#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 -0.31 -0.23 1.61 0.04 -1.26 -4.88 135.00 129.97 1xsc s PRO 2 Ca 0.00 0.00 -0.29 0.00 0.04 0.00 0.00 61.00 60.75 1xsc s PRO 2 Cb 0.00 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 1xsc s PRO 2 CO 0.00 -3.12 2.22 -0.11 0.04 0.00 0.00 177.00 176.03 1xsc n LEU 3 N -4.35 3.15 -4.31 -3.56 7.94 -1.26 -4.93 117.00 109.68 1xsc n LEU 3 Ca 0.11 0.22 -0.18 0.00 -1.11 0.00 0.00 56.01 55.06 1xsc n LEU 3 Cb 0.59 -1.53 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 1xsc n LEU 3 CO 0.49 -0.69 -0.19 -0.83 -1.11 0.00 0.00 177.39 175.06 1xsc s GLY 4 N 8.21 2.03 -0.06 -3.96 0.00 -1.26 -5.05 107.32 107.23 1xsc s GLY 4 Ca 1.02 -1.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 1xsc s GLY 4 CO 0.37 -1.54 0.10 1.44 0.00 0.00 0.00 173.10 173.47 1xsc n SER 5 N -0.96 -5.99 -4.72 1.64 7.64 -1.26 -4.86 113.62 105.12 1xsc n SER 5 Ca 0.02 1.68 -0.42 0.00 1.01 0.00 0.00 58.87 61.16 1xsc n SER 5 Cb 0.65 -5.26 -0.03 0.00 -1.01 0.00 0.00 64.21 58.55 1xsc n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsc s MET 6 N -0.64 4.24 0.28 1.43 0.23 -1.26 -4.74 119.30 118.84 1xsc s MET 6 Ca -0.12 2.30 0.00 0.00 -1.03 0.00 0.00 55.69 56.84 1xsc s MET 6 Cb 0.01 -3.17 0.00 0.00 -1.53 0.00 0.00 34.83 30.13 1xsc s MET 6 CO 0.31 -0.57 0.00 0.00 -2.03 0.00 0.00 175.02 172.73 1xsc n ALA 7 N 3.95 -1.92 -2.98 3.16 0.00 -1.26 -4.88 120.51 116.58 1xsc n ALA 7 Ca 0.13 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.64 1xsc n ALA 7 Cb 0.39 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 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 -5.91 3.45 -0.33 0.00 1.02 0.23 -4.97 118.68 112.18 1xsc s LEU 8 Ca 0.00 -0.11 -0.29 0.00 0.02 0.00 0.00 54.13 53.75 1xsc s LEU 8 Cb 0.00 -1.88 0.01 0.00 0.02 0.00 0.00 46.19 44.34 1xsc s LEU 8 CO 0.00 0.09 1.13 -0.60 0.02 0.00 0.00 176.35 176.99 1xsc s ARG 9 N 0.87 4.01 0.21 1.70 3.52 -1.26 -0.06 118.95 127.94 1xsc s ARG 9 Ca 0.02 1.07 0.07 0.00 -0.13 0.00 0.00 55.73 56.76 1xsc s ARG 9 Cb -0.14 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1xsc s ARG 9 CO 0.02 -0.99 -0.13 0.00 -0.81 0.00 0.00 175.30 173.39 1xsc s ALA 10 N 3.87 2.02 -0.19 6.12 0.00 0.41 -0.54 121.76 133.46 1xsc s ALA 10 Ca 0.48 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.68 1xsc s ALA 10 Cb -0.13 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.04 1xsc s ALA 10 CO 0.18 0.04 0.42 0.00 0.00 0.00 0.00 175.76 176.40 1xsc s GLY 12 N 2.19 2.65 -0.15 0.00 0.00 0.35 -1.68 107.32 110.69 1xsc s GLY 12 Ca -0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 1xsc s GLY 12 CO -0.13 -2.05 -0.08 -2.27 0.00 0.00 0.00 173.10 168.57 1xsc s LEU 13 N -4.07 1.61 -0.94 0.66 0.20 -1.12 -3.06 118.68 111.96 1xsc s LEU 13 Ca 0.22 -0.56 -0.22 0.00 0.69 0.00 0.00 54.13 54.27 1xsc s LEU 13 Cb 0.00 -1.00 0.08 0.00 -0.43 0.00 0.00 46.19 44.84 1xsc s LEU 13 CO 0.13 -0.13 1.29 -0.63 -0.29 0.00 0.00 176.35 176.72 1xsc s ILE 14 N 1.59 4.22 0.35 6.68 1.01 0.49 -4.16 121.20 131.38 1xsc s ILE 14 Ca 0.02 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 1xsc s ILE 14 Cb -0.14 -4.92 -0.10 0.00 0.01 0.00 0.00 42.46 37.31 1xsc s ILE 14 CO -0.09 -1.75 0.96 -0.63 0.00 0.00 0.00 174.94 173.44 1xsc s ILE 15 N 4.15 4.15 -0.14 2.92 1.01 -1.26 -0.60 121.20 131.42 1xsc s ILE 15 Ca 0.39 1.71 -0.06 0.00 0.00 0.00 0.00 60.65 62.69 1xsc s ILE 15 Cb -0.03 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.59 1xsc s ILE 15 CO -0.07 0.07 0.31 0.72 0.00 0.00 0.00 174.94 175.97 1xsc s PHE 16 N -1.68 -0.51 -0.40 3.97 -0.12 0.70 -1.51 117.98 118.43 1xsc s PHE 16 Ca 0.53 1.10 -0.25 0.00 -0.05 0.00 0.00 56.93 58.26 1xsc s PHE 16 Cb -0.18 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.30 1xsc s PHE 16 CO 0.23 -0.37 0.86 0.50 -0.05 0.00 0.00 175.22 176.40 1xsc s ARG 17 N 2.25 3.68 -0.26 1.99 3.52 0.35 -3.67 118.95 126.81 1xsc s ARG 17 Ca -0.02 0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.69 1xsc s ARG 17 Cb -0.12 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1xsc s ARG 17 CO -0.10 -1.01 0.59 0.50 -0.81 0.00 0.00 175.30 174.48 1xsc s ARG 18 N 3.40 4.08 0.79 5.12 3.52 -1.26 -2.34 118.95 132.27 1xsc s ARG 18 Ca 0.35 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.29 1xsc s ARG 18 Cb -0.12 -3.66 0.07 0.00 -1.56 0.00 0.00 34.95 29.69 1xsc s ARG 18 CO 0.21 -0.40 1.09 0.00 -0.81 0.00 0.00 175.30 175.39 1xsc n LEU 20 N -3.61 0.00 -4.31 0.00 0.00 -1.26 -4.88 