#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 0.00 -1.91 1.61 -0.04 -1.26 -4.68 135.00 128.72 1xsc n PRO 2 Ca 0.00 0.13 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1xsc n PRO 2 Cb 0.00 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 1xsc n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsc s LEU 3 N -1.78 3.74 -0.41 1.53 1.43 -1.26 -4.90 118.68 117.03 1xsc s LEU 3 Ca 0.00 1.72 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1xsc s LEU 3 Cb 0.00 -3.52 0.25 0.00 0.03 0.00 0.00 46.19 42.95 1xsc s LEU 3 CO 0.00 -1.53 0.61 0.61 0.23 0.00 0.00 176.35 176.27 1xsc n GLY 4 N 5.13 2.26 3.71 -3.19 0.00 -1.26 -5.11 105.19 106.73 1xsc n GLY 4 Ca 0.23 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1xsc n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsc s SER 5 N -1.33 7.13 0.05 1.61 0.01 -1.26 -5.00 113.70 114.91 1xsc s SER 5 Ca 0.34 1.92 -0.30 0.00 1.31 0.00 0.00 55.95 59.23 1xsc s SER 5 Cb 0.19 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1xsc s SER 5 CO -0.14 -0.45 1.06 -0.32 0.41 0.00 0.00 173.24 173.80 1xsc s MET 6 N 1.20 4.54 0.88 12.44 1.75 -1.26 -4.80 119.30 134.05 1xsc s MET 6 Ca 0.57 1.56 -0.12 0.00 -1.25 0.00 0.00 55.69 56.46 1xsc s MET 6 Cb -0.27 -3.40 0.11 0.00 2.84 0.00 0.00 34.83 34.11 1xsc s MET 6 CO 0.28 -0.07 1.06 0.00 -0.65 0.00 0.00 175.02 175.64 1xsc n ALA 7 N 3.63 -0.76 -2.46 4.11 0.00 -1.26 -4.75 120.51 119.02 1xsc n ALA 7 Ca 0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 1xsc n ALA 7 Cb 0.49 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.66 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 -5.41 2.61 -0.24 0.00 1.02 -1.26 -5.01 118.68 110.39 1xsc s LEU 8 Ca 0.68 -0.45 -0.29 0.00 0.02 0.00 0.00 54.13 54.09 1xsc s LEU 8 Cb -0.25 -1.52 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1xsc s LEU 8 CO 0.56 0.24 1.11 -0.60 0.02 0.00 0.00 176.35 177.68 1xsc s ARG 9 N -1.56 4.19 0.29 1.70 3.52 -1.26 -1.04 118.95 124.79 1xsc s ARG 9 Ca 0.15 1.35 0.05 0.00 -0.13 0.00 0.00 55.73 57.15 1xsc s ARG 9 Cb -0.10 -3.70 -0.06 0.00 -1.56 0.00 0.00 34.95 29.53 1xsc s ARG 9 CO 0.06 -0.73 -0.01 0.00 -0.81 0.00 0.00 175.30 173.80 1xsc s ALA 10 N 3.43 2.27 -0.28 6.12 0.00 0.51 -0.65 121.76 133.15 1xsc s ALA 10 Ca 0.47 -1.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1xsc s ALA 10 Cb -0.16 0.39 0.11 0.00 0.00 0.00 0.00 23.12 23.46 1xsc s ALA 10 CO 0.11 -0.18 0.64 0.00 0.00 0.00 0.00 175.76 176.33 1xsc s GLY 12 N 2.39 2.60 -0.16 0.00 0.00 0.14 -0.21 107.32 112.08 1xsc s GLY 12 Ca -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1xsc s GLY 12 CO -0.19 -2.10 -0.12 -2.27 0.00 0.00 0.00 173.10 168.42 1xsc s LEU 13 N -3.73 1.78 -0.91 0.66 0.20 -1.19 -3.08 118.68 112.41 1xsc s LEU 13 Ca 0.29 -0.59 -0.21 0.00 0.69 0.00 0.00 54.13 54.31 1xsc s LEU 13 Cb 0.08 -1.14 0.10 0.00 -0.43 0.00 0.00 46.19 44.80 1xsc s LEU 13 CO 0.15 -0.10 1.20 -0.63 -0.29 0.00 0.00 176.35 176.68 1xsc s ILE 14 N 1.50 4.40 0.30 6.68 1.01 0.23 -4.42 121.20 130.91 1xsc s ILE 14 Ca 0.03 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 1xsc s ILE 14 Cb -0.14 -4.85 -0.09 0.00 0.01 0.00 0.00 42.46 37.38 1xsc s ILE 14 CO -0.10 -1.64 0.97 -0.63 0.00 0.00 0.00 174.94 173.55 1xsc s ILE 15 N 3.64 4.04 -0.11 2.92 1.01 -1.25 -0.62 121.20 130.83 1xsc s ILE 15 Ca 0.35 1.81 -0.04 0.00 0.00 0.00 0.00 60.65 62.77 1xsc s ILE 15 Cb -0.05 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 38.41 1xsc s ILE 15 CO -0.06 0.25 0.22 0.72 0.00 0.00 0.00 174.94 176.07 1xsc s PHE 16 N -1.45 -0.32 -0.40 3.97 -0.71 0.89 -1.94 117.98 118.03 1xsc s PHE 16 Ca 0.48 0.81 -0.28 0.00 -1.04 0.00 0.00 56.93 56.90 1xsc s PHE 16 Cb -0.23 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.50 1xsc s PHE 16 CO 0.28 -0.31 1.06 0.50 -1.34 0.00 0.00 175.22 175.42 1xsc s ARG 17 N 2.22 3.87 -0.20 1.99 6.06 0.14 -3.82 118.95 129.21 1xsc s ARG 17 Ca 0.00 0.75 -0.16 0.00 -2.50 0.00 0.00 55.73 53.82 1xsc s ARG 17 Cb -0.12 -3.82 -0.04 0.00 0.06 0.00 0.00 34.95 31.03 1xsc s ARG 17 CO -0.07 -1.11 0.41 0.50 -2.50 0.00 0.00 175.30 172.52 1xsc s ARG 18 N 3.93 4.18 0.29 5.12 6.06 -1.26 -3.08 118.95 134.19 1xsc s ARG 18 Ca 0.45 0.22 -0.02 0.00 -2.50 0.00 0.00 55.73 53.88 1xsc s ARG 18 Cb -0.10 -3.54 -0.04 0.00 0.06 0.00 0.00 34.95 31.33 1xsc s ARG 18 CO 0.23 -0.04 0.51 0.00 -2.50 0.00 0.00 175.30 173.50 1xsc n LEU 20 N -1.25 0.05 -4.66 0.00 7.94 -1.26 -4.85 117.00 112.96 1xsc n LEU 20 Ca -0.04 0.45 -0.28 0.00 -1.11 0.00 0.00 56.01 55.03 1xsc n LEU 20 Cb 0.55 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.42 1xsc n LEU 20 CO 0.48 0.00 -0.34 0.27 -1.11 0.00 0.00 177.39 176.69 1xsc s ILE 21 N -0.89 3.80 0.83 1.96 -5.25 -1.26 -5.11 121.20 115.27 1xsc s ILE 21 Ca 0.00 -1.23 -0.13 0.00 -0.99 0.00 0.00 60.65 58.31 1xsc s ILE 21 Cb 0.00 -2.85 0.10 0.00 2.95 0.00 0.00 42.46 42.66 1xsc s ILE 21 CO 0.00 0.01 1.20 -2.84 -1.79 0.00 0.00 174.94 171.52 1xsc s PRO 22 N -2.59 