#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 2.82 0.26 1.61 0.04 -1.26 -4.96 135.00 133.51 1xsc s PRO 2 Ca 0.00 -0.54 -0.30 0.00 0.04 0.00 0.00 61.00 60.20 1xsc s PRO 2 Cb 0.00 -5.15 -0.10 0.00 0.04 0.00 0.00 34.50 29.30 1xsc s PRO 2 CO 0.00 -3.10 1.35 -0.48 0.04 0.00 0.00 177.00 174.81 1xsc s LEU 3 N 8.81 4.41 -0.96 -3.56 2.34 -1.26 -4.89 118.68 123.57 1xsc s LEU 3 Ca 0.64 2.58 -0.08 0.00 0.06 0.00 0.00 54.13 57.33 1xsc s LEU 3 Cb -0.05 -3.63 -0.16 0.00 -0.56 0.00 0.00 46.19 41.80 1xsc s LEU 3 CO -0.02 -0.59 3.15 0.61 -1.06 0.00 0.00 176.35 178.44 1xsc n GLY 4 N 1.82 3.69 3.79 -3.48 0.00 -1.26 -4.93 105.19 104.81 1xsc n GLY 4 Ca 0.04 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.40 1xsc n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsc s SER 5 N 2.17 5.38 0.62 1.61 1.04 -1.26 -4.83 113.70 118.43 1xsc s SER 5 Ca 0.67 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1xsc s SER 5 Cb 0.23 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1xsc s SER 5 CO -0.04 -1.44 0.00 0.80 0.98 0.00 0.00 173.24 173.54 1xsc n MET 6 N -2.42 -3.37 -1.42 4.02 1.56 -1.26 -4.98 117.12 109.25 1xsc n MET 6 Ca 0.09 2.75 0.17 0.00 -0.27 0.00 0.00 57.70 60.45 1xsc n MET 6 Cb 0.53 -3.90 -0.08 0.00 2.15 0.00 0.00 33.22 31.91 1xsc n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xsc n ALA 7 N -4.25 -3.74 -2.62 -5.12 0.00 -1.26 -4.89 120.51 98.63 1xsc n ALA 7 Ca -0.09 0.80 -0.34 0.00 0.00 0.00 0.00 53.44 53.81 1xsc n ALA 7 Cb 0.67 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -7.13 3.29 -0.17 0.00 1.02 0.18 -4.97 118.68 110.91 1xsc s LEU 8 Ca 0.00 0.03 -0.26 0.00 0.02 0.00 0.00 54.13 53.92 1xsc s LEU 8 Cb 0.00 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 1xsc s LEU 8 CO 0.00 0.37 0.85 -0.13 0.02 0.00 0.00 176.35 177.46 1xsc s ARG 9 N -0.82 4.31 0.13 1.70 0.52 -1.26 -0.54 118.95 122.98 1xsc s ARG 9 Ca 0.12 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1xsc s ARG 9 Cb -0.11 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 1xsc s ARG 9 CO 0.02 -0.33 0.01 0.00 0.02 0.00 0.00 175.30 175.01 1xsc s ALA 10 N 2.16 1.02 -0.26 2.13 0.00 0.85 -1.59 121.76 126.07 1xsc s ALA 10 Ca 0.39 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1xsc s ALA 10 Cb -0.17 0.57 0.10 0.00 0.00 0.00 0.00 23.12 23.62 1xsc s ALA 10 CO 0.13 -0.37 0.60 0.00 0.00 0.00 0.00 175.76 176.11 1xsc s GLY 12 N 2.32 2.42 -0.17 0.00 0.00 0.34 -1.21 107.32 111.01 1xsc s GLY 12 Ca -0.07 -2.18 0.01 0.00 0.00 0.00 0.00 44.72 42.48 1xsc s GLY 12 CO -0.18 -2.00 -0.14 -2.27 0.00 0.00 0.00 173.10 168.52 1xsc s LEU 13 N -3.82 2.01 -0.91 0.66 0.20 -1.17 -3.09 118.68 112.56 1xsc s LEU 13 Ca 0.38 -0.68 -0.21 0.00 0.69 0.00 0.00 54.13 54.32 1xsc s LEU 13 Cb 0.06 -1.26 0.10 0.00 -0.43 0.00 0.00 46.19 44.67 1xsc s LEU 13 CO 0.20 -0.08 1.18 -0.63 -0.29 0.00 0.00 176.35 176.74 1xsc s ILE 14 N 1.41 4.45 0.36 6.68 1.01 0.23 -4.20 121.20 131.14 1xsc s ILE 14 Ca 0.02 -1.15 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 1xsc s ILE 14 Cb -0.14 -4.84 -0.10 0.00 0.01 0.00 0.00 42.46 37.39 1xsc s ILE 14 CO -0.10 -1.61 0.95 -0.63 0.00 0.00 0.00 174.94 173.54 1xsc s ILE 15 N 3.52 4.27 -0.18 2.92 1.01 -1.26 -0.50 121.20 130.97 1xsc s ILE 15 Ca 0.34 1.71 -0.07 0.00 0.00 0.00 0.00 60.65 62.63 1xsc s ILE 15 Cb -0.05 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.63 1xsc s ILE 15 CO -0.06 -0.02 0.40 0.72 0.00 0.00 0.00 174.94 175.98 1xsc s PHE 16 N -1.81 -0.71 -0.42 3.97 -0.71 0.69 -1.75 117.98 117.25 1xsc s PHE 16 Ca 0.54 1.40 -0.27 0.00 -1.04 0.00 0.00 56.93 57.56 1xsc s PHE 16 Cb -0.15 0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1xsc s PHE 16 CO 0.20 -0.43 1.03 0.50 -1.34 0.00 0.00 175.22 175.18 1xsc s ARG 17 N 2.31 3.77 -0.21 1.99 3.00 0.26 -3.83 118.95 126.25 1xsc s ARG 17 Ca -0.03 0.57 -0.10 0.00 -1.00 0.00 0.00 55.73 55.16 1xsc s ARG 17 Cb -0.11 -3.86 -0.05 0.00 0.00 0.00 0.00 34.95 30.93 1xsc s ARG 17 CO -0.12 -1.16 0.15 0.50 0.00 0.00 0.00 175.30 174.67 1xsc s ARG 18 N 3.92 4.16 0.85 5.12 6.06 -1.26 -2.46 118.95 135.34 1xsc s ARG 18 Ca 0.43 -0.21 -0.10 0.00 -2.50 0.00 0.00 55.73 53.35 1xsc s ARG 18 Cb -0.10 -3.46 0.11 0.00 0.06 0.00 0.00 34.95 31.56 1xsc s ARG 18 CO 0.24 0.22 1.12 0.00 -2.50 0.00 0.00 175.30 174.39 1xsc h LEU 20 N -1.53 0.07 -7.00 0.00 -0.00 -1.98 -3.42 115.31 101.45 1xsc h LEU 20 Ca -0.44 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.50 1xsc h LEU 20 Cb 1.25 -0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.71 1xsc h LEU 20 CO 0.46 0.02 0.42 0.27 -0.00 0.00 0.00 178.44 179.62 1xsc s ILE 21 N -5.05 0.00 0.68 0.15 -5.25 -1.26 -5.17 121.20 105.30 1xsc s ILE 21 Ca -0.06 0.00 -0.12 0.00 -0.99 0.00 0.00 60.65 59.49 1xsc s ILE 21 Cb 0.22 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.64 1xsc s ILE 21 CO 0.79 0.00 1.06 -2.84 -1.79 0.00 0.00 174.94 172.16 1xsc s PRO 22 N -1.55 2.97 0.00 0.37 0.02 -1.26 -5.02 135.00 130.54 1xsc s PRO 22 Ca -0.03 1.00 0.00 0.00 0.02 