117.00 102.95 1xsc n LEU 20 Ca 0.09 0.40 -0.25 0.00 0.00 0.00 0.00 56.01 56.25 1xsc n LEU 20 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.82 1xsc n LEU 20 CO 0.53 0.00 -0.53 0.27 0.00 0.00 0.00 177.39 177.66 1xsc s ILE 21 N -0.80 1.83 1.04 1.96 -5.25 -1.26 -5.14 121.20 113.58 1xsc s ILE 21 Ca 0.00 -1.57 -0.12 0.00 -0.99 0.00 0.00 60.65 57.97 1xsc s ILE 21 Cb 0.00 -1.65 0.21 0.00 2.95 0.00 0.00 42.46 43.97 1xsc s ILE 21 CO 0.00 -0.01 1.07 -2.84 -1.79 0.00 0.00 174.94 171.37 1xsc s PRO 22 N -1.89 0.08 0.00 0.37 0.02 -1.26 -5.02 135.00 127.29 1xsc s PRO 22 Ca 0.08 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.91 1xsc s PRO 22 Cb -0.10 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.75 1xsc s PRO 22 CO 0.04 -3.05 0.00 1.63 -0.33 0.00 0.00 177.00 175.30 1xsc n LYS 23 N -4.44 0.00 0.02 5.54 5.02 -1.26 -4.90 118.16 118.14 1xsc n LYS 23 Ca 0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1xsc n LYS 23 Cb 0.55 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 36.02 1xsc n LYS 23 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1xsc n VAL 24 N -1.63 0.56 -1.80 -0.18 0.24 -1.26 -4.88 118.33 109.38 1xsc n VAL 24 Ca 0.00 0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.30 1xsc n VAL 24 Cb 0.00 -0.79 -0.02 0.00 -1.47 0.00 0.00 33.84 31.56 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 -1.63 -3.89 0.00 -1.34 -0.08 -1.26 -4.93 116.55 103.43 1xsc n ASP 25 Ca 0.05 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1xsc n ASP 25 Cb 0.26 -2.77 0.00 0.00 2.34 0.00 0.00 41.12 40.95 1xsc n ASP 25 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1xsc n ASN 26 N 0.09 0.00 -3.33 1.67 2.85 -1.26 -5.09 115.26 110.18 1xsc n ASN 26 Ca -0.12 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.20 1xsc n ASN 26 Cb 0.49 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.60 1xsc n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsc n ASN 27 N -0.96 0.50 0.00 1.20 5.03 -1.26 -5.00 115.26 114.77 1xsc n ASN 27 Ca 0.00 -1.51 0.00 0.00 0.87 0.00 0.00 54.58 53.94 1xsc n ASN 27 Cb 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 1xsc n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsc n ALA 28 N -3.17 0.00 -2.54 5.41 0.00 -1.26 -4.86 120.51 114.09 1xsc n ALA 28 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1xsc n ALA 28 Cb 0.34 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 3.40 -0.03 0.00 1.01 -1.26 -2.68 121.20 121.63 1xsc s ILE 29 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1xsc s ILE 29 Cb 0.00 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 1xsc s ILE 29 CO 0.00 0.51 -0.14 -1.83 0.00 0.00 0.00 174.94 173.47 1xsc s GLU 30 N -1.03 1.46 0.22 2.79 1.03 -0.99 -4.23 118.70 117.95 1xsc s GLU 30 Ca 0.14 -0.51 -0.02 0.00 0.03 0.00 0.00 54.97 54.61 1xsc s GLU 30 Cb -0.11 -1.31 -0.05 0.00 -0.80 0.00 0.00 34.13 31.87 1xsc s GLU 30 CO 0.03 0.22 0.43 -0.06 -1.33 0.00 0.00 175.26 174.55 1xsc s PHE 31 N 0.03 3.48 0.01 4.83 0.08 0.49 0.13 117.98 127.04 1xsc s PHE 31 Ca -0.02 0.42 -0.23 0.00 0.12 0.00 0.00 56.93 57.22 1xsc s PHE 31 Cb -0.10 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 1xsc s PHE 31 CO 0.01 0.33 0.68 -1.17 -0.10 0.00 0.00 175.22 174.97 1xsc s LEU 32 N -3.35 4.42 -0.00 -0.37 2.96 -0.57 -2.21 118.68 119.56 1xsc s LEU 32 Ca 0.40 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.61 1xsc s LEU 32 Cb -0.11 -3.07 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 1xsc s LEU 32 CO 0.29 0.05 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.56 1xsc s LEU 33 N -0.06 2.02 -0.14 -0.68 1.43 -0.31 -4.09 118.68 116.84 1xsc s LEU 33 Ca 0.35 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1xsc s LEU 33 Cb -0.19 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 1xsc s LEU 33 CO 0.20 0.06 -0.15 -0.76 0.23 0.00 0.00 176.35 175.93 1xsc s LEU 34 N -0.16 2.55 0.77 1.79 1.43 -0.99 -0.25 118.68 123.82 1xsc s LEU 34 Ca 0.02 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1xsc s LEU 34 Cb -0.02 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1xsc s LEU 34 CO -0.00 0.12 1.14 -1.58 0.23 0.00 0.00 176.35 176.25 1xsc s GLN 35 N 0.61 2.07 0.17 1.70 0.74 0.23 -2.64 119.66 122.54 1xsc s GLN 35 Ca -0.08 1.45 0.25 0.00 0.05 0.00 0.00 55.36 57.03 1xsc s GLN 35 Cb -0.16 -1.86 0.63 0.00 1.10 0.00 0.00 33.01 32.73 1xsc s GLN 35 CO 0.03 -1.83 1.60 0.00 -0.55 0.00 0.00 175.29 174.54 1xsc n ALA 36 N -3.24 2.55 0.00 1.58 0.00 -1.11 -3.72 120.51 116.56 1xsc n ALA 36 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xsc n ALA 36 Cb 0.52 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1xsc n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsc n SER 37 N -2.17 0.00 -0.65 0.00 3.41 -1.25 -4.46 113.62 108.50 1xsc n SER 37 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1xsc n SER 37 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.21 0.00 0.00 4.04 9.92 -1.26 -4.88 116.55 125.58 1xsc n ASP 38 Ca 0.00 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 1xsc n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xsc n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xsc n GLY 39 N 0.00 3.54 0.16 0.44 0.00 -1.26 -1.46 105.19 106.61 1xsc n GLY 39 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.63 -0.61 3.06 -1.26 -4.93 119.36 112.99 1xsc n ILE 40 Ca 0.00 -0.08 -0.16 0.00 -2.50 0.00 0.00 62.75 60.00 1xsc n ILE 40 Cb 0.00 0.08 0.01 0.00 0.54 0.00 0.00 39.64 40.28 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 -0.86 -1.21 -1.88 9.51 8.25 -0.53 -4.94 115.22 123.56 1xsc n HIS 41 Ca 0.13 0.25 -0.41 0.00 -0.26 0.00 0.00 57.72 57.43 1xsc n HIS 41 Cb 0.31 -3.50 -0.02 0.00 1.12 0.00 0.00 29.99 27.89 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 -2.93 2.89 -0.19 4.41 -3.43 -1.26 -4.33 115.29 110.44 1xsc s HIS 42 Ca 0.14 0.85 -0.09 0.00 -0.80 0.00 0.00 55.06 55.17 1xsc s HIS 42 Cb -0.06 -3.96 -0.05 0.00 -1.43 0.00 0.00 32.58 27.08 1xsc s HIS 42 CO 0.18 -3.23 0.10 -1.58 -2.00 0.00 0.00 174.74 168.21 1xsc s TRP 43 N 0.13 3.34 -0.08 0.38 0.52 -1.25 -2.77 118.94 119.21 1xsc s TRP 43 Ca 0.63 0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.83 1xsc s TRP 43 Cb -0.45 -2.12 0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1xsc s TRP 43 CO 0.44 0.23 0.31 0.95 0.02 0.00 0.00 176.95 178.90 1xsc s THR 44 N 0.36 0.02 0.92 2.01 -4.23 -1.08 -4.22 115.64 109.43 1xsc s THR 44 Ca 0.06 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 1xsc s THR 44 Cb -0.12 -0.51 0.09 0.00 1.34 0.00 0.00 72.50 73.30 1xsc s THR 44 CO -0.01 -0.11 0.78 -2.65 -0.54 0.00 0.00 174.62 172.09 1xsc n PRO 45 N 2.26 -0.33 -1.55 3.99 -0.02 -1.26 -2.34 135.00 135.75 1xsc n PRO 45 Ca -0.16 -0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.14 1xsc n PRO 45 Cb 0.57 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1xsc n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsc n PRO 46 N -2.90 0.45 -4.06 0.52 -0.02 -1.26 -4.78 135.00 122.94 1xsc n PRO 46 Ca 0.10 -0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 60.47 1xsc n PRO 46 Cb 0.53 -3.44 -0.05 0.00 -0.02 0.00 0.00 33.50 30.52 1xsc n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xsc s LYS 47 N 8.67 3.01 0.00 -0.52 -2.85 -1.26 -2.81 119.74 123.97 1xsc s LYS 47 Ca 0.95 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 1xsc s LYS 47 Cb -0.19 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1xsc s LYS 47 CO 0.14 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.47 1xsc n GLY 48 N -0.60 5.50 2.69 0.59 0.00 -0.67 -4.87 105.19 107.83 1xsc n GLY 48 Ca -0.08 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 0.79 0.96 0.00 1.61 2.46 -1.26 -3.16 115.29 116.69 1xsc s HIS 49 Ca 0.00 -0.99 -0.30 0.00 0.47 0.00 0.00 55.06 54.24 1xsc s HIS 49 Cb 0.00 -1.12 -0.03 0.00 -0.13 0.00 0.00 32.58 31.30 1xsc s HIS 49 CO 0.00 -0.70 1.03 0.54 -2.47 0.00 0.00 174.74 173.15 1xsc s VAL 50 N 1.88 4.67 0.29 0.89 0.11 0.30 -4.91 120.40 123.63 1xsc s VAL 50 Ca 0.03 1.92 -0.07 0.00 -2.93 0.00 0.00 61.98 60.94 1xsc s VAL 50 Cb -0.17 -4.23 -0.06 0.00 -1.53 0.00 0.00 36.38 30.39 1xsc s VAL 50 CO -0.17 0.13 0.58 -0.70 -3.33 0.00 0.00 175.10 171.61 1xsc s GLU 51 N 1.15 3.69 0.38 1.54 2.12 -1.26 -4.31 118.70 122.00 1xsc s GLU 51 Ca 0.53 0.12 0.20 0.00 0.36 0.00 0.00 54.97 56.19 1xsc s GLU 51 Cb -0.23 -2.62 1.21 0.00 0.26 0.00 0.00 34.13 32.76 1xsc s GLU 51 CO 0.27 0.21 1.66 -1.00 -0.54 0.00 0.00 175.26 175.86 1xsc h PRO 52 N 1.84 0.23 -0.01 4.30 0.13 -1.96 0.88 132.00 137.40 1xsc h PRO 52 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xsc h PRO 52 Cb 1.18 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xsc h PRO 52 CO 0.67 0.15 -0.29 0.41 -0.23 0.00 0.00 178.00 178.71 1xsc n GLY 53 N -1.37 -0.25 3.90 1.56 0.00 -1.26 -4.93 105.19 102.84 1xsc n GLY 53 Ca 0.33 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.42 3.66 0.69 1.61 2.12 0.31 -5.08 118.70 119.59 1xsc