1.49 0.00 0.37 0.02 -1.26 -5.02 135.00 128.00 1xsc s PRO 22 Ca 0.26 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1xsc s PRO 22 Cb -0.10 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1xsc s PRO 22 CO 0.18 -2.32 0.00 1.63 -0.33 0.00 0.00 177.00 176.16 1xsc n LYS 23 N -3.49 0.00 -0.22 5.54 4.01 -1.26 -4.86 118.16 117.88 1xsc n LYS 23 Ca 0.13 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 58.01 1xsc n LYS 23 Cb 0.51 -0.04 0.20 0.00 -0.51 0.00 0.00 35.03 35.18 1xsc n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsc n VAL 24 N -1.48 0.96 -2.22 -0.18 0.31 -1.26 -4.95 118.33 109.50 1xsc n VAL 24 Ca 0.00 -0.98 -0.21 0.00 -0.01 0.00 0.00 64.34 63.14 1xsc n VAL 24 Cb 0.00 0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 1xsc n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsc n ASP 25 N 0.84 -5.83 -0.07 4.52 9.92 -1.26 -4.84 116.55 119.83 1xsc n ASP 25 Ca 0.15 0.10 -0.08 0.00 -0.53 0.00 0.00 54.79 54.43 1xsc n ASP 25 Cb 0.48 -4.91 -0.09 0.00 -0.64 0.00 0.00 41.12 35.96 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1xsc n ASN 26 N -1.85 2.12 -3.50 -2.24 5.15 -1.26 -5.01 115.26 108.67 1xsc n ASN 26 Ca -0.24 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1xsc n ASN 26 Cb 0.69 0.48 -0.04 0.00 -0.53 0.00 0.00 39.78 40.37 1xsc n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xsc s ASN 27 N -4.90 -0.79 -0.16 1.20 4.22 -1.26 -5.05 114.94 108.20 1xsc s ASN 27 Ca -0.11 1.09 0.04 0.00 -2.14 0.00 0.00 52.86 51.73 1xsc s ASN 27 Cb 0.04 1.88 -0.12 0.00 1.28 0.00 0.00 41.25 44.33 1xsc s ASN 27 CO 0.48 -0.15 -0.11 0.00 -2.04 0.00 0.00 177.10 175.28 1xsc n ALA 28 N 5.11 1.64 -2.44 3.54 0.00 -1.26 -4.80 120.51 122.30 1xsc n ALA 28 Ca -0.10 -0.77 -0.32 0.00 0.00 0.00 0.00 53.44 52.25 1xsc n ALA 28 Cb 0.51 0.07 -0.14 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 -2.34 2.78 0.01 0.00 1.01 -1.26 -3.67 121.20 117.73 1xsc s ILE 29 Ca -0.19 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.56 1xsc s ILE 29 Cb 0.05 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1xsc s ILE 29 CO 0.43 0.51 -0.15 -1.61 0.00 0.00 0.00 174.94 174.12 1xsc s GLU 30 N -0.93 1.13 -0.01 2.79 8.01 -1.18 -4.22 118.70 124.29 1xsc s GLU 30 Ca 0.12 -0.61 -0.01 0.00 0.01 0.00 0.00 54.97 54.48 1xsc s GLU 30 Cb -0.10 -1.12 -0.04 0.00 -4.31 0.00 0.00 34.13 28.56 1xsc s GLU 30 CO 0.02 0.30 0.10 -0.06 0.01 0.00 0.00 175.26 175.62 1xsc s PHE 31 N -0.50 3.34 0.15 1.61 0.08 0.35 0.28 117.98 123.29 1xsc s PHE 31 Ca 0.05 0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.04 1xsc s PHE 31 Cb -0.06 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.56 1xsc s PHE 31 CO 0.00 0.57 1.02 -1.17 -0.10 0.00 0.00 175.22 175.54 1xsc s LEU 32 N -1.75 4.50 0.03 -0.37 2.96 -0.82 -2.79 118.68 120.44 1xsc s LEU 32 Ca 0.23 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 56.09 1xsc s LEU 32 Cb -0.12 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 1xsc s LEU 32 CO 0.14 -0.11 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.21 1xsc s LEU 33 N -0.21 2.15 -0.22 -0.68 1.43 -0.19 -4.51 118.68 116.45 1xsc s LEU 33 Ca 0.48 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1xsc s LEU 33 Cb -0.26 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.68 1xsc s LEU 33 CO 0.32 -0.04 -0.11 -0.76 0.23 0.00 0.00 176.35 175.99 1xsc s LEU 34 N -0.96 2.56 0.42 1.79 1.43 0.73 -0.45 118.68 124.20 1xsc s LEU 34 Ca -0.03 -1.02 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 1xsc s LEU 34 Cb -0.07 -1.32 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 1xsc s LEU 34 CO 0.00 -0.15 1.01 -1.58 0.23 0.00 0.00 176.35 175.86 1xsc s GLN 35 N 1.32 4.13 0.54 1.70 0.74 0.21 -1.26 119.66 127.03 1xsc s GLN 35 Ca -0.03 1.37 -0.19 0.00 0.05 0.00 0.00 55.36 56.56 1xsc s GLN 35 Cb -0.17 -2.38 -0.06 0.00 1.10 0.00 0.00 33.01 31.50 1xsc s GLN 35 CO -0.08 -0.15 1.11 0.00 -0.55 0.00 0.00 175.29 175.62 1xsc s ALA 36 N -1.84 2.73 -2.11 1.58 0.00 -0.54 -2.59 121.76 118.99 1xsc s ALA 36 Ca 0.60 0.75 0.26 0.00 0.00 0.00 0.00 51.96 53.58 1xsc s ALA 36 Cb -0.17 -3.33 1.43 0.00 0.00 0.00 0.00 23.12 21.04 1xsc s ALA 36 CO 0.22 -0.69 1.94 -1.13 0.00 0.00 0.00 175.76 176.10 1xsc n SER 37 N -1.30 0.41 -0.63 0.00 3.41 -1.24 -4.50 113.62 109.77 1xsc n SER 37 Ca 0.11 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1xsc n SER 37 Cb 0.51 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 -0.62 0.00 0.00 4.04 4.64 -1.26 -4.95 116.55 118.39 1xsc n ASP 38 Ca 0.20 -0.63 0.00 0.00 -1.38 0.00 0.00 54.79 52.97 1xsc n ASP 38 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xsc n GLY 39 N 0.00 3.19 0.54 0.27 0.00 -1.26 -2.27 105.19 105.67 1xsc n GLY 39 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.78 -0.61 3.06 -1.26 -4.95 119.36 112.82 1xsc n ILE 40 Ca 0.00 -0.28 -0.21 0.00 -2.50 0.00 0.00 62.75 59.76 1xsc n ILE 40 Cb 0.00 0.87 0.02 0.00 0.54 0.00 0.00 39.64 41.07 