0.00 0.00 61.00 61.99 1xsc s PRO 22 Cb -0.00 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1xsc s PRO 22 CO 0.02 -1.07 0.00 1.63 -0.33 0.00 0.00 177.00 177.24 1xsc n LYS 23 N -2.97 0.00 0.00 5.54 4.76 -1.26 -4.94 118.16 119.29 1xsc n LYS 23 Ca 0.08 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.63 1xsc n LYS 23 Cb 0.53 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.76 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsc n VAL 24 N -0.99 0.00 -2.63 -0.18 0.31 -1.26 -4.96 118.33 108.62 1xsc n VAL 24 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1xsc n VAL 24 Cb 0.00 0.70 0.02 0.00 -0.91 0.00 0.00 33.84 33.64 1xsc n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsc n ASP 25 N -1.47 -4.40 0.00 4.52 -0.08 -1.26 -4.96 116.55 108.90 1xsc n ASP 25 Ca 0.05 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1xsc n ASP 25 Cb 0.33 -3.34 0.00 0.00 2.34 0.00 0.00 41.12 40.45 1xsc n ASP 25 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1xsc n ASN 26 N -0.87 0.00 -1.44 1.67 6.94 -1.26 -4.78 115.26 115.52 1xsc n ASN 26 Ca -0.09 0.19 -0.03 0.00 -0.02 0.00 0.00 54.58 54.63 1xsc n ASN 26 Cb 0.59 -0.44 0.10 0.00 -2.36 0.00 0.00 39.78 37.66 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1xsc n ASN 27 N -2.15 2.32 0.15 0.53 4.13 -1.26 -4.82 115.26 114.16 1xsc n ASN 27 Ca 0.00 -3.20 0.19 0.00 1.68 0.00 0.00 54.58 53.25 1xsc n ASN 27 Cb 0.00 -0.43 0.75 0.00 -1.54 0.00 0.00 39.78 38.56 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xsc h ALA 28 N 1.50 1.94 -4.18 5.41 0.00 -1.93 -3.40 119.26 118.60 1xsc h ALA 28 Ca 0.02 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 1xsc h ALA 28 Cb 1.37 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.89 1xsc h ALA 28 CO 0.23 -0.60 -0.81 0.42 0.00 0.00 0.00 179.25 178.48 1xsc s ILE 29 N -4.47 1.13 -0.05 0.00 1.01 -1.26 -2.42 121.20 115.14 1xsc s ILE 29 Ca -0.04 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1xsc s ILE 29 Cb 0.13 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1xsc s ILE 29 CO 0.47 0.30 -0.02 -1.61 0.00 0.00 0.00 174.94 174.07 1xsc s GLU 30 N -0.40 0.68 0.26 2.79 8.01 -1.03 -4.33 118.70 124.69 1xsc s GLU 30 Ca 0.05 -0.02 -0.10 0.00 0.01 0.00 0.00 54.97 54.91 1xsc s GLU 30 Cb -0.06 -0.82 -0.07 0.00 -4.31 0.00 0.00 34.13 28.87 1xsc s GLU 30 CO -0.00 -0.15 0.60 -0.06 0.01 0.00 0.00 175.26 175.65 1xsc s PHE 31 N 1.23 3.42 0.11 1.61 0.08 0.45 0.90 117.98 125.78 1xsc s PHE 31 Ca -0.06 0.94 -0.23 0.00 0.12 0.00 0.00 56.93 57.69 1xsc s PHE 31 Cb -0.14 -2.31 -0.07 0.00 -0.57 0.00 0.00 43.02 39.93 1xsc s PHE 31 CO -0.02 0.21 0.71 -1.17 -0.10 0.00 0.00 175.22 174.85 1xsc s LEU 32 N -2.94 4.54 -0.02 -0.37 2.96 -0.72 -2.04 118.68 120.09 1xsc s LEU 32 Ca 0.49 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1xsc s LEU 32 Cb -0.11 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.45 1xsc s LEU 32 CO 0.21 0.18 0.01 -0.76 -1.32 0.00 0.00 176.35 174.67 1xsc s LEU 33 N -0.85 1.36 -0.45 -0.68 1.43 -0.07 -4.55 118.68 114.87 1xsc s LEU 33 Ca 0.34 0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1xsc s LEU 33 Cb -0.21 -0.11 0.12 0.00 0.03 0.00 0.00 46.19 46.01 1xsc s LEU 33 CO 0.23 -0.08 0.30 -0.76 0.23 0.00 0.00 176.35 176.27 1xsc s LEU 34 N 0.75 5.53 0.23 1.79 1.43 -1.18 -0.12 118.68 127.12 1xsc s LEU 34 Ca -0.07 -1.94 -0.32 0.00 -1.03 0.00 0.00 54.13 50.78 1xsc s LEU 34 Cb -0.10 -1.95 -0.13 0.00 0.03 0.00 0.00 46.19 44.04 1xsc s LEU 34 CO -0.02 -0.64 1.45 1.67 0.23 0.00 0.00 176.35 179.04 1xsc n GLN 35 N 4.80 2.08 -1.87 1.70 7.27 0.32 -3.05 117.38 128.63 1xsc n GLN 35 Ca -0.06 0.74 -0.41 0.00 0.07 0.00 0.00 57.00 57.34 1xsc n GLN 35 Cb 0.41 -2.43 -0.01 0.00 2.41 0.00 0.00 30.24 30.62 1xsc n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsc s ALA 36 N 0.11 3.65 -2.00 1.69 0.00 0.27 -2.59 121.76 122.89 1xsc s ALA 36 Ca 0.70 1.49 0.16 0.00 0.00 0.00 0.00 51.96 54.31 1xsc s ALA 36 Cb -0.65 -3.60 0.96 0.00 0.00 0.00 0.00 23.12 19.83 1xsc s ALA 36 CO 0.48 -0.92 1.37 -1.13 0.00 0.00 0.00 175.76 175.56 1xsc n SER 37 N 1.60 0.00 -0.52 0.00 3.41 -0.98 -4.52 113.62 112.61 1xsc n SER 37 Ca 0.05 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1xsc n SER 37 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1xsc n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsc n ASP 38 N -0.97 0.00 0.00 4.04 -0.08 -1.26 -4.85 116.55 113.43 1xsc n ASP 38 Ca 0.12 -0.52 0.00 0.00 -1.51 0.00 0.00 54.79 52.88 1xsc n ASP 38 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsc n GLY 39 N 0.00 1.44 0.94 0.27 0.00 -1.26 -2.96 105.19 103.61 1xsc n GLY 39 Ca 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 0.59 -3.45 -0.61 -5.35 -1.26 -4.92 119.36 104.36 1xsc n ILE 40 Ca 0.00 -0.65 -0.20 0.00 -0.27 0.00 0.00 62.75 61.63 1xsc n ILE 40 Cb 0.00 0.46 0.08 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.00 -2.46 -3.39 4.28 8.25 -1.16 -4.98 115.22 116.76 1xsc n HIS 41 Ca 0.18 0.91 -0.37 0.00 -0.26 