s GLU 54 Ca 0.24 0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.53 1xsc s GLU 54 Cb 0.19 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.98 1xsc s GLU 54 CO 0.51 0.18 1.07 0.34 -0.54 0.00 0.00 175.26 176.82 1xsc s ASP 55 N -3.15 5.21 -0.03 -1.70 3.68 -1.26 -4.57 116.67 114.86 1xsc s ASP 55 Ca 0.45 1.75 -0.05 0.00 2.13 0.00 0.00 52.55 56.83 1xsc s ASP 55 Cb -0.11 -2.51 -0.03 0.00 -1.45 0.00 0.00 42.92 38.82 1xsc s ASP 55 CO 0.30 -1.56 0.34 0.44 0.13 0.00 0.00 175.17 174.83 1xsc h ASP 56 N -0.52 -0.15 -0.78 -0.34 3.45 -1.98 -3.12 116.42 112.99 1xsc h ASP 56 Ca -0.45 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.03 1xsc h ASP 56 Cb 1.22 0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.99 1xsc h ASP 56 CO 0.55 0.06 0.52 0.25 -1.57 0.00 0.00 179.24 179.05 1xsc h LEU 57 N -0.51 0.88 -0.49 1.55 5.85 -1.96 -2.47 115.31 118.16 1xsc h LEU 57 Ca -0.02 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1xsc h LEU 57 Cb 0.13 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 1xsc h LEU 57 CO 0.03 0.63 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.30 1xsc h GLU 58 N 1.03 -0.00 -0.82 1.25 5.08 -1.98 0.94 114.58 120.08 1xsc h GLU 58 Ca 0.29 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1xsc h GLU 58 Cb -0.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 1xsc h GLU 58 CO -0.07 -0.00 0.46 1.15 -1.00 0.00 0.00 179.01 179.55 1xsc h THR 59 N -0.00 0.88 -0.08 1.13 2.02 -1.37 1.34 112.91 116.82 1xsc h THR 59 Ca 0.23 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 1xsc h THR 59 Cb 0.36 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1xsc h THR 59 CO -0.50 0.14 -0.51 0.00 0.37 0.00 0.00 175.52 175.02 1xsc h ALA 60 N 1.47 0.99 0.11 6.16 0.00 -0.60 0.29 119.26 127.67 1xsc h ALA 60 Ca 0.40 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xsc h ALA 60 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xsc h ALA 60 CO -0.27 0.66 -0.05 -0.07 0.00 0.00 0.00 179.25 179.53 1xsc h LEU 61 N 0.17 -0.12 -0.65 0.00 3.38 0.35 -2.15 115.31 116.29 1xsc h LEU 61 Ca 0.00 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1xsc h LEU 61 Cb 0.96 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1xsc h LEU 61 CO 0.08 0.40 0.34 0.03 0.09 0.00 0.00 178.44 179.39 1xsc h ARG 62 N -0.69 0.91 -0.30 1.13 3.08 0.16 -1.75 114.38 116.92 1xsc h ARG 62 Ca -0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1xsc h ARG 62 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1xsc h ARG 62 CO 0.02 0.69 0.18 0.00 -1.07 0.00 0.00 179.97 179.80 1xsc h ALA 63 N 1.16 1.75 -0.06 0.04 0.00 -0.99 1.44 119.26 122.61 1xsc h ALA 63 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xsc h ALA 63 Cb 0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xsc h ALA 63 CO -0.03 0.22 0.02 1.15 0.00 0.00 0.00 179.25 180.61 1xsc h THR 64 N 0.41 1.16 0.00 0.00 2.02 -0.63 0.53 112.91 116.40 1xsc h THR 64 Ca 0.11 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1xsc h THR 64 Cb -0.01 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1xsc h THR 64 CO -0.02 0.13 -0.36 0.06 0.37 0.00 0.00 175.52 175.70 1xsc h GLN 65 N -0.09 0.00 0.04 6.66 3.07 0.42 0.87 115.11 126.08 1xsc h GLN 65 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.54 1xsc h GLN 65 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 1xsc h GLN 65 CO -0.00 0.32 -1.03 1.49 0.09 0.00 0.00 178.83 179.70 1xsc h GLU 66 N 0.00 0.11 0.00 0.06 4.57 0.22 0.43 114.58 119.96 1xsc h GLU 66 Ca -0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1xsc h GLU 66 Cb 1.25 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1xsc h GLU 66 CO 0.04 1.04 -0.88 0.39 -1.18 0.00 0.00 179.01 178.42 1xsc n GLU 67 N -3.47 2.32 0.00 1.92 1.02 0.18 -4.57 120.64 118.05 1xsc n GLU 67 Ca -0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1xsc n GLU 67 Cb 0.93 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 -1.49 1.04 -0.84 0.62 0.00 0.30 -3.63 120.51 116.51 1xsc n ALA 68 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xsc n ALA 68 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.25 0.54 3.56 0.00 0.00 0.14 -0.10 105.19 109.59 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 -2.57 4.69 0.39 -0.61 1.01 -1.11 -4.73 121.20 118.26 1xsc s ILE 70 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1xsc s ILE 70 Cb 0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1xsc s ILE 70 CO 0.00 0.39 0.38 -1.83 0.00 0.00 0.00 174.94 