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 0.21 -1.58 -2.17 9.51 8.25 -0.96 -4.95 115.22 123.53 1xsc n HIS 41 Ca 0.14 0.34 -0.35 0.00 -0.26 0.00 0.00 57.72 57.59 1xsc n HIS 41 Cb 0.44 -4.20 0.01 0.00 1.12 0.00 0.00 29.99 27.36 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 -3.10 2.61 -0.15 4.41 -3.43 -1.26 -4.36 115.29 110.00 1xsc s HIS 42 Ca 0.19 1.54 -0.07 0.00 -0.80 0.00 0.00 55.06 55.92 1xsc s HIS 42 Cb -0.09 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.70 1xsc s HIS 42 CO 0.24 -1.72 0.09 -1.58 -2.00 0.00 0.00 174.74 169.78 1xsc s TRP 43 N -1.77 3.39 0.02 0.38 0.52 -1.26 -1.47 118.94 118.76 1xsc s TRP 43 Ca 0.73 0.31 -0.21 0.00 0.02 0.00 0.00 56.10 56.95 1xsc s TRP 43 Cb -0.25 -2.00 0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1xsc s TRP 43 CO 0.29 0.44 0.48 0.95 0.02 0.00 0.00 176.95 179.12 1xsc s THR 44 N -0.32 0.04 0.94 2.01 -4.23 -0.39 -4.43 115.64 109.26 1xsc s THR 44 Ca 0.10 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.15 1xsc s THR 44 Cb -0.12 -0.92 0.16 0.00 1.34 0.00 0.00 72.50 72.96 1xsc s THR 44 CO 0.01 -0.17 1.19 -2.16 -0.54 0.00 0.00 174.62 172.95 1xsc s PRO 45 N -2.12 0.90 -0.96 3.99 0.04 -1.26 -0.19 135.00 135.40 1xsc s PRO 45 Ca -0.07 0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.76 1xsc s PRO 45 Cb -0.01 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1xsc s PRO 45 CO 0.01 -2.31 2.08 -2.14 0.04 0.00 0.00 177.00 174.68 1xsc s PRO 46 N -5.51 2.11 0.00 0.56 0.02 -1.26 -4.85 135.00 126.07 1xsc s PRO 46 Ca 0.67 -0.31 -0.02 0.00 0.02 0.00 0.00 61.00 61.36 1xsc s PRO 46 Cb -0.11 -5.02 -0.04 0.00 0.02 0.00 0.00 34.50 29.35 1xsc s PRO 46 CO 0.53 -4.08 0.19 -1.59 -0.33 0.00 0.00 177.00 171.72 1xsc s LYS 47 N 7.57 3.44 0.14 5.54 -2.85 -1.26 -3.18 119.74 129.14 1xsc s LYS 47 Ca 0.77 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 55.43 1xsc s LYS 47 Cb -0.07 -3.09 -0.01 0.00 -2.06 0.00 0.00 37.83 32.61 1xsc s LYS 47 CO 0.07 0.66 0.09 0.41 0.10 0.00 0.00 175.35 176.68 1xsc n GLY 48 N 0.84 3.66 3.12 0.59 0.00 0.71 -4.93 105.19 109.18 1xsc n GLY 48 Ca -0.10 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.38 3.57 0.15 1.61 3.76 -1.26 -0.39 115.29 120.35 1xsc s HIS 49 Ca 0.13 -2.43 -0.31 0.00 -0.15 0.00 0.00 55.06 52.29 1xsc s HIS 49 Cb 0.01 -3.23 -0.09 0.00 1.11 0.00 0.00 32.58 30.38 1xsc s HIS 49 CO 0.09 -0.96 1.46 0.54 -0.85 0.00 0.00 174.74 175.01 1xsc s VAL 50 N 1.04 2.99 0.14 -0.90 0.11 0.17 -4.90 120.40 119.06 1xsc s VAL 50 Ca 0.09 0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 59.84 1xsc s VAL 50 Cb -0.23 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 1xsc s VAL 50 CO -0.04 0.06 0.34 -0.70 -3.33 0.00 0.00 175.10 171.43 1xsc s GLU 51 N 0.96 3.55 0.12 1.54 2.12 -1.26 -4.43 118.70 121.30 1xsc s GLU 51 Ca 0.66 -0.24 -0.23 0.00 0.36 0.00 0.00 54.97 55.52 1xsc s GLU 51 Cb -0.40 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1xsc s GLU 51 CO 0.32 0.49 1.39 -2.30 -0.54 0.00 0.00 175.26 174.61 1xsc n PRO 52 N -0.05 -0.33 0.28 4.30 -0.02 -1.26 0.12 135.00 138.04 1xsc n PRO 52 Ca -0.04 1.36 0.19 0.00 -2.02 0.00 0.00 63.50 63.00 1xsc n PRO 52 Cb 0.52 -2.01 0.91 0.00 -0.02 0.00 0.00 33.50 32.90 1xsc n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xsc h GLY 53 N 0.00 0.00 -1.44 -1.23 0.00 -2.03 -3.43 103.07 94.94 1xsc h GLY 53 Ca 0.12 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.95 1xsc h GLY 53 CO -0.70 0.00 0.41 1.85 0.00 0.00 0.00 176.54 178.10 1xsc s GLU 54 N -3.85 3.66 0.62 4.80 2.12 0.32 -5.06 118.70 121.31 1xsc s GLU 54 Ca -0.02 0.79 -0.08 0.00 0.36 0.00 0.00 54.97 56.02 1xsc s GLU 54 Cb 0.11 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 32.40 1xsc s GLU 54 CO 0.43 -0.52 0.97 0.34 -0.54 0.00 0.00 175.26 175.95 1xsc s ASP 55 N -3.96 5.74 -0.02 -1.70 -1.08 -1.26 -4.63 116.67 109.76 1xsc s ASP 55 Ca 0.56 0.99 -0.09 0.00 -0.52 0.00 0.00 52.55 53.50 1xsc s ASP 55 Cb -0.11 -1.98 -0.05 0.00 -1.46 0.00 0.00 42.92 39.33 1xsc s ASP 55 CO 0.50 -1.06 0.54 0.44 0.52 0.00 0.00 175.17 176.11 1xsc h ASP 56 N -0.30 -0.26 -0.62 -0.34 5.19 -1.95 -3.06 116.42 115.07 1xsc h ASP 56 Ca -0.45 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 1xsc h ASP 56 Cb 1.24 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 1xsc h ASP 56 CO 0.62 -0.02 0.30 0.25 -3.12 0.00 0.00 179.24 177.27 1xsc h LEU 57 N -0.64 0.80 -0.74 1.55 5.85 -1.96 -2.79 115.31 117.37 1xsc h LEU 57 Ca -0.03 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.72 1xsc h LEU 57 Cb 0.24 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 1xsc h LEU 57 CO 0.05 0.70 0.18 -0.33 -0.34 0.00 0.00 178.44 178.71 1xsc h GLU 58 N 0.84 0.26 -0.59 1.25 5.08 -1.98 0.98 114.58 120.42 1xsc h GLU 58 Ca 0.21 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 1xsc h GLU 58 Cb 0.11 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1xsc h GLU 58 CO -0.03 0.17 0.28 1.15 -1.00 0.00 0.00 179.01 179.59 1xsc h THR 59 N 