0.00 0.00 57.72 58.18 1xsc n HIS 41 Cb 0.45 -4.73 -0.06 0.00 1.12 0.00 0.00 29.99 26.78 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 -3.30 3.68 -0.20 4.41 -3.43 -1.26 -4.68 115.29 110.51 1xsc s HIS 42 Ca 0.39 1.07 -0.09 0.00 -0.80 0.00 0.00 55.06 55.63 1xsc s HIS 42 Cb -0.17 -2.36 -0.05 0.00 -1.43 0.00 0.00 32.58 28.57 1xsc s HIS 42 CO 0.67 0.53 0.11 -1.58 -2.00 0.00 0.00 174.74 172.46 1xsc s TRP 43 N -1.28 3.32 -0.00 0.38 0.52 -1.26 -0.56 118.94 120.05 1xsc s TRP 43 Ca 0.32 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.63 1xsc s TRP 43 Cb -0.16 -2.16 -0.00 0.00 -1.15 0.00 0.00 33.47 30.00 1xsc s TRP 43 CO 0.18 0.17 -0.03 0.95 0.02 0.00 0.00 176.95 178.23 1xsc s THR 44 N 0.56 0.25 1.04 2.01 -4.23 -1.17 -4.29 115.64 109.81 1xsc s THR 44 Ca 0.06 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1xsc s THR 44 Cb -0.12 -0.22 0.16 0.00 1.34 0.00 0.00 72.50 73.65 1xsc s THR 44 CO 0.00 0.08 0.74 -2.65 -0.54 0.00 0.00 174.62 172.25 1xsc n PRO 45 N 3.07 -1.22 -1.59 3.99 -0.02 -1.26 -3.07 135.00 134.89 1xsc n PRO 45 Ca -0.13 -0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 60.89 1xsc n PRO 45 Cb 0.58 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xsc s PRO 46 N -4.13 1.28 0.12 0.52 0.02 -1.26 -4.80 135.00 126.75 1xsc s PRO 46 Ca 0.63 -0.12 0.02 0.00 0.02 0.00 0.00 61.00 61.55 1xsc s PRO 46 Cb -0.21 -4.91 -0.04 0.00 0.02 0.00 0.00 34.50 29.36 1xsc s PRO 46 CO 0.64 -5.20 0.24 -1.59 -0.33 0.00 0.00 177.00 170.76 1xsc s LYS 47 N 8.63 3.39 0.00 5.54 -2.85 -1.26 -3.03 119.74 130.17 1xsc s LYS 47 Ca 0.85 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 1xsc s LYS 47 Cb -0.08 -2.97 0.00 0.00 -2.06 0.00 0.00 37.83 32.73 1xsc s LYS 47 CO 0.15 0.55 0.00 0.41 0.10 0.00 0.00 175.35 176.56 1xsc n GLY 48 N -0.22 5.35 2.94 0.59 0.00 -0.35 -4.92 105.19 108.59 1xsc n GLY 48 Ca -0.06 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1xsc n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsc s HIS 49 N 0.08 2.47 0.02 1.61 2.46 -1.26 -2.71 115.29 117.96 1xsc s HIS 49 Ca 0.00 -1.83 -0.27 0.00 0.47 0.00 0.00 55.06 53.43 1xsc s HIS 49 Cb 0.00 -1.65 -0.05 0.00 -0.13 0.00 0.00 32.58 30.75 1xsc s HIS 49 CO 0.00 -0.79 0.84 0.54 -2.47 0.00 0.00 174.74 172.86 1xsc s VAL 50 N 1.37 4.79 0.19 0.89 0.11 -0.62 -4.93 120.40 122.20 1xsc s VAL 50 Ca -0.05 1.77 -0.04 0.00 -2.93 0.00 0.00 61.98 60.73 1xsc s VAL 50 Cb -0.19 -4.18 -0.05 0.00 -1.53 0.00 0.00 36.38 30.43 1xsc s VAL 50 CO -0.07 0.29 0.42 -0.70 -3.33 0.00 0.00 175.10 171.71 1xsc s GLU 51 N 0.37 3.60 0.51 1.54 2.12 -1.26 -4.50 118.70 121.09 1xsc s GLU 51 Ca 0.43 -0.13 0.31 0.00 0.36 0.00 0.00 54.97 55.95 1xsc s GLU 51 Cb -0.21 -2.80 1.44 0.00 0.26 0.00 0.00 34.13 32.83 1xsc s GLU 51 CO 0.24 0.39 1.83 -1.00 -0.54 0.00 0.00 175.26 176.18 1xsc h PRO 52 N 2.36 0.08 0.00 4.30 0.13 -1.98 0.51 132.00 137.40 1xsc h PRO 52 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xsc h PRO 52 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xsc h PRO 52 CO 0.70 0.05 -0.80 0.41 -0.23 0.00 0.00 178.00 178.13 1xsc n GLY 53 N -1.69 -1.13 3.91 1.56 0.00 -1.26 -4.93 105.19 101.64 1xsc n GLY 53 Ca 0.23 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.03 3.58 0.68 1.61 2.12 0.18 -5.07 118.70 118.76 1xsc s GLU 54 Ca 0.09 0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.45 1xsc s GLU 54 Cb 0.16 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.10 1xsc s GLU 54 CO 0.79 -0.09 1.05 0.34 -0.54 0.00 0.00 175.26 176.81 1xsc s ASP 55 N -3.87 5.62 -0.04 -1.70 3.68 -1.26 -4.61 116.67 114.49 1xsc s ASP 55 Ca 0.47 1.52 -0.10 0.00 2.13 0.00 0.00 52.55 56.57 1xsc s ASP 55 Cb -0.10 -2.45 -0.05 0.00 -1.45 0.00 0.00 42.92 38.86 1xsc s ASP 55 CO 0.40 -1.28 0.45 0.44 0.13 0.00 0.00 175.17 175.32 1xsc h ASP 56 N -0.60 -0.30 -0.72 -0.34 3.32 -1.98 -3.08 116.42 112.72 1xsc h ASP 56 Ca -0.44 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1xsc h ASP 56 Cb 1.21 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 1xsc h ASP 56 CO 0.59 0.08 0.41 0.25 -1.72 0.00 0.00 179.24 178.85 1xsc h LEU 57 N -0.95 0.90 -0.66 1.55 5.85 -1.98 -2.71 115.31 117.32 1xsc h LEU 57 Ca -0.04 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1xsc h LEU 57 Cb 0.27 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.97 1xsc h LEU 57 CO 0.06 0.72 0.12 -0.33 -0.34 0.00 0.00 178.44 178.67 1xsc h GLU 58 N 0.99 0.22 -0.82 1.25 5.08 -1.98 0.83 114.58 120.16 1xsc h GLU 58 Ca 0.26 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 1xsc h GLU 58 Cb 0.02 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1xsc h GLU 58 CO -0.04 0.15 0.48 1.15 -1.00 0.00 0.00 179.01 179.75 1xsc h THR 59 N 0.23 0.94 -0.08 1.13 2.02 -1.38 1.20 112.91 116.98 1xsc h THR 59 Ca 0.36 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 1xsc h THR 59 Cb 0.57 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xsc h THR 59 CO -0.47 0.15 -0.56 0.00 0.37 0.00 0.00 175.52 175.00 1xsc h ALA 60 N 1.44 