173.88 1xsc s GLU 71 N 0.97 2.64 0.41 2.79 -1.05 -1.26 0.29 118.70 123.49 1xsc s GLU 71 Ca 0.04 -1.42 0.22 0.00 -0.15 0.00 0.00 54.97 53.67 1xsc s GLU 71 Cb -0.14 -2.46 1.21 0.00 -0.44 0.00 0.00 34.13 32.30 1xsc s GLU 71 CO 0.03 -0.11 1.72 0.00 0.95 0.00 0.00 175.26 177.85 1xsc h ALA 72 N 1.05 2.39 0.00 -0.84 0.00 -1.90 1.29 119.26 121.25 1xsc h ALA 72 Ca -0.42 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1xsc h ALA 72 Cb 1.26 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xsc h ALA 72 CO 0.56 -0.88 -0.12 0.78 0.00 0.00 0.00 179.25 179.59 1xsc h GLY 73 N 0.28 0.00 -0.11 0.00 0.00 -1.99 -2.37 103.07 98.88 1xsc h GLY 73 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1xsc h GLY 73 CO -0.35 0.00 -0.34 -1.06 0.00 0.00 0.00 176.54 174.79 1xsc n GLN 74 N -3.30 0.92 -1.23 4.80 1.13 0.44 -4.95 117.38 115.19 1xsc n GLN 74 Ca -0.00 -0.63 0.00 0.00 -1.94 0.00 0.00 57.00 54.43 1xsc n GLN 74 Cb 0.35 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1xsc n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsc n LEU 75 N -0.49 0.00 -3.54 1.08 -0.00 -0.73 -2.21 117.00 111.10 1xsc n LEU 75 Ca 0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.83 1xsc n LEU 75 Cb 0.38 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.66 1xsc n LEU 75 CO 0.27 0.00 -0.33 -0.89 -0.00 0.00 0.00 177.39 176.44 1xsc s THR 76 N -1.15 0.05 -0.47 1.47 2.01 0.97 -4.74 115.64 113.78 1xsc s THR 76 Ca 0.00 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.71 1xsc s THR 76 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1xsc s THR 76 CO 0.00 -0.78 1.67 -0.63 -0.69 0.00 0.00 174.62 174.19 1xsc s ILE 77 N 1.84 3.58 0.17 1.82 -1.09 -1.25 -1.51 121.20 124.76 1xsc s ILE 77 Ca 0.11 0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.75 1xsc s ILE 77 Cb -0.18 -3.98 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 1xsc s ILE 77 CO -0.28 -0.76 1.30 -0.63 -1.23 0.00 0.00 174.94 173.34 1xsc s ILE 78 N 7.03 3.35 0.24 2.92 1.09 0.39 -4.97 121.20 131.25 1xsc s ILE 78 Ca 0.68 1.07 -0.08 0.00 -1.10 0.00 0.00 60.65 61.22 1xsc s ILE 78 Cb -0.16 -3.69 -0.07 0.00 -1.06 0.00 0.00 42.46 37.49 1xsc s ILE 78 CO 0.28 0.14 0.54 -1.61 -0.10 0.00 0.00 174.94 174.19 1xsc s GLU 79 N 0.18 3.74 0.00 2.79 2.02 -1.26 -4.26 118.70 121.91 1xsc s GLU 79 Ca 0.58 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1xsc s GLU 79 Cb -0.35 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1xsc s GLU 79 CO 0.36 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1xsc n GLY 80 N -0.32 3.22 3.56 -1.39 0.00 -1.26 -5.05 105.19 103.96 1xsc n GLY 80 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.84 3.16 -0.26 1.61 2.19 -1.26 -5.08 117.98 115.50 1xsc s PHE 81 Ca 0.00 -0.11 -0.14 0.00 0.33 0.00 0.00 56.93 57.01 1xsc s PHE 81 Cb 0.00 -2.09 0.09 0.00 -1.31 0.00 0.00 43.02 39.71 1xsc s PHE 81 CO 0.00 0.00 0.63 0.21 1.83 0.00 0.00 175.22 177.90 1xsc s LYS 82 N 0.64 0.63 -0.06 10.12 2.20 -1.26 -4.66 119.74 127.34 1xsc s LYS 82 Ca 0.02 1.20 -0.20 0.00 -0.36 0.00 0.00 55.97 56.62 1xsc s LYS 82 Cb -0.13 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1xsc s LYS 82 CO 0.02 -0.16 0.47 0.50 -0.36 0.00 0.00 175.35 175.81 1xsc s ARG 83 N 1.84 0.77 -0.02 4.03 6.06 -1.23 -5.01 118.95 125.38 1xsc s ARG 83 Ca -0.09 0.15 0.04 0.00 -2.50 0.00 0.00 55.73 53.33 1xsc s ARG 83 Cb -0.07 0.36 -0.01 0.00 0.06 0.00 0.00 34.95 35.29 1xsc s ARG 83 CO -0.19 -0.20 -0.15 -1.83 -2.50 0.00 0.00 175.30 170.43 1xsc s GLU 84 N -0.92 1.34 -0.24 5.12 1.03 -1.25 0.61 118.70 124.39 1xsc s GLU 84 Ca -0.10 -0.52 -0.11 0.00 0.03 0.00 0.00 54.97 54.27 1xsc s GLU 84 Cb -0.03 -1.25 -0.05 0.00 -0.80 0.00 0.00 34.13 32.00 1xsc s GLU 84 CO 0.05 0.27 0.18 -0.51 -1.33 0.00 0.00 175.26 173.93 1xsc s LEU 85 N -0.16 4.11 -0.17 1.83 1.43 0.28 -4.77 118.68 121.23 1xsc s LEU 85 Ca 0.02 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1xsc s LEU 85 Cb -0.08 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1xsc s LEU 85 CO 0.00 0.04 -0.11 0.20 0.23 0.00 0.00 176.35 176.72 1xsc s ASN 86 N 1.09 3.98 -0.19 2.29 0.02 -1.25 0.66 114.94 121.55 1xsc s ASN 86 Ca 0.09 -0.40 -0.29 0.00 -1.02 0.00 0.00 52.86 51.24 1xsc s ASN 86 Cb -0.14 -1.64 0.12 0.00 0.02 0.00 0.00 41.25 39.61 1xsc s ASN 86 CO 0.05 0.07 0.97 -0.72 0.02 0.00 0.00 177.10 177.49 1xsc s TYR 87 N 0.91 -0.44 -0.49 2.20 -0.85 -1.04 -4.92 117.35 112.72 1xsc s TYR 87 Ca -0.02 0.86 -0.22 0.00 -0.52 0.00 0.00 57.07 57.17 1xsc