0.27 0.89 0.00 1.13 2.02 -1.38 0.90 112.91 116.73 1xsc h THR 59 Ca 0.42 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.32 1xsc h THR 59 Cb 0.72 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1xsc h THR 59 CO -0.51 0.10 -0.47 0.00 0.37 0.00 0.00 175.52 175.01 1xsc h ALA 60 N 1.35 1.12 0.09 6.16 0.00 -0.41 -2.40 119.26 125.17 1xsc h ALA 60 Ca 0.28 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xsc h ALA 60 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xsc h ALA 60 CO -0.22 0.58 -0.04 -0.07 0.00 0.00 0.00 179.25 179.50 1xsc h LEU 61 N 0.00 -0.10 -0.41 0.00 3.38 0.31 -2.79 115.31 115.70 1xsc h LEU 61 Ca -0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1xsc h LEU 61 Cb 0.88 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1xsc h LEU 61 CO 0.06 0.49 0.18 -0.09 0.09 0.00 0.00 178.44 179.16 1xsc h ARG 62 N -0.76 0.35 -0.52 1.13 2.43 0.69 -0.89 114.38 116.82 1xsc h ARG 62 Ca -0.01 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1xsc h ARG 62 Cb 0.57 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1xsc h ARG 62 CO 0.02 0.23 0.34 0.00 -1.51 0.00 0.00 179.97 179.06 1xsc h ALA 63 N 1.24 1.87 0.23 2.80 0.00 -1.52 1.03 119.26 124.91 1xsc h ALA 63 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xsc h ALA 63 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xsc h ALA 63 CO -0.16 0.05 -0.11 1.15 0.00 0.00 0.00 179.25 180.18 1xsc h THR 64 N 0.48 0.77 0.00 0.00 2.02 -0.88 0.56 112.91 115.86 1xsc h THR 64 Ca 0.22 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 1xsc h THR 64 Cb 0.26 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1xsc h THR 64 CO -0.06 0.00 -0.28 0.06 0.37 0.00 0.00 175.52 175.62 1xsc h GLN 65 N -0.32 0.00 0.12 6.66 3.07 0.73 0.52 115.11 125.89 1xsc h GLN 65 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.43 1xsc h GLN 65 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.82 1xsc h GLN 65 CO 0.05 0.28 -1.21 0.93 0.09 0.00 0.00 178.83 178.97 1xsc h GLU 66 N 0.00 0.40 0.00 0.06 4.39 0.14 0.18 114.58 119.75 1xsc h GLU 66 Ca -0.00 -0.59 0.00 0.00 0.34 0.00 0.00 59.36 59.11 1xsc h GLU 66 Cb 1.17 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1xsc h GLU 66 CO 0.04 1.25 -1.65 0.39 -1.16 0.00 0.00 179.01 177.88 1xsc n GLU 67 N -3.65 0.66 0.00 2.33 -0.58 0.19 -4.00 120.64 115.60 1xsc n GLU 67 Ca -0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1xsc n GLU 67 Cb 0.99 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 -2.00 1.50 0.00 0.62 0.00 0.18 -3.47 120.51 117.33 1xsc n ALA 68 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xsc n ALA 68 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.96 2.70 3.63 0.00 0.00 0.64 0.13 105.19 113.25 1xsc n GLY 69 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.76 5.23 0.44 -0.61 1.01 -1.17 -4.68 121.20 118.66 1xsc s ILE 70 Ca 0.00 0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.22 1xsc s ILE 70 Cb 0.00 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1xsc s ILE 70 CO 0.00 0.23 0.44 -1.83 0.00 0.00 0.00 174.94 173.78 1xsc s GLU 71 N 1.64 2.53 0.43 2.79 1.03 -1.26 0.50 118.70 126.35 1xsc s GLU 71 Ca 0.14 -1.55 0.22 0.00 0.03 0.00 0.00 54.97 53.80 1xsc s GLU 71 Cb -0.15 -2.42 1.19 0.00 -0.80 0.00 0.00 34.13 31.94 1xsc s GLU 71 CO 0.08 -0.30 1.80 0.00 -1.33 0.00 0.00 175.26 175.51 1xsc h ALA 72 N 0.88 2.39 0.00 -0.84 0.00 -1.89 0.99 119.26 120.79 1xsc h ALA 72 Ca -0.40 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xsc h ALA 72 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xsc h ALA 72 CO 0.54 -0.76 0.00 0.78 0.00 0.00 0.00 179.25 179.82 1xsc h GLY 73 N 0.31 0.00 0.00 0.00 0.00 -1.98 -2.72 103.07 98.68 1xsc h GLY 73 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1xsc h GLY 73 CO -0.21 0.00 -1.05 -1.06 0.00 0.00 0.00 176.54 174.22 1xsc n GLN 74 N -2.47 0.08 -1.88 4.80 1.13 0.33 -4.99 117.38 114.38 1xsc n GLN 74 Ca 0.03 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1xsc n GLN 74 Cb 0.30 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.54 0.00 -3.65 1.08 -0.00 -0.55 -1.75 117.00 110.59 1xsc n LEU 75 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.75 1xsc n LEU 75 Cb 0.34 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.61 1xsc n LEU 75 CO 0.43 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.60 1xsc s THR 76 N -1.27 0.43 -0.30 1.47 2.01 0.30 -4.77 115.64 113.51 1xsc s THR 76 Ca 0.00 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 1xsc s THR 76 Cb 0.00 -1.32 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1xsc s THR 76 CO 0.00 -0.67 1.40 -0.63 -0.69 0.00 0.00 174.62 174.03 1xsc s ILE 77 N 1.85 3.99 0.22 1.82 -1.09 -1.25 -0.89 121.20 125.85 1xsc s ILE 77 Ca 0.09 1.10 -0.30 0.00 -2.23 0.00 0.00 60.65 59.31 1xsc s ILE 77 Cb -0.17 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.58 1xsc s ILE 77 CO -0.29 -0.47 1.00 -0.63 -1.23 0.00 0.00 174.94 173.31 1xsc s ILE 78 