0.90 0.13 6.16 0.00 -0.48 -1.68 119.26 125.74 1xsc h ALA 60 Ca 0.39 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xsc h ALA 60 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xsc h ALA 60 CO -0.23 0.70 -0.06 -0.07 0.00 0.00 0.00 179.25 179.59 1xsc h LEU 61 N 0.18 -0.15 -1.08 0.00 3.38 0.27 -2.47 115.31 115.44 1xsc h LEU 61 Ca -0.00 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1xsc h LEU 61 Cb 1.05 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1xsc h LEU 61 CO 0.09 0.37 0.62 0.03 0.09 0.00 0.00 178.44 179.63 1xsc h ARG 62 N -0.74 1.12 -0.03 1.13 3.08 0.13 0.25 114.38 119.32 1xsc h ARG 62 Ca -0.02 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1xsc h ARG 62 Cb 0.53 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1xsc h ARG 62 CO 0.03 0.74 -0.27 0.00 -1.07 0.00 0.00 179.97 179.40 1xsc h ALA 63 N 1.46 1.51 0.07 0.04 0.00 -1.33 0.40 119.26 121.41 1xsc h ALA 63 Ca 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xsc h ALA 63 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xsc h ALA 63 CO -0.14 0.36 -0.03 1.15 0.00 0.00 0.00 179.25 180.59 1xsc h THR 64 N 0.04 1.09 0.00 0.00 2.02 -0.47 0.52 112.91 116.11 1xsc h THR 64 Ca 0.00 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 1xsc h THR 64 Cb 0.50 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1xsc h THR 64 CO 0.04 0.14 -0.39 0.06 0.37 0.00 0.00 175.52 175.74 1xsc h GLN 65 N -0.35 0.00 0.15 6.66 -0.00 0.11 1.16 115.11 122.84 1xsc h GLN 65 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.35 1xsc h GLN 65 Cb 0.30 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 27.80 1xsc h GLN 65 CO 0.02 0.39 -1.28 0.93 -0.00 0.00 0.00 178.83 178.88 1xsc h GLU 66 N 0.00 0.44 -0.00 0.06 5.08 -0.08 0.17 114.58 120.26 1xsc h GLU 66 Ca -0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1xsc h GLU 66 Cb 1.10 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1xsc h GLU 66 CO 0.05 1.31 -0.69 0.39 -1.00 0.00 0.00 179.01 179.07 1xsc n GLU 67 N -3.67 1.51 0.00 2.33 1.02 0.18 -4.55 120.64 117.47 1xsc n GLU 67 Ca -0.12 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 1xsc n GLU 67 Cb 1.02 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 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 -1.10 0.19 -0.78 0.62 0.00 0.39 -3.80 120.51 116.04 1xsc n ALA 68 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1xsc n ALA 68 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.03 0.53 3.55 0.00 0.00 0.60 -1.25 105.19 108.65 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 -2.59 4.70 0.37 -0.61 1.01 -1.13 -4.73 121.20 118.22 1xsc s ILE 70 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1xsc s ILE 70 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1xsc s ILE 70 CO 0.00 0.37 0.26 -1.83 0.00 0.00 0.00 174.94 173.74 1xsc s GLU 71 N 1.14 2.51 0.57 2.79 -1.05 -1.26 0.87 118.70 124.27 1xsc s GLU 71 Ca 0.05 -1.50 0.32 0.00 -0.15 0.00 0.00 54.97 53.69 1xsc s GLU 71 Cb -0.14 -2.30 1.43 0.00 -0.44 0.00 0.00 34.13 32.67 1xsc s GLU 71 CO 0.04 -0.01 1.76 0.00 0.95 0.00 0.00 175.26 178.00 1xsc h ALA 72 N 1.29 2.73 0.00 -0.84 0.00 -1.89 1.27 119.26 121.82 1xsc h ALA 72 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1xsc h ALA 72 Cb 1.26 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsc h ALA 72 CO 0.61 -1.22 -0.08 0.78 0.00 0.00 0.00 179.25 179.34 1xsc h GLY 73 N 0.00 0.00 0.08 0.00 0.00 -1.99 -3.11 103.07 98.05 1xsc h GLY 73 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1xsc h GLY 73 CO -0.00 0.00 -0.85 -0.18 0.00 0.00 0.00 176.54 175.51 1xsc n GLN 74 N -3.15 0.13 -2.32 4.80 -0.06 0.43 -4.98 117.38 112.24 1xsc n GLN 74 Ca 0.02 -0.11 -0.04 0.00 -2.00 0.00 0.00 57.00 54.88 1xsc n GLN 74 Cb 0.48 -1.50 -0.01 0.00 -4.06 0.00 0.00 30.24 25.15 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsc n LEU 75 N -1.34 0.00 -3.69 1.69 -0.00 -0.67 -2.11 117.00 110.88 1xsc n LEU 75 Ca 0.05 -0.41 -0.29 0.00 -0.00 0.00 0.00 56.01 55.36 1xsc n LEU 75 Cb 0.34 0.10 -0.15 0.00 -0.00 0.00 0.00 43.42 43.71 1xsc n LEU 75 CO 0.40 -0.06 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.51 1xsc s THR 76 N -1.52 0.65 -0.19 1.47 2.01 0.24 -4.79 115.64 113.51 1xsc s THR 76 Ca 0.02 -1.21 -0.29 0.00 0.31 0.00 0.00 61.69 60.52 1xsc s THR 76 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1xsc s THR 76 CO 0.01 -0.66 1.34 -0.63 -0.69 0.00 0.00 174.62 173.99 1xsc s ILE 77 N 1.74 4.13 0.06 1.82 -1.09 -1.26 -0.84 121.20 125.76 1xsc s ILE 77 Ca 0.09 1.34 -0.29 0.00 -2.23 0.00 0.00 60.65 59.56 1xsc s ILE 77 Cb -0.17 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1xsc s ILE 77 CO -0.27 -0.22 0.94 -0.63 -1.23 0.00 0.00 174.94 173.53 1xsc s ILE 78 N 3.91 4.67 0.20 2.92 1.09 0.41 -4.96 121.20 129.44 1xsc s ILE 78 Ca 0.58 2.00 -0.11 0.00 -1.10 0.00 0.00 60.65 62.03 1xsc s ILE 78 Cb -0.22 -4.29 -0.07 0.00 -1.06 0.00 0.00 42.46 36.82 1xsc s ILE 78 CO 0.19 0.26 0.54 -1.61 -0.10 0.00 0.00 174.94 174.22 