s TYR 87 Cb -0.15 0.42 0.04 0.00 0.38 0.00 0.00 41.96 42.65 1xsc s TYR 87 CO -0.00 -0.34 0.78 0.54 -1.52 0.00 0.00 175.55 175.01 1xsc s VAL 88 N -0.69 4.64 0.00 -3.49 0.11 -1.26 0.47 120.40 120.17 1xsc s VAL 88 Ca -0.01 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1xsc s VAL 88 Cb -0.02 -4.37 0.00 0.00 -1.53 0.00 0.00 36.38 30.46 1xsc s VAL 88 CO 0.00 -0.85 0.00 0.00 -3.33 0.00 0.00 175.10 170.93 1xsc n ALA 89 N 6.77 0.00 0.01 1.54 0.00 -1.03 -4.69 120.51 123.11 1xsc n ALA 89 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1xsc n ALA 89 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 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 0.07 0.00 0.00 0.11 -2.04 -3.42 114.38 109.11 1xsc h ARG 90 Ca 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1xsc h ARG 90 Cb 0.00 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.03 1xsc h ARG 90 CO 0.00 0.07 -0.07 -1.71 0.10 0.00 0.00 179.97 178.37 1xsc n ASN 91 N -5.04 -0.23 -3.68 0.08 2.85 -1.26 -5.14 115.26 102.85 1xsc n ASN 91 Ca -0.06 -0.53 -0.10 0.00 -0.11 0.00 0.00 54.58 53.79 1xsc n ASN 91 Cb 0.04 0.07 -0.09 0.00 1.24 0.00 0.00 39.78 41.04 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 0.52 -0.09 1.20 2.47 -1.26 -5.09 119.74 117.50 1xsc s LYS 92 Ca 0.00 0.92 -0.30 0.00 -1.56 0.00 0.00 55.97 55.03 1xsc s LYS 92 Cb 0.00 0.07 -0.04 0.00 -1.46 0.00 0.00 37.83 36.40 1xsc s LYS 92 CO 0.00 -0.14 1.54 -1.25 0.16 0.00 0.00 175.35 175.66 1xsc s PRO 93 N 1.32 4.20 -0.19 4.03 0.04 -1.26 -2.47 135.00 140.66 1xsc s PRO 93 Ca -0.08 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1xsc s PRO 93 Cb -0.07 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1xsc s PRO 93 CO -0.13 -0.81 0.05 0.15 0.04 0.00 0.00 177.00 176.30 1xsc s LYS 94 N 3.88 3.87 -0.44 4.56 1.02 0.18 0.78 119.74 133.58 1xsc s LYS 94 Ca 0.68 -0.40 -0.18 0.00 0.02 0.00 0.00 55.97 56.09 1xsc s LYS 94 Cb -0.30 -3.18 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1xsc s LYS 94 CO 0.25 0.19 0.51 0.99 -0.92 0.00 0.00 175.35 176.37 1xsc s THR 95 N 0.57 5.01 -0.38 2.17 2.01 0.92 -2.49 115.64 123.45 1xsc s THR 95 Ca 0.02 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 1xsc s THR 95 Cb -0.13 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.31 1xsc s THR 95 CO 0.01 -0.52 0.19 -0.69 -0.69 0.00 0.00 174.62 172.92 1xsc s VAL 96 N 2.33 4.21 -0.09 3.82 1.01 0.21 0.16 120.40 132.04 1xsc s VAL 96 Ca 0.14 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1xsc s VAL 96 Cb -0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1xsc s VAL 96 CO 0.14 -0.30 0.75 -0.63 0.00 0.00 0.00 175.10 175.06 1xsc s ILE 97 N 1.46 5.00 -0.11 2.22 -1.09 -0.65 0.10 121.20 128.14 1xsc s ILE 97 Ca 0.01 1.52 0.02 0.00 -2.23 0.00 0.00 60.65 59.97 1xsc s ILE 97 Cb -0.20 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1xsc s ILE 97 CO 0.04 0.19 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsc s TYR 98 N 1.16 2.68 0.21 3.97 2.02 0.20 0.13 117.35 127.72 1xsc s TYR 98 Ca 0.38 -0.74 0.10 0.00 -0.37 0.00 0.00 57.07 56.44 1xsc s TYR 98 Cb -0.18 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1xsc s TYR 98 CO 0.17 -0.24 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.20 1xsc s TRP 99 N 0.20 2.51 -0.19 2.71 0.51 -1.17 -3.55 118.94 119.96 1xsc s TRP 99 Ca -0.11 -0.27 -0.20 0.00 -2.12 0.00 0.00 56.10 53.40 1xsc s TRP 99 Cb -0.16 -1.20 -0.03 0.00 -0.81 0.00 0.00 33.47 31.27 1xsc s TRP 99 CO 0.06 0.55 0.60 -0.51 -0.51 0.00 0.00 176.95 177.14 1xsc s LEU 100 N -2.99 4.16 -0.02 2.99 1.43 -1.26 0.19 118.68 123.18 1xsc s LEU 100 Ca 0.25 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 1xsc s LEU 100 Cb -0.08 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1xsc s LEU 100 CO 0.14 -0.22 -0.08 0.00 0.23 0.00 0.00 176.35 176.42 1xsc s ALA 101 N 1.70 0.76 -0.27 4.21 0.00 0.23 0.15 121.76 128.54 1xsc s ALA 101 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1xsc s ALA 101 Cb -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1xsc s ALA 101 CO 0.11 0.14 -0.02 -2.00 0.00 0.00 0.00 175.76 173.99 1xsc s GLU 102 N 0.09 2.86 -0.62 0.00 2.12 -0.57 0.25 118.70 122.83 1xsc s GLU 102 Ca -0.01 -0.98 -0.27 0.00 0.36 0.00 0.00 54.97 54.07 1xsc s GLU 102 Cb -0.07 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 1xsc s GLU 102 CO 0.00 -0.43 1.67 0.14 -0.54 0.00 0.00 175.26 176.10 1xsc s VAL 103 N 1.36 3.50 -0.87 3.70 -7.23 -1.24 -0.02 120.40 119.59 1xsc s VAL 103 