N 4.77 3.98 0.13 2.92 1.09 0.32 -4.97 121.20 129.44 1xsc s ILE 78 Ca 0.61 1.90 -0.05 0.00 -1.10 0.00 0.00 60.65 62.00 1xsc s ILE 78 Cb -0.18 -4.21 -0.06 0.00 -1.06 0.00 0.00 42.46 36.95 1xsc s ILE 78 CO 0.26 0.41 0.37 -1.61 -0.10 0.00 0.00 174.94 174.28 1xsc s GLU 79 N -0.96 3.62 0.00 2.79 2.02 -1.26 -4.31 118.70 120.60 1xsc s GLU 79 Ca 0.44 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1xsc s GLU 79 Cb -0.27 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1xsc s GLU 79 CO 0.34 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.51 1xsc n GLY 80 N 0.19 2.99 3.53 -1.39 0.00 -1.26 -5.05 105.19 104.20 1xsc n GLY 80 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.69 3.12 -0.26 1.61 2.19 -1.26 -5.08 117.98 115.61 1xsc s PHE 81 Ca 0.00 -0.20 -0.13 0.00 0.33 0.00 0.00 56.93 56.93 1xsc s PHE 81 Cb 0.00 -2.06 0.08 0.00 -1.31 0.00 0.00 43.02 39.74 1xsc s PHE 81 CO 0.00 -0.04 0.61 0.21 1.83 0.00 0.00 175.22 177.84 1xsc s LYS 82 N 0.63 0.61 -0.16 10.12 2.20 -1.26 -4.62 119.74 127.25 1xsc s LYS 82 Ca 0.01 1.17 -0.14 0.00 -0.36 0.00 0.00 55.97 56.65 1xsc s LYS 82 Cb -0.14 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.46 1xsc s LYS 82 CO 0.02 -0.17 0.42 0.50 -0.36 0.00 0.00 175.35 175.77 1xsc s ARG 83 N 1.85 0.48 -0.15 4.03 6.06 -1.21 -5.00 118.95 125.00 1xsc s ARG 83 Ca -0.09 0.62 0.02 0.00 -2.50 0.00 0.00 55.73 53.78 1xsc s ARG 83 Cb -0.07 0.20 0.01 0.00 0.06 0.00 0.00 34.95 35.16 1xsc s ARG 83 CO -0.18 -0.07 -0.21 -1.83 -2.50 0.00 0.00 175.30 170.51 1xsc s GLU 84 N 0.39 3.02 -0.33 5.12 1.03 -1.25 0.12 118.70 126.80 1xsc s GLU 84 Ca -0.01 -0.84 -0.20 0.00 0.03 0.00 0.00 54.97 53.95 1xsc s GLU 84 Cb -0.04 -2.48 -0.01 0.00 -0.80 0.00 0.00 34.13 30.80 1xsc s GLU 84 CO -0.01 -0.07 0.61 -0.51 -1.33 0.00 0.00 175.26 173.95 1xsc s LEU 85 N 0.95 4.21 -0.11 1.83 1.43 0.34 -4.70 118.68 122.62 1xsc s LEU 85 Ca -0.04 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1xsc s LEU 85 Cb -0.15 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1xsc s LEU 85 CO -0.05 -0.51 -0.19 0.54 0.23 0.00 0.00 176.35 176.37 1xsc s ASN 86 N 1.71 3.55 -0.28 2.29 2.20 -1.22 -0.44 114.94 122.75 1xsc s ASN 86 Ca 0.24 -0.44 -0.24 0.00 -0.94 0.00 0.00 52.86 51.48 1xsc s ASN 86 Cb -0.15 -1.46 0.12 0.00 -2.00 0.00 0.00 41.25 37.76 1xsc s ASN 86 CO 0.13 0.17 0.98 -0.72 -2.94 0.00 0.00 177.10 174.72 1xsc s TYR 87 N 0.29 -0.53 -0.33 1.54 -0.85 -1.21 -4.86 117.35 111.40 1xsc s TYR 87 Ca -0.14 1.28 -0.28 0.00 -0.52 0.00 0.00 57.07 57.41 1xsc s TYR 87 Cb -0.17 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.54 1xsc s TYR 87 CO 0.07 -0.26 1.03 0.54 -1.52 0.00 0.00 175.55 175.41 1xsc s VAL 88 N 0.34 4.54 0.00 -3.49 0.11 -1.26 -2.12 120.40 118.51 1xsc s VAL 88 Ca 0.02 1.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.68 1xsc s VAL 88 Cb -0.05 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.42 1xsc s VAL 88 CO -0.06 -0.47 0.00 0.00 -3.33 0.00 0.00 175.10 171.24 1xsc n ALA 89 N 6.81 0.00 -0.00 1.54 0.00 -0.85 -4.77 120.51 123.24 1xsc n ALA 89 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1xsc n ALA 89 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 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 0.19 0.00 0.00 0.11 -1.98 -3.44 114.38 109.25 1xsc h ARG 90 Ca 0.00 -0.32 -0.03 0.00 0.10 0.00 0.00 59.98 59.72 1xsc h ARG 90 Cb 0.00 0.12 -0.03 0.00 1.11 0.00 0.00 29.97 31.17 1xsc h ARG 90 CO 0.00 1.15 -0.07 -1.71 0.10 0.00 0.00 179.97 179.44 1xsc n ASN 91 N -4.21 -0.26 -3.66 0.08 2.85 -1.26 -5.12 115.26 103.68 1xsc n ASN 91 Ca -0.18 -0.92 -0.07 0.00 -0.11 0.00 0.00 54.58 53.30 1xsc n ASN 91 Cb 0.75 0.08 -0.08 0.00 1.24 0.00 0.00 39.78 41.77 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 0.50 0.49 1.20 2.47 -1.26 -4.70 119.74 118.44 1xsc s LYS 92 Ca 0.00 1.11 -0.08 0.00 -1.56 0.00 0.00 55.97 55.43 1xsc s LYS 92 Cb 0.00 0.29 0.12 0.00 -1.46 0.00 0.00 37.83 36.78 1xsc s LYS 92 CO 0.00 -0.19 0.41 -0.35 0.16 0.00 0.00 175.35 175.38 1xsc n PRO 93 N 4.78 -2.03 -3.27 4.03 -0.04 -1.26 -2.01 135.00 135.20 1xsc n PRO 93 Ca -0.17 -0.66 0.03 0.00 -0.04 0.00 0.00 63.50 62.66 1xsc n PRO 93 Cb 0.54 -0.65 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 1xsc n PRO 93 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1xsc s LYS 94 N -3.94 0.56 -0.65 0.54 2.47 -0.90 -4.09 119.74 113.73 1xsc s LYS 94 Ca 0.27 1.09 -0.23 0.00 -1.56 0.00 0.00 55.97 55.54 1xsc s LYS 94 Cb -0.03 0.62 0.06 0.00 -1.46 0.00 0.00 37.83 37.02 1xsc s LYS 94 CO 0.21 -0.50 1.00 0.99 0.16 0.00 0.00 175.35 177.21 1xsc s THR 95 N 2.87 4.26 -0.40 3.43 2.01 -0.21 -3.32 115.64 124.28 1xsc s THR 95 Ca 0.14 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1xsc s THR 95 Cb -0.14 -4.69 0.04 0.00 0.01 0.00 0.00 72.50 67.72 1xsc s THR 95 CO -0.20 -1.45 0.26 -0.69 -0.69 0.00 0.00 174.62 171.85 1xsc s VAL 96 N 4.24 4.71 -0.18 3.82 1.01 0.42 0.19 120.40 134.61 1xsc s VAL 96 Ca 0.25 