 -0.21 0.00 1.13 1.08 0.29 -2.76 115.11 114.64 1xsc h GLN 141 Ca -0.00 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1xsc h GLN 141 Cb 1.09 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.56 1xsc h GLN 141 CO 0.06 0.15 -0.40 0.93 -0.95 0.00 0.00 178.83 178.62 1xsc h GLU 142 N -0.63 0.00 -0.21 1.46 4.39 0.05 -2.02 114.58 117.62 1xsc h GLU 142 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1xsc h GLU 142 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 1xsc h GLU 142 CO 0.04 0.40 0.09 0.78 -1.16 0.00 0.00 179.01 179.16 1xsc h GLY 143 N 1.36 0.27 2.00 -3.84 0.00 -1.31 0.16 103.07 101.71 1xsc h GLY 143 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1xsc h GLY 143 CO 0.05 0.05 -0.65 0.84 0.00 0.00 0.00 176.54 176.83 1xsc h HIS 144 N 0.20 0.00 0.09 5.60 -0.00 -1.38 -2.51 115.15 117.14 1xsc h HIS 144 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1xsc h HIS 144 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1xsc h HIS 144 CO -0.11 0.65 -0.04 0.37 -0.00 0.00 0.00 177.93 178.80 1xsc h GLN 145 N 0.00 -0.11 0.09 5.26 5.75 -0.84 -1.93 115.11 123.33 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 1.23 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1xsc h GLN 145 CO 0.08 0.28 -0.04 0.35 -2.65 0.00 0.00 178.83 176.85 1xsc h PHE 146 N -0.53 -0.11 -0.51 3.99 3.57 -0.76 -2.89 116.94 119.69 1xsc h PHE 146 Ca -0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1xsc h PHE 146 Cb 0.45 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1xsc h PHE 146 CO 0.06 0.17 0.35 -0.07 -2.23 0.00 0.00 178.31 176.59 1xsc h LEU 147 N -0.39 0.23 -0.24 0.59 3.38 -1.54 0.31 115.31 117.65 1xsc h LEU 147 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xsc h LEU 147 Cb 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xsc h LEU 147 CO 0.02 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1xsc n SER 149 N -2.14 1.04 0.00 0.00 2.88 0.10 -4.92 113.62 110.58 1xsc n SER 149 Ca 0.04 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1xsc n SER 149 Cb 0.34 0.92 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.40 0.00 0.00 2.46 5.41 -0.79 -5.10 119.36 119.94 1xsc n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsc n ILE 150 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 1xsc n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsc n GLU 151 N 0.00 0.00 0.00 0.38 0.00 -1.26 -5.09 120.64 114.67 1xsc n GLU 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1xsc n GLU 151 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1xsc n GLU 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xsc n ALA 152 N -2.52 0.54 -0.99 4.31 0.00 -1.26 -5.11 120.51 115.48 1xsc n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsc n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsc n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78