1xsc s GLU 79 N 0.37 3.83 0.00 2.79 2.02 -1.26 -4.25 118.70 122.21 1xsc s GLU 79 Ca 0.47 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.77 1xsc s GLU 79 Cb -0.22 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1xsc s GLU 79 CO 0.28 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1xsc n GLY 80 N 0.14 2.50 3.56 -1.39 0.00 -1.26 -5.05 105.19 103.70 1xsc n GLY 80 Ca -0.01 0.00 -0.36 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 -2.49 3.19 -0.25 1.61 2.19 -1.26 -5.07 117.98 115.90 1xsc s PHE 81 Ca 0.00 -0.07 -0.13 0.00 0.33 0.00 0.00 56.93 57.06 1xsc s PHE 81 Cb 0.00 -2.21 0.08 0.00 -1.31 0.00 0.00 43.02 39.59 1xsc s PHE 81 CO 0.00 -0.09 0.61 0.21 1.83 0.00 0.00 175.22 177.78 1xsc s LYS 82 N 1.11 0.60 -0.18 10.12 2.20 -1.26 -4.54 119.74 127.80 1xsc s LYS 82 Ca 0.05 1.16 -0.22 0.00 -0.36 0.00 0.00 55.97 56.60 1xsc s LYS 82 Cb -0.14 0.23 0.06 0.00 -1.51 0.00 0.00 37.83 36.46 1xsc s LYS 82 CO 0.04 -0.17 0.60 0.50 -0.36 0.00 0.00 175.35 175.96 1xsc s ARG 83 N 1.83 0.77 0.00 4.03 6.06 -1.22 -5.00 118.95 125.42 1xsc s ARG 83 Ca -0.09 0.65 0.08 0.00 -2.50 0.00 0.00 55.73 53.87 1xsc s ARG 83 Cb -0.07 0.37 -0.02 0.00 0.06 0.00 0.00 34.95 35.29 1xsc s ARG 83 CO -0.18 -0.14 -0.25 -1.83 -2.50 0.00 0.00 175.30 170.40 1xsc s GLU 84 N -0.10 1.93 -0.29 5.12 1.03 -1.25 0.52 118.70 125.66 1xsc s GLU 84 Ca -0.03 -0.95 -0.11 0.00 0.03 0.00 0.00 54.97 53.91 1xsc s GLU 84 Cb -0.04 -1.93 -0.04 0.00 -0.80 0.00 0.00 34.13 31.33 1xsc s GLU 84 CO 0.03 0.52 0.18 -0.51 -1.33 0.00 0.00 175.26 174.15 1xsc s LEU 85 N -0.79 4.03 -0.19 1.83 1.43 0.35 -4.79 118.68 120.56 1xsc s LEU 85 Ca 0.10 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1xsc s LEU 85 Cb -0.10 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1xsc s LEU 85 CO -0.00 -0.10 -0.05 0.20 0.23 0.00 0.00 176.35 176.63 1xsc s ASN 86 N 1.72 4.40 -0.20 2.29 -0.87 -1.25 -0.35 114.94 120.67 1xsc s ASN 86 Ca 0.07 -0.31 -0.28 0.00 -1.57 0.00 0.00 52.86 50.77 1xsc s ASN 86 Cb -0.16 -1.73 0.12 0.00 -0.02 0.00 0.00 41.25 39.45 1xsc s ASN 86 CO 0.09 0.06 0.96 -0.72 -2.57 0.00 0.00 177.10 174.93 1xsc s TYR 87 N 0.98 -0.46 -0.42 2.20 -0.85 -1.13 -4.94 117.35 112.73 1xsc s TYR 87 Ca -0.00 0.94 -0.25 0.00 -0.52 0.00 0.00 57.07 57.25 1xsc s TYR 87 Cb -0.15 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.62 1xsc s TYR 87 CO 0.00 -0.33 0.88 0.54 -1.52 0.00 0.00 175.55 175.13 1xsc s VAL 88 N -0.56 4.56 0.00 -3.49 0.11 -1.26 -0.48 120.40 119.29 1xsc s VAL 88 Ca -0.01 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 1xsc s VAL 88 Cb -0.02 -4.36 0.00 0.00 -1.53 0.00 0.00 36.38 30.47 1xsc s VAL 88 CO -0.00 -0.68 0.00 0.00 -3.33 0.00 0.00 175.10 171.09 1xsc n ALA 89 N 6.89 0.00 -0.30 1.54 0.00 -0.94 -4.68 120.51 123.01 1xsc n ALA 89 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1xsc n ALA 89 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 1.19 0.00 0.00 -0.00 -2.04 -3.42 114.38 110.12 1xsc h ARG 90 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1xsc h ARG 90 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 29.97 29.75 1xsc h ARG 90 CO 0.00 0.91 0.00 -1.71 -0.00 0.00 0.00 179.97 179.17 1xsc n ASN 91 N -4.31 0.00 -3.66 0.08 5.15 -1.26 -5.14 115.26 106.12 1xsc n ASN 91 Ca 0.08 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.00 1xsc n ASN 91 Cb 0.14 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.31 1xsc n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsc s LYS 92 N 0.00 0.52 -0.19 1.20 2.47 -1.26 -5.09 119.74 117.40 1xsc s LYS 92 Ca 0.00 1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 55.27 1xsc s LYS 92 Cb 0.00 0.33 -0.03 0.00 -1.46 0.00 0.00 37.83 36.67 1xsc s LYS 92 CO 0.00 -0.19 1.56 -1.25 0.16 0.00 0.00 175.35 175.63 1xsc s PRO 93 N 2.11 3.93 -0.21 4.03 0.04 -1.26 -2.23 135.00 141.41 1xsc s PRO 93 Ca -0.07 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 1xsc s PRO 93 Cb -0.09 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1xsc s PRO 93 CO -0.17 -1.13 0.14 0.15 0.04 0.00 0.00 177.00 176.04 1xsc s LYS 94 N 4.38 4.15 -0.51 4.56 -0.14 0.37 0.48 119.74 133.03 1xsc s LYS 94 Ca 0.69 -0.23 -0.18 0.00 -1.36 0.00 0.00 55.97 54.88 1xsc s LYS 94 Cb -0.25 -3.46 0.07 0.00 -1.68 0.00 0.00 37.83 32.50 1xsc s LYS 94 CO 0.27 0.22 0.58 0.99 -0.76 0.00 0.00 175.35 176.65 1xsc s THR 95 N 0.59 4.95 -0.40 2.17 2.01 0.29 -2.85 115.64 122.41 1xsc s THR 95 Ca 0.08 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1xsc s THR 95 Cb -0.12 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1xsc s THR 95 CO 0.00 -0.78 0.25 -0.69 -0.69 0.00 0.00 174.62 172.71 1xsc s VAL 96 N 2.40 4.63 0.06 3.82 1.01 0.52 -0.11 120.40 132.74 1xsc s VAL 96 Ca 0.12 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1xsc s VAL 96 Cb -0.21 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1xsc s VAL 96 CO 0.10 -0.34 0.69 -0.63 0.00 0.00 0.00 175.10 174.92 1xsc s ILE 97 N 1.55 4.70 -0.09 2.22 -1.09 -1.11 0.13 121.20 127.52 