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1xsc s VAL 103 Cb -0.17 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.57 1xsc s VAL 103 CO -0.02 -1.12 0.90 2.29 -0.31 0.00 0.00 175.10 176.84 1xsc n LYS 104 N 9.12 0.00 -3.62 4.82 0.00 -0.94 -4.10 118.16 123.44 1xsc n LYS 104 Ca 0.16 0.41 -0.40 0.00 -0.00 0.00 0.00 58.31 58.48 1xsc n LYS 104 Cb 0.51 -1.58 -0.09 0.00 -0.00 0.00 0.00 35.03 33.87 1xsc n LYS 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xsc s ASP 105 N -2.81 5.58 0.32 -5.58 1.01 -1.26 -4.95 116.67 108.99 1xsc s ASP 105 Ca 0.00 -1.87 0.07 0.00 0.71 0.00 0.00 52.55 51.46 1xsc s ASP 105 Cb 0.00 -1.96 0.77 0.00 1.01 0.00 0.00 42.92 42.74 1xsc s ASP 105 CO 0.00 -0.63 1.81 0.22 0.21 0.00 0.00 175.17 176.78 1xsc h TYR 106 N 8.34 0.97 -0.85 4.23 5.03 -1.98 0.68 116.97 133.39 1xsc h TYR 106 Ca -0.19 0.03 -0.35 0.00 2.58 0.00 0.00 58.73 60.79 1xsc h TYR 106 Cb 1.07 -0.30 -0.21 0.00 1.55 0.00 0.00 36.73 38.84 1xsc h TYR 106 CO 0.61 0.27 0.45 -0.25 -1.32 0.00 0.00 178.16 177.92 1xsc n ASP 107 N -4.67 4.34 -4.58 -2.11 9.92 -1.26 -5.00 116.55 113.19 1xsc n ASP 107 Ca 0.21 -3.37 -0.41 0.00 -0.53 0.00 0.00 54.79 50.69 1xsc n ASP 107 Cb 0.55 -0.79 0.01 0.00 -0.64 0.00 0.00 41.12 40.25 1xsc n ASP 107 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1xsc n VAL 108 N -0.58 2.39 -2.31 2.53 3.14 0.24 -4.92 118.33 118.83 1xsc n VAL 108 Ca 0.49 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.99 1xsc n VAL 108 Cb 1.51 -1.02 -0.02 0.00 -1.06 0.00 0.00 33.84 33.25 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 -1.97 4.09 -0.35 1.45 1.03 -1.26 -5.02 118.70 116.67 1xsc s GLU 109 Ca 0.64 1.83 0.03 0.00 0.03 0.00 0.00 54.97 57.51 1xsc s GLU 109 Cb -0.56 -2.70 0.10 0.00 -0.80 0.00 0.00 34.13 30.17 1xsc s GLU 109 CO 0.56 -0.29 0.08 0.42 -1.33 0.00 0.00 175.26 174.70 1xsc s ILE 110 N -1.41 2.11 -0.51 1.83 -1.09 -1.24 -4.33 121.20 116.56 1xsc s ILE 110 Ca 0.56 -2.31 -0.17 0.00 -2.23 0.00 0.00 60.65 56.50 1xsc s ILE 110 Cb -0.31 -2.56 0.09 0.00 -1.58 0.00 0.00 42.46 38.11 1xsc s ILE 110 CO 0.39 -0.63 0.52 -0.13 -1.23 0.00 0.00 174.94 173.85 1xsc s ARG 111 N 0.88 3.02 0.64 2.79 0.52 0.86 -4.86 118.95 122.80 1xsc s ARG 111 Ca 0.11 -1.35 -0.00 0.00 -0.52 0.00 0.00 55.73 53.97 1xsc s ARG 111 Cb -0.19 -4.19 0.08 0.00 0.52 0.00 0.00 34.95 31.16 1xsc s ARG 111 CO -0.09 -1.22 0.89 -0.51 0.02 0.00 0.00 175.30 174.39 1xsc s LEU 112 N 1.99 3.10 0.00 2.53 1.43 -1.24 -1.59 118.68 124.90 1xsc s LEU 112 Ca 0.07 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1xsc s LEU 112 Cb -0.25 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1xsc s LEU 112 CO 0.07 -1.49 0.03 -1.54 0.23 0.00 0.00 176.35 173.64 1xsc n SER 113 N -2.61 2.06 0.07 2.29 3.41 -1.26 -4.95 113.62 112.63 1xsc n SER 113 Ca 0.11 -1.49 0.08 0.00 -0.26 0.00 0.00 58.87 57.31 1xsc n SER 113 Cb 0.60 0.06 0.38 0.00 -0.26 0.00 0.00 64.21 64.98 1xsc n SER 113 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1xsc n HIS 114 N -0.43 0.42 0.06 7.33 -0.00 -1.26 -1.97 115.22 119.36 1xsc n HIS 114 Ca -0.04 0.18 0.05 0.00 0.46 0.00 0.00 57.72 58.37 1xsc n HIS 114 Cb 0.15 -0.79 -0.06 0.00 -0.12 0.00 0.00 29.99 29.17 1xsc n HIS 114 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xsc n GLU 115 N -1.90 0.62 -3.95 1.57 1.02 -1.26 -4.80 120.64 111.94 1xsc n GLU 115 Ca 0.02 0.16 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1xsc n GLU 115 Cb 0.14 -1.80 -0.14 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.11 2.95 -0.25 -0.32 3.76 -0.83 -3.74 115.29 113.75 1xsc s HIS 116 Ca -0.02 -1.19 0.20 0.00 -0.15 0.00 0.00 55.06 53.90 1xsc s HIS 116 Cb 0.09 -2.07 0.07 0.00 1.11 0.00 0.00 32.58 31.78 1xsc s HIS 116 CO 0.81 -0.63 1.23 0.37 -0.85 0.00 0.00 174.74 175.66 1xsc h GLN 117 N 8.07 0.00 0.00 1.40 5.75 -1.79 -3.36 115.11 125.19 1xsc h GLN 117 Ca -0.40 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.18 1xsc h GLN 117 Cb 1.15 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 1xsc h GLN 117 CO 0.61 0.17 0.37 0.00 -2.65 0.00 0.00 178.83 177.32 1xsc n ALA 118 N -2.22 -1.78 -2.95 3.38 0.00 -1.26 -5.01 120.51 110.67 1xsc n ALA 118 Ca -0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 1xsc n ALA 118 Cb 0.65 0.50 -0.05 0.00 0.00 0.00 0.00 19.45 20.54 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 -3.41 0.78 -0.05 0.00 1.13 -1.26 0.77 117.35 115.32 1xsc s TYR 119 Ca 0.15 -1.08 -0.26 0.00 -1.41 0.00 0.00 57.07 54.47 1xsc