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1xsc s VAL 96 Cb -0.15 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1xsc s VAL 96 CO 0.12 -0.35 0.80 -0.63 0.00 0.00 0.00 175.10 175.04 1xsc s ILE 97 N 1.56 4.90 -0.16 2.22 -1.09 -0.99 0.13 121.20 127.76 1xsc s ILE 97 Ca 0.03 1.55 -0.03 0.00 -2.23 0.00 0.00 60.65 59.97 1xsc s ILE 97 Cb -0.21 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1xsc s ILE 97 CO 0.06 0.03 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsc s TYR 98 N 2.19 3.00 0.11 3.97 2.02 0.31 0.28 117.35 129.23 1xsc s TYR 98 Ca 0.36 -0.38 0.08 0.00 -0.37 0.00 0.00 57.07 56.76 1xsc s TYR 98 Cb -0.16 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1xsc s TYR 98 CO 0.11 -0.10 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.26 1xsc s TRP 99 N 0.47 2.60 -0.20 2.71 0.51 -1.18 -3.35 118.94 120.50 1xsc s TRP 99 Ca -0.04 -0.23 -0.27 0.00 -2.12 0.00 0.00 56.10 53.45 1xsc s TRP 99 Cb -0.14 -1.38 -0.00 0.00 -0.81 0.00 0.00 33.47 31.13 1xsc s TRP 99 CO 0.03 0.39 0.91 -0.51 -0.51 0.00 0.00 176.95 177.26 1xsc s LEU 100 N -2.11 4.14 -0.03 2.99 1.43 -1.26 0.78 118.68 124.62 1xsc s LEU 100 Ca 0.19 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1xsc s LEU 100 Cb -0.11 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1xsc s LEU 100 CO 0.11 -0.51 -0.11 0.00 0.23 0.00 0.00 176.35 176.07 1xsc s ALA 101 N 2.61 1.04 -0.24 4.21 0.00 0.21 0.12 121.76 129.71 1xsc s ALA 101 Ca 0.40 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 1xsc s ALA 101 Cb -0.16 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1xsc s ALA 101 CO 0.10 0.17 -0.05 -2.00 0.00 0.00 0.00 175.76 173.98 1xsc s GLU 102 N 0.17 3.09 -0.34 0.00 2.12 -0.07 0.30 118.70 123.97 1xsc s GLU 102 Ca -0.04 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.19 1xsc s GLU 102 Cb -0.09 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1xsc s GLU 102 CO 0.01 -0.31 1.38 0.14 -0.54 0.00 0.00 175.26 175.95 1xsc s VAL 103 N 1.40 3.99 0.59 3.70 -7.23 -1.25 0.11 120.40 121.71 1xsc s VAL 103 Ca 0.03 1.07 0.29 0.00 -1.81 0.00 0.00 61.98 61.56 1xsc s VAL 103 Cb -0.15 -4.13 0.36 0.00 0.56 0.00 0.00 36.38 33.02 1xsc s VAL 103 CO -0.04 -0.58 2.05 0.07 -0.31 0.00 0.00 175.10 176.29 1xsc h LYS 104 N 10.08 0.00 -4.77 4.82 2.10 -1.65 -3.38 116.57 123.77 1xsc h LYS 104 Ca -0.28 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.71 1xsc h LYS 104 Cb 1.11 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.24 1xsc h LYS 104 CO 1.05 0.00 -0.51 0.34 -2.00 0.00 0.00 179.45 178.34 1xsc s ASP 105 N -5.67 5.92 0.19 7.07 3.68 -1.26 -4.96 116.67 121.64 1xsc s ASP 105 Ca -0.05 -0.36 -0.11 0.00 2.13 0.00 0.00 52.55 54.17 1xsc s ASP 105 Cb 0.15 -2.10 0.12 0.00 -1.45 0.00 0.00 42.92 39.64 1xsc s ASP 105 CO 0.55 -0.19 1.80 0.22 0.13 0.00 0.00 175.17 177.69 1xsc h TYR 106 N 8.43 0.96 -0.53 -5.34 5.03 -2.00 -1.16 116.97 122.37 1xsc h TYR 106 Ca -0.32 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 60.90 1xsc h TYR 106 Cb 1.16 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 39.10 1xsc h TYR 106 CO 0.68 0.69 0.07 -3.47 -1.32 0.00 0.00 178.16 174.81 1xsc n ASP 107 N -4.49 4.77 -4.45 -2.11 4.64 -1.26 -4.99 116.55 108.65 1xsc n ASP 107 Ca 0.06 -2.85 -0.44 0.00 -1.38 0.00 0.00 54.79 50.17 1xsc n ASP 107 Cb 0.10 -0.67 -0.01 0.00 -1.04 0.00 0.00 41.12 39.50 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 0.33 1.74 -2.02 5.18 3.14 -0.44 -4.87 118.33 121.38 1xsc n VAL 108 Ca 0.27 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.77 1xsc n VAL 108 Cb 1.10 -0.42 0.01 0.00 -1.06 0.00 0.00 33.84 33.47 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 -1.34 3.50 -0.35 1.45 1.03 -1.26 -5.01 118.70 116.71 1xsc s GLU 109 Ca 0.62 2.02 0.03 0.00 0.03 0.00 0.00 54.97 57.66 1xsc s GLU 109 Cb -0.72 -2.37 0.10 0.00 -0.80 0.00 0.00 34.13 30.35 1xsc s GLU 109 CO 0.59 -0.84 0.09 0.42 -1.33 0.00 0.00 175.26 174.19 1xsc s ILE 110 N -1.41 1.87 -0.48 1.83 -1.09 -1.25 -4.37 121.20 116.30 1xsc s ILE 110 Ca 0.67 -2.18 -0.17 0.00 -2.23 0.00 0.00 60.65 56.73 1xsc s ILE 110 Cb -0.35 -2.38 0.06 0.00 -1.58 0.00 0.00 42.46 38.21 1xsc s ILE 110 CO 0.42 -0.65 0.51 -0.13 -1.23 0.00 0.00 174.94 173.86 1xsc s ARG 111 N 0.96 3.06 -0.27 2.79 0.52 0.35 -4.88 118.95 121.48 1xsc s ARG 111 Ca 0.12 -1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 54.14 1xsc s ARG 111 Cb -0.19 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.13 1xsc s ARG 111 CO -0.12 -1.11 0.20 -0.51 0.02 0.00 0.00 175.30 173.79 1xsc s LEU 112 N 2.17 4.04 0.00 2.53 1.43 -1.23 -1.57 118.68 126.05 1xsc s LEU 112 Ca 0.10 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1xsc s LEU 112 Cb -0.21 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1xsc s LEU 112 CO 0.10 -0.04 0.00 -0.24 0.23 0.00 0.00 176.35 176.40 1xsc n SER 113 N 4.95 0.00 -1.01 2.29 2.88 -1.26 -4.82 113.62 116.66 1xsc n SER 113 Ca -0.14 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.43 