1xsc s ILE 97 Ca 0.03 1.48 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 1xsc s ILE 97 Cb -0.21 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1xsc s ILE 97 CO 0.06 0.44 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.71 1xsc s TYR 98 N -0.48 2.12 0.10 3.97 2.02 0.18 0.13 117.35 125.39 1xsc s TYR 98 Ca 0.34 -0.85 0.08 0.00 -0.37 0.00 0.00 57.07 56.27 1xsc s TYR 98 Cb -0.20 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1xsc s TYR 98 CO 0.21 -0.37 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.10 1xsc s TRP 99 N 0.48 2.61 -0.08 2.71 0.51 -1.18 -3.46 118.94 120.54 1xsc s TRP 99 Ca -0.17 -0.22 -0.27 0.00 -2.12 0.00 0.00 56.10 53.32 1xsc s TRP 99 Cb -0.17 -1.40 -0.02 0.00 -0.81 0.00 0.00 33.47 31.06 1xsc s TRP 99 CO 0.07 0.37 0.86 -0.51 -0.51 0.00 0.00 176.95 177.23 1xsc s LEU 100 N -2.01 4.28 0.02 2.99 1.43 -1.26 0.77 118.68 124.91 1xsc s LEU 100 Ca 0.18 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 1xsc s LEU 100 Cb -0.11 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1xsc s LEU 100 CO 0.10 -0.28 -0.09 0.00 0.23 0.00 0.00 176.35 176.31 1xsc s ALA 101 N 1.42 0.72 -0.19 4.21 0.00 0.34 0.16 121.76 128.43 1xsc s ALA 101 Ca 0.43 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1xsc s ALA 101 Cb -0.18 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1xsc s ALA 101 CO 0.19 0.11 -0.13 -2.00 0.00 0.00 0.00 175.76 173.93 1xsc s GLU 102 N -0.85 2.29 -0.17 0.00 -6.30 -0.02 0.25 118.70 113.89 1xsc s GLU 102 Ca -0.02 -0.80 -0.29 0.00 -2.50 0.00 0.00 54.97 51.37 1xsc s GLU 102 Cb -0.06 -2.39 -0.01 0.00 0.00 0.00 0.00 34.13 31.67 1xsc s GLU 102 CO 0.00 -0.35 1.17 0.14 0.02 0.00 0.00 175.26 176.25 1xsc s VAL 103 N 1.38 4.42 0.49 3.70 -7.23 -1.25 0.81 120.40 122.73 1xsc s VAL 103 Ca 0.01 1.72 0.36 0.00 -1.81 0.00 0.00 61.98 62.26 1xsc s VAL 103 Cb -0.15 -4.11 0.38 0.00 0.56 0.00 0.00 36.38 33.06 1xsc s VAL 103 CO -0.09 -0.12 2.21 0.07 -0.31 0.00 0.00 175.10 176.85 1xsc h LYS 104 N 7.82 0.00 -4.93 4.82 2.10 -1.75 -3.41 116.57 121.22 1xsc h LYS 104 Ca -0.26 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.75 1xsc h LYS 104 Cb 1.10 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.22 1xsc h LYS 104 CO 0.95 0.03 -0.60 -0.51 -2.00 0.00 0.00 179.45 177.32 1xsc s ASP 105 N -5.69 5.31 0.15 7.07 1.01 -1.26 -4.98 116.67 118.28 1xsc s ASP 105 Ca -0.03 -0.18 -0.14 0.00 0.71 0.00 0.00 52.55 52.90 1xsc s ASP 105 Cb 0.13 -1.96 0.02 0.00 1.01 0.00 0.00 42.92 42.12 1xsc s ASP 105 CO 0.50 -0.04 1.68 0.22 0.21 0.00 0.00 175.17 177.74 1xsc h TYR 106 N 8.27 0.75 -0.51 4.23 5.03 -2.00 -2.08 116.97 130.65 1xsc h TYR 106 Ca -0.37 -0.07 -0.05 0.00 2.58 0.00 0.00 58.73 60.82 1xsc h TYR 106 Cb 1.18 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 39.21 1xsc h TYR 106 CO 0.69 0.65 0.07 -0.25 -1.32 0.00 0.00 178.16 177.99 1xsc n ASP 107 N -4.55 4.72 -4.36 -2.11 10.43 -1.26 -5.00 116.55 114.43 1xsc n ASP 107 Ca 0.01 -2.83 -0.42 0.00 2.57 0.00 0.00 54.79 54.12 1xsc n ASP 107 Cb 0.17 -0.67 -0.00 0.00 1.84 0.00 0.00 41.12 42.46 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsc n VAL 108 N 0.34 1.15 -1.87 2.53 3.14 -0.78 -4.83 118.33 118.00 1xsc n VAL 108 Ca 0.26 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.74 1xsc n VAL 108 Cb 1.08 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.67 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 -1.21 3.99 -0.33 1.45 1.03 -1.26 -5.00 118.70 117.38 1xsc s GLU 109 Ca 0.61 2.43 0.02 0.00 0.03 0.00 0.00 54.97 58.06 1xsc s GLU 109 Cb -0.65 -2.86 0.10 0.00 -0.80 0.00 0.00 34.13 29.92 1xsc s GLU 109 CO 0.61 -0.57 0.06 0.42 -1.33 0.00 0.00 175.26 174.44 1xsc s ILE 110 N -1.17 1.81 -0.52 1.83 -1.09 -1.24 -4.29 121.20 116.53 1xsc s ILE 110 Ca 0.55 -2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 56.81 1xsc s ILE 110 Cb -0.44 -2.33 0.11 0.00 -1.58 0.00 0.00 42.46 38.22 1xsc s ILE 110 CO 0.58 -0.60 0.48 -0.13 -1.23 0.00 0.00 174.94 174.04 1xsc s ARG 111 N 1.15 2.99 0.45 2.79 3.00 -0.38 -4.86 118.95 124.09 1xsc s ARG 111 Ca 0.10 -1.57 -0.00 0.00 0.00 0.00 0.00 55.73 54.25 1xsc s ARG 111 Cb -0.18 -4.25 -0.01 0.00 0.00 0.00 0.00 34.95 30.51 1xsc s ARG 111 CO -0.13 -1.25 0.68 -0.51 0.00 0.00 0.00 175.30 174.08 1xsc s LEU 112 N 1.68 3.66 0.00 2.53 1.43 -1.25 -1.36 118.68 125.37 1xsc s LEU 112 Ca 0.04 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1xsc s LEU 112 Cb -0.28 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1xsc s LEU 112 CO 0.04 -0.68 0.00 -0.24 0.23 0.00 0.00 176.35 175.71 1xsc n SER 113 N -2.08 1.74 0.27 2.29 2.88 -1.26 -4.96 113.62 112.49 1xsc n SER 113 Ca 0.01 -0.89 0.18 0.00 -1.33 0.00 0.00 58.87 56.84 1xsc n SER 113 Cb 0.57 0.00 0.87 0.00 -0.75 0.00 0.00 64.21 64.90 1xsc n SER 113 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1xsc h HIS 114 N 0.78 0.00 0.00 0.66 3.86 -2.00 -1.31 115.15 117.14 1xsc h HIS 114 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xsc h HIS 114 