1xsc n SER 113 Cb 0.52 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.13 1xsc n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsc n HIS 114 N -0.70 0.78 -0.09 0.66 1.44 -1.26 -3.87 115.22 112.18 1xsc n HIS 114 Ca 0.00 -0.27 -0.15 0.00 -2.01 0.00 0.00 57.72 55.29 1xsc n HIS 114 Cb 0.00 -0.24 -0.07 0.00 0.12 0.00 0.00 29.99 29.79 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 0.25 0.41 -3.68 -1.40 1.02 -1.26 -4.97 120.64 111.00 1xsc n GLU 115 Ca 0.11 0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 1xsc n GLU 115 Cb 0.59 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.68 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 -2.33 3.48 -0.15 -0.32 3.76 -1.25 -3.63 115.29 114.85 1xsc s HIS 116 Ca -0.24 0.50 0.20 0.00 -0.15 0.00 0.00 55.06 55.38 1xsc s HIS 116 Cb 0.07 -2.19 -0.14 0.00 1.11 0.00 0.00 32.58 31.44 1xsc s HIS 116 CO 0.36 0.38 0.78 0.94 -0.85 0.00 0.00 174.74 176.35 1xsc n GLN 117 N 3.13 0.63 -3.70 1.40 -0.06 -1.07 -4.59 117.38 113.12 1xsc n GLN 117 Ca -0.15 0.07 -0.07 0.00 -2.00 0.00 0.00 57.00 54.85 1xsc n GLN 117 Cb 0.53 -1.73 -0.02 0.00 -4.06 0.00 0.00 30.24 24.96 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 -3.20 -1.50 0.27 1.69 0.00 -1.24 -5.02 121.76 112.76 1xsc s ALA 118 Ca -0.04 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.09 1xsc s ALA 118 Cb 0.10 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1xsc s ALA 118 CO 0.83 -0.95 0.20 1.52 0.00 0.00 0.00 175.76 177.36 1xsc s TYR 119 N -3.59 1.50 0.13 0.00 1.13 -1.26 0.66 117.35 115.91 1xsc s TYR 119 Ca 0.09 -1.50 -0.24 0.00 -1.41 0.00 0.00 57.07 54.01 1xsc s TYR 119 Cb -0.03 -0.68 0.07 0.00 -1.10 0.00 0.00 41.96 40.22 1xsc s TYR 119 CO -0.00 -0.72 0.61 1.03 -2.51 0.00 0.00 175.55 173.96 1xsc s ARG 120 N -3.79 1.25 -0.27 -3.49 0.52 0.40 -4.89 118.95 108.67 1xsc s ARG 120 Ca 0.39 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1xsc s ARG 120 Cb 0.05 0.58 0.07 0.00 0.52 0.00 0.00 34.95 36.17 1xsc s ARG 120 CO 0.20 -0.53 -0.04 -1.58 0.02 0.00 0.00 175.30 173.37 1xsc s TRP 121 N -3.37 2.94 0.16 -0.53 0.52 -1.26 -1.03 118.94 116.37 1xsc s TRP 121 Ca -0.01 -2.23 0.00 0.00 0.02 0.00 0.00 56.10 53.89 1xsc s TRP 121 Cb -0.01 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1xsc s TRP 121 CO -0.10 -0.86 0.04 -0.51 0.02 0.00 0.00 176.95 175.54 1xsc s LEU 122 N 1.20 1.91 0.00 2.99 1.02 -1.12 -4.89 118.68 119.79 1xsc s LEU 122 Ca -0.02 -1.21 0.00 0.00 0.02 0.00 0.00 54.13 52.93 1xsc s LEU 122 Cb -0.19 0.12 0.00 0.00 0.02 0.00 0.00 46.19 46.14 1xsc s LEU 122 CO -0.08 -0.66 0.00 0.61 0.02 0.00 0.00 176.35 176.24 1xsc n GLY 123 N -0.19 -0.28 0.15 -3.19 0.00 -1.26 0.13 105.19 100.56 1xsc n GLY 123 Ca -0.05 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 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 0.66 0.23 0.99 5.85 -1.92 -1.82 115.31 119.30 1xsc h LEU 124 Ca 0.00 -0.78 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 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 1.36 -0.11 1.05 -0.34 0.00 0.00 178.44 180.40 1xsc h GLU 125 N 0.03 -0.30 -0.22 1.25 4.11 -1.97 0.80 114.58 118.27 1xsc h GLU 125 Ca -0.11 0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.27 1xsc h GLU 125 Cb 1.51 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 1xsc h GLU 125 CO 0.16 -0.15 -0.15 0.93 0.07 0.00 0.00 179.01 179.87 1xsc h GLU 126 N -0.39 0.49 -0.31 1.06 3.07 -1.92 0.49 114.58 117.07 1xsc h GLU 126 Ca -0.03 -0.23 0.06 0.00 -0.50 0.00 0.00 59.36 58.66 1xsc h GLU 126 Cb 0.30 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1xsc h GLU 126 CO 0.05 0.79 0.21 0.00 -1.40 0.00 0.00 179.01 178.67 1xsc h ALA 127 N 0.69 2.11 0.05 3.43 0.00 -1.31 0.35 119.26 124.58 1xsc h ALA 127 Ca 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1xsc h ALA 127 Cb 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xsc h ALA 127 CO 0.04 -0.18 -1.34 0.00 0.00 0.00 0.00 179.25 177.77 1xsc h GLN 129 N 0.03 0.62 0.01 0.00 -0.00 0.19 -3.15 115.11 112.82 1xsc h GLN 129 Ca -0.15 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.65 58.19 1xsc h GLN 129 Cb 1.92 -0.07 0.01 0.00 -0.00 0.00 0.00 27.48 29.34 1xsc h GLN 129 CO 0.14 0.68 -0.56 -0.07 -0.00 0.00 0.00 178.83 179.02 1xsc h LEU 130 N 0.47 0.48 -4.58 0.06 3.38 -1.15 -3.30 115.31 110.67 1xsc h LEU 130 Ca 0.11 -0.78 -0.43 0.00 0.09 0.00 0.00 57.88 56.88 1xsc h LEU 130 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1xsc h LEU 130 CO 0.01 1.20 1.84 0.00 0.09 0.00 0.00 178.44 181.57 1xsc n ALA 131 N -2.59 6.75 -0.52 1.53 0.00 -0.75 -4.19 120.51 120.75 1xsc n ALA 131 Ca -0.11 -2.61 0.42 0.00 0.00 0.00 0.00 53.44 51.14 1xsc n ALA 131 Cb 0.66 -2.86 0.68 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.65 0.00 10.64 -1.19 -3.81 117.38 124.46 1xsc n GLN 132 Ca 0.59 1.14 -0.47 0.00 -1.83 0.00 0.00 57.00 56.43 1xsc n GLN 132 Cb 0.53 -2.35 -0.05 0.00 -0.86 0.00 0.00 30.24 27.51 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 -4.36 2.26 -0.24 2.61 3.01 -1.26 -4.85 117.46 114.63 1xsc n PHE 133 Ca 0.39 -0.05 -0.00 0.00 1.01 0.00 0.00 57.45 58.80 1xsc n PHE 133 Cb 1.62 -2.68 0.07 0.00 -0.01 0.00 0.00 39.48 38.47 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 10.29 -0.03 -0.51 -1.08 3.64 -1.97 -1.10 116.57 125.81 1xsc h LYS 134 Ca -0.46 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1xsc h LYS 134 Cb 1.27 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1xsc h LYS 134 CO 0.96 -0.02 -0.35 0.93 -2.27 0.00 0.00 179.45 178.69 1xsc h GLU 135 N -0.03 -0.20 -0.36 1.90 3.07 -1.90 -0.11 114.58 116.95 1xsc h GLU 135 Ca 0.32 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1xsc h GLU 135 Cb 0.53 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1xsc h GLU 135 CO -0.73 -0.14 0.10 0.52 -1.40 0.00 0.00 179.01 177.36 1xsc h MET 136 N -0.21 0.56 -0.92 2.33 2.86 -1.54 -0.34 114.93 117.67 1xsc h MET 136 Ca 0.20 -0.13 0.19 0.00 -2.06 0.00 0.00 59.70 57.91 1xsc h MET 136 Cb 0.55 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.02 1xsc h MET 136 CO -0.63 0.59 0.48 0.87 1.06 0.00 0.00 176.91 179.29 1xsc h LYS 137 N 0.42 0.56 -0.07 1.72 1.57 -0.25 0.16 116.57 120.70 1xsc h LYS 137 Ca 0.11 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xsc h LYS 137 Cb 0.27 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xsc h LYS 137 CO -0.00 0.37 -0.10 0.00 -0.57 0.00 0.00 179.45 179.15 1xsc h ALA 138 N 1.65 0.11 -0.84 3.86 0.00 -0.67 0.45 119.26 123.80 1xsc h ALA 138 Ca 0.54 -0.31 0.15 0.00 0.00 0.00 0.00 54.91 55.29 1xsc h ALA 138 Cb 0.91 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 1xsc h ALA 138 CO -0.43 -0.04 0.42 0.00 0.00 0.00 0.00 179.25 179.19 1xsc h ALA 139 N 0.52 1.26 0.04 0.00 0.00 0.51 0.73 119.26 122.31 1xsc h ALA 139 Ca 0.01 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1xsc h ALA 139 Cb 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xsc h ALA 139 CO 0.02 -0.12 -1.04 -0.07 0.00 0.00 0.00 179.25 178.04 1xsc h LEU 140 N 0.59 0.13 0.10 0.00 3.38 -0.72 -2.40 115.31 116.39 1xsc h LEU 140 Ca 0.46 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1xsc h LEU 140 Cb 0.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1xsc h LEU 140 CO -0.38 1.09 -0.05 1.56 0.09 0.00 0.00 178.44 180.75 1xsc h GLN 141 N 0.03 -0.13 0.00 1.13 1.08 0.25 -2.83 115.11 114.64 1xsc h GLN 141 Ca -0.05 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1xsc h GLN 141 Cb 1.78 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.23 1xsc h GLN 141 CO 0.15 0.07 -0.42 0.93 -0.95 0.00 0.00 178.83 178.61 1xsc h GLU 142 N -0.31 0.00 -0.11 1.46 3.07 0.23 -2.58 114.58 116.34 1xsc h GLU 142 Ca -0.01 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1xsc h GLU 142 Cb 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1xsc h GLU 142 CO 0.02 0.42 0.03 0.78 -1.40 0.00 0.00 179.01 178.86 1xsc h GLY 143 N 1.78 0.13 2.00 -3.84 0.00 -1.22 0.11 103.07 102.02 1xsc h GLY 143 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1xsc h GLY 143 CO 0.05 0.01 -0.65 0.84 0.00 0.00 0.00 176.54 176.79 1xsc h HIS 144 N 0.08 0.00 0.15 5.60 -0.00 -1.49 -2.75 115.15 116.74 1xsc h HIS 144 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1xsc h HIS 144 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1xsc h HIS 144 CO -0.11 0.65 -0.07 0.37 -0.00 0.00 0.00 177.93 178.77 1xsc h GLN 145 N 0.00 -0.19 0.29 5.26 5.75 -1.05 -2.50 115.11 122.67 1xsc h GLN 145 Ca -0.01 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1xsc h GLN 145 Cb 1.22 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1xsc h GLN 145 CO 0.08 0.16 -0.14 0.35 -2.65 0.00 0.00 178.83 176.63 1xsc h PHE 146 N -0.57 -0.36 -0.44 3.99 3.04 -0.85 -2.70 116.94 119.05 1xsc h PHE 146 Ca -0.02 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.05 1xsc h PHE 146 Cb 0.44 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1xsc h PHE 146 CO 0.04 -0.15 0.36 -0.07 -2.02 0.00 0.00 178.31 176.47 1xsc h LEU 147 N -0.49 0.00 -0.04 0.59 3.38 -1.58 0.59 115.31 117.76 1xsc h LEU 147 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xsc h LEU 147 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1xsc h LEU 147 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1xsc n SER 149 N -1.65 0.76 0.00 0.00 2.88 0.20 -4.89 113.62 110.93 1xsc n SER 149 Ca 0.06 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1xsc n SER 149 Cb 0.31 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 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 -1.45 0.00 0.00 2.46 5.41 -1.12 -5.10 119.36 119.57 1xsc n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 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 0.03 0.38 2.13 -1.26 -5.09 120.64 116.83 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 -2.19 0.00 -0.56 4.31 0.00 -1.26 -5.16 120.51 115.66 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