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xsc h HIS 114 CO 0.00 0.00 -0.45 1.49 0.86 0.00 0.00 177.93 179.83 1xsc h GLU 115 N 0.00 0.00 -6.20 2.45 4.57 -1.98 -3.45 114.58 109.97 1xsc h GLU 115 Ca 0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.49 1xsc h GLU 115 Cb 0.21 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 28.49 1xsc h GLU 115 CO 0.00 0.00 -0.89 -1.01 -1.18 0.00 0.00 179.01 175.93 1xsc s HIS 116 N -3.24 2.40 -0.06 0.92 3.76 -0.49 -2.32 115.29 116.27 1xsc s HIS 116 Ca 0.05 -0.64 0.11 0.00 -0.15 0.00 0.00 55.06 54.44 1xsc s HIS 116 Cb 0.09 -1.57 -0.17 0.00 1.11 0.00 0.00 32.58 32.05 1xsc s HIS 116 CO 0.71 -0.16 0.26 0.94 -0.85 0.00 0.00 174.74 175.64 1xsc n GLN 117 N 2.79 0.59 -3.66 1.40 -0.06 -1.07 -4.15 117.38 113.23 1xsc n GLN 117 Ca -0.17 -0.09 -0.05 0.00 -2.00 0.00 0.00 57.00 54.68 1xsc n GLN 117 Cb 0.52 -1.25 -0.02 0.00 -4.06 0.00 0.00 30.24 25.43 1xsc n GLN 117 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xsc s ALA 118 N -2.72 -1.71 0.25 1.69 0.00 -1.23 -5.02 121.76 113.03 1xsc s ALA 118 Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1xsc s ALA 118 Cb 0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1xsc s ALA 118 CO 0.47 -0.91 0.19 1.52 0.00 0.00 0.00 175.76 177.02 1xsc s TYR 119 N -3.25 1.40 0.11 0.00 -0.85 -1.26 0.12 117.35 113.62 1xsc s TYR 119 Ca 0.09 -1.48 -0.25 0.00 -0.52 0.00 0.00 57.07 54.91 1xsc s TYR 119 Cb -0.01 -0.64 0.07 0.00 0.38 0.00 0.00 41.96 41.77 1xsc s TYR 119 CO -0.02 -0.72 0.64 1.03 -1.52 0.00 0.00 175.55 174.96 1xsc s ARG 120 N -3.88 1.20 -0.27 -3.49 0.52 0.83 -4.87 118.95 108.99 1xsc s ARG 120 Ca 0.39 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 1xsc s ARG 120 Cb 0.05 0.56 0.07 0.00 0.52 0.00 0.00 34.95 36.15 1xsc s ARG 120 CO 0.18 -0.50 -0.05 -1.58 0.02 0.00 0.00 175.30 173.37 1xsc s TRP 121 N -3.27 3.07 0.28 -0.53 0.52 -1.26 -0.90 118.94 116.85 1xsc s TRP 121 Ca -0.01 -2.29 0.02 0.00 0.02 0.00 0.00 56.10 53.84 1xsc s TRP 121 Cb -0.01 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1xsc s TRP 121 CO -0.09 -0.87 0.14 -0.51 0.02 0.00 0.00 176.95 175.64 1xsc s LEU 122 N 1.16 1.62 0.00 2.99 1.02 -0.87 -4.88 118.68 119.72 1xsc s LEU 122 Ca -0.03 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.63 1xsc s LEU 122 Cb -0.19 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.17 1xsc s LEU 122 CO -0.07 -0.83 0.00 0.61 0.02 0.00 0.00 176.35 176.08 1xsc n GLY 123 N -0.52 0.67 0.11 -3.19 0.00 -1.26 0.17 105.19 101.16 1xsc n GLY 123 Ca 0.01 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.35 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 0.36 0.04 0.99 5.85 -1.92 -1.97 115.31 118.66 1xsc h LEU 124 Ca 0.00 -0.84 0.01 0.00 0.84 0.00 0.00 57.88 57.89 1xsc h LEU 124 Cb 0.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1xsc h LEU 124 CO 0.00 1.16 -0.09 1.05 -0.34 0.00 0.00 178.44 180.22 1xsc h GLU 125 N -0.40 -0.17 0.26 1.25 4.11 -1.97 0.13 114.58 117.79 1xsc h GLU 125 Ca -0.07 0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1xsc h GLU 125 Cb 1.26 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1xsc h GLU 125 CO 0.09 -0.11 -0.13 0.93 0.07 0.00 0.00 179.01 179.86 1xsc h GLU 126 N -0.18 -0.34 -1.01 1.06 3.07 -1.93 0.34 114.58 115.59 1xsc h GLU 126 Ca 0.02 0.02 0.29 0.00 -0.50 0.00 0.00 59.36 59.19 1xsc h GLU 126 Cb 0.20 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 1xsc h GLU 126 CO -0.06 -0.00 0.72 0.00 -1.40 0.00 0.00 179.01 178.26 1xsc h ALA 127 N -0.14 2.83 0.02 3.43 0.00 -1.32 0.83 119.26 124.91 1xsc h ALA 127 Ca -0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1xsc h ALA 127 Cb 0.49 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xsc h ALA 127 CO 0.06 -1.13 -1.30 0.00 0.00 0.00 0.00 179.25 176.88 1xsc h GLN 129 N 0.01 0.78 0.08 0.00 -0.00 0.47 -3.12 115.11 113.33 1xsc h GLN 129 Ca -0.13 -0.16 -0.22 0.00 -0.00 0.00 0.00 58.65 58.13 1xsc h GLN 129 Cb 1.88 -0.11 0.02 0.00 -0.00 0.00 0.00 27.48 29.27 1xsc h GLN 129 CO 0.12 0.72 -0.92 -0.07 -0.00 0.00 0.00 178.83 178.68 1xsc h LEU 130 N 0.68 0.67 -4.60 0.06 3.38 -1.30 -3.31 115.31 110.89 1xsc h LEU 130 Ca 0.16 -0.83 -0.34 0.00 0.09 0.00 0.00 57.88 56.96 1xsc h LEU 130 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xsc h LEU 130 CO -0.01 1.43 1.36 0.00 0.09 0.00 0.00 178.44 181.31 1xsc n ALA 131 N -2.65 5.96 -0.50 1.53 0.00 -0.93 -4.04 120.51 119.88 1xsc n ALA 131 Ca -0.13 -2.16 0.40 0.00 0.00 0.00 0.00 53.44 51.55 1xsc n ALA 131 Cb 0.84 -2.72 0.65 0.00 0.00 0.00 0.00 19.45 18.22 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 3.12 -0.02 -1.66 0.00 0.00 -1.23 -4.00 117.38 113.58 1xsc n GLN 132 Ca 0.49 1.06 -0.43 0.00 0.00 0.00 0.00 57.00 58.13 1xsc n GLN 132 Cb 0.52 -2.21 -0.03 0.00 0.00 0.00 0.00 30.24 28.51 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 -4.21 2.52 -0.18 2.61 3.01 -1.26 -4.88 117.46 115.07 1xsc n PHE 133 Ca 0.37 -0.34 -0.07 0.00 1.01 0.00 0.00 57.45 58.43 1xsc n PHE 133 Cb 1.54 -2.79 -0.01 0.00 -0.01 0.00 0.00 39.48 38.21 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 10.32 -0.20 -0.88 -1.08 3.64 -1.97 -1.85 116.57 124.55 1xsc h LYS 134 Ca -0.50 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1xsc h LYS 134 Cb 1.24 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.96 1xsc h LYS 134 CO 0.94 -0.13 -0.40 0.93 -2.27 0.00 0.00 179.45 178.52 1xsc h GLU 135 N -0.21 -0.05 -0.44 1.90 3.07 -1.90 0.51 114.58 117.47 1xsc h GLU 135 Ca 0.20 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1xsc h GLU 135 Cb 0.55 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1xsc h GLU 135 CO -0.64 -0.03 0.19 0.52 -1.40 0.00 0.00 179.01 177.64 1xsc h MET 136 N -0.05 0.65 -0.87 2.33 2.86 -1.63 -1.43 114.93 116.78 1xsc h MET 136 Ca 0.30 -0.11 0.18 0.00 -2.06 0.00 0.00 59.70 58.01 1xsc h MET 136 Cb 0.57 -0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.01 1xsc h MET 136 CO -0.90 0.59 0.42 0.87 1.06 0.00 0.00 176.91 178.95 1xsc h LYS 137 N 0.57 0.50 -0.23 1.72 6.56 -0.26 0.59 116.57 126.00 1xsc h LYS 137 Ca 0.15 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 1xsc h LYS 137 Cb 0.17 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1xsc h LYS 137 CO -0.01 0.33 -0.12 0.00 -2.06 0.00 0.00 179.45 177.58 1xsc h ALA 138 N 1.64 0.33 -0.83 3.86 0.00 -0.80 0.50 119.26 123.95 1xsc h ALA 138 Ca 0.51 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1xsc h ALA 138 Cb 0.87 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1xsc h ALA 138 CO -0.45 0.19 0.44 0.00 0.00 0.00 0.00 179.25 179.43 1xsc h ALA 139 N 0.71 1.23 0.00 0.00 0.00 0.11 0.16 119.26 121.48 1xsc h ALA 139 Ca 0.05 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1xsc h ALA 139 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xsc h ALA 139 CO 0.04 -0.04 -1.05 -0.07 0.00 0.00 0.00 179.25 178.13 1xsc h LEU 140 N 0.66 0.00 0.14 0.00 3.38 -0.91 -2.65 115.31 115.94 1xsc h LEU 140 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1xsc h LEU 140 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xsc h LEU 140 CO -0.33 0.92 -0.07 1.56 0.09 0.00 0.00 178.44 180.62 1xsc h GLN 141 N 0.00 -0.18 0.00 1.13 1.08 0.18 -2.83 115.11 114.48 1xsc h GLN 141 Ca -0.05 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 1xsc h GLN 141 Cb 1.75 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.20 1xsc h GLN 141 CO 0.11 -0.01 -0.59 0.93 -0.95 0.00 0.00 178.83 178.32 1xsc h GLU 142 N -0.33 0.00 -0.65 1.46 4.39 -0.89 -2.73 114.58 115.83 1xsc h GLU 142 Ca -0.02 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.78 1xsc h GLU 142 Cb 0.26 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 1xsc h GLU 142 CO 0.03 0.59 0.27 0.78 -1.16 0.00 0.00 179.01 179.53 1xsc h GLY 143 N 1.97 0.94 1.96 -3.84 0.00 -1.27 0.34 103.07 103.17 1xsc h GLY 143 Ca -0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 46.97 1xsc h GLY 143 CO 0.08 0.00 -0.98 0.84 0.00 0.00 0.00 176.54 176.48 1xsc h HIS 144 N 0.47 0.00 0.17 5.60 -0.00 -1.50 -2.93 115.15 116.97 1xsc h HIS 144 Ca 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1xsc h HIS 144 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 1xsc h HIS 144 CO -0.15 0.95 -0.08 0.37 -0.00 0.00 0.00 177.93 179.02 1xsc h GLN 145 N 0.00 -0.23 -0.06 5.26 5.75 -0.96 -1.89 115.11 122.99 1xsc h GLN 145 Ca -0.02 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1xsc h GLN 145 Cb 1.74 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.34 1xsc h GLN 145 CO 0.12 0.11 0.02 0.35 -2.65 0.00 0.00 178.83 176.78 1xsc h PHE 146 N -0.58 0.09 -0.49 3.99 3.04 -0.50 -2.83 116.94 119.66 1xsc h PHE 146 Ca -0.02 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.99 1xsc h PHE 146 Cb 0.44 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1xsc h PHE 146 CO 0.03 0.22 0.33 -0.07 -2.02 0.00 0.00 178.31 176.80 1xsc h LEU 147 N -0.07 0.31 -0.96 0.59 3.38 -1.58 0.13 115.31 117.10 1xsc h LEU 147 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsc h LEU 147 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsc h LEU 147 CO -0.00 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1xsc n SER 149 N -2.56 0.78 0.00 0.00 2.88 0.43 -4.87 113.62 110.27 1xsc n SER 149 Ca 0.02 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1xsc n SER 149 Cb 0.26 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.14 0.00 0.06 2.46 5.41 -0.87 -5.10 119.36 120.19 1xsc n ILE 150 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 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 -2.64 0.38 4.07 -1.26 -5.10 120.64 116.09 1xsc n GLU 151 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1xsc n GLU 151 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 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 -2.81 -1.33 -0.55 4.31 0.00 -1.26 -5.06 120.51 113.82 1xsc n ALA 152 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1xsc n ALA 152 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39