s TYR 119 Cb -0.02 -0.00 0.06 0.00 -1.10 0.00 0.00 41.96 40.89 1xsc s TYR 119 CO 0.05 -1.04 0.58 1.03 -2.51 0.00 0.00 175.55 173.66 1xsc s ARG 120 N -3.51 0.94 -0.35 -3.49 0.52 0.65 -4.91 118.95 108.82 1xsc s ARG 120 Ca 0.28 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.62 1xsc s ARG 120 Cb 0.00 0.44 0.07 0.00 0.52 0.00 0.00 34.95 35.98 1xsc s ARG 120 CO 0.15 -0.28 0.09 -1.58 0.02 0.00 0.00 175.30 173.70 1xsc s TRP 121 N -1.16 3.36 0.19 -0.53 0.52 -1.26 -1.17 118.94 118.90 1xsc s TRP 121 Ca -0.11 -1.92 0.00 0.00 0.02 0.00 0.00 56.10 54.09 1xsc s TRP 121 Cb -0.02 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 1xsc s TRP 121 CO 0.08 -0.84 0.07 -0.51 0.02 0.00 0.00 176.95 175.78 1xsc s LEU 122 N 1.26 1.65 0.00 2.99 1.02 -0.94 -4.86 118.68 119.80 1xsc s LEU 122 Ca -0.00 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 52.85 1xsc s LEU 122 Cb -0.21 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.17 1xsc s LEU 122 CO -0.01 -0.72 0.00 0.61 0.02 0.00 0.00 176.35 176.25 1xsc n GLY 123 N -0.28 -1.12 0.24 -3.19 0.00 -1.26 0.18 105.19 99.76 1xsc n GLY 123 Ca -0.02 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 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 0.73 0.25 0.99 5.85 -1.91 0.41 115.31 121.63 1xsc h LEU 124 Ca 0.00 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1xsc h LEU 124 Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1xsc h LEU 124 CO 0.00 0.77 -0.21 1.05 -0.34 0.00 0.00 178.44 179.72 1xsc h GLU 125 N 0.66 -0.45 -0.06 1.25 4.11 -1.98 0.26 114.58 118.38 1xsc h GLU 125 Ca 0.15 0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.58 1xsc h GLU 125 Cb 0.32 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xsc h GLU 125 CO 0.00 -0.30 -0.08 0.93 0.07 0.00 0.00 179.01 179.63 1xsc h GLU 126 N -0.47 0.16 -0.50 1.06 3.07 -1.90 0.12 114.58 116.12 1xsc h GLU 126 Ca -0.01 -0.09 0.14 0.00 -0.50 0.00 0.00 59.36 58.90 1xsc h GLU 126 Cb 0.42 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1xsc h GLU 126 CO -0.02 0.64 0.47 0.00 -1.40 0.00 0.00 179.01 178.69 1xsc h ALA 127 N 0.52 2.28 0.19 3.43 0.00 -0.13 0.46 119.26 126.00 1xsc h ALA 127 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1xsc h ALA 127 Cb 0.62 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xsc h ALA 127 CO 0.02 -0.73 -1.58 0.00 0.00 0.00 0.00 179.25 176.97 1xsc h GLN 129 N 0.11 0.59 0.15 0.00 3.07 0.26 -2.72 115.11 116.57 1xsc h GLN 129 Ca -0.28 -0.04 -0.30 0.00 0.09 0.00 0.00 58.65 58.13 1xsc h GLN 129 Cb 2.10 -0.13 0.02 0.00 0.08 0.00 0.00 27.48 29.55 1xsc h GLN 129 CO 0.21 0.39 -1.28 -0.07 0.09 0.00 0.00 178.83 178.16 1xsc h LEU 130 N 0.60 0.74 -4.06 0.06 3.38 -1.30 -3.32 115.31 111.42 1xsc h LEU 130 Ca 0.22 -0.73 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 1xsc h LEU 130 Cb 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 1xsc h LEU 130 CO -0.11 1.55 -0.28 0.00 0.09 0.00 0.00 178.44 179.69 1xsc n ALA 131 N -2.65 6.19 -0.58 1.53 0.00 -0.67 -3.90 120.51 120.44 1xsc n ALA 131 Ca -0.13 -1.79 0.45 0.00 0.00 0.00 0.00 53.44 51.97 1xsc n ALA 131 Cb 1.01 -2.34 0.71 0.00 0.00 0.00 0.00 19.45 18.84 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 2.54 -0.01 -1.66 0.00 0.00 -1.19 -4.00 117.38 113.07 1xsc n GLN 132 Ca 0.42 1.07 -0.42 0.00 0.00 0.00 0.00 57.00 58.07 1xsc n GLN 132 Cb 0.87 -2.31 -0.03 0.00 0.00 0.00 0.00 30.24 28.77 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 -4.09 2.50 -0.23 2.61 3.01 -1.26 -4.87 117.46 115.13 1xsc n PHE 133 Ca 0.40 -0.37 -0.00 0.00 1.01 0.00 0.00 57.45 58.48 1xsc n PHE 133 Cb 1.72 -2.80 0.07 0.00 -0.01 0.00 0.00 39.48 38.45 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 10.75 -0.01 -0.39 -1.08 3.64 -1.98 -1.74 116.57 125.76 1xsc h LYS 134 Ca -0.50 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1xsc h LYS 134 Cb 1.24 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1xsc h LYS 134 CO 0.94 -0.00 -0.34 0.93 -2.27 0.00 0.00 179.45 178.71 1xsc h GLU 135 N -0.01 -0.26 -0.56 1.90 3.07 -1.90 -1.56 114.58 115.27 1xsc h GLU 135 Ca 0.32 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1xsc h GLU 135 Cb 0.50 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1xsc h GLU 135 CO -0.69 -0.17 0.33 0.52 -1.40 0.00 0.00 179.01 177.59 1xsc h MET 136 N -0.27 0.77 -1.01 2.33 2.86 -1.62 -1.19 114.93 116.80 1xsc h MET 136 Ca 0.17 -0.08 0.24 0.00 -2.06 0.00 0.00 59.70 57.97 1xsc h MET 136 Cb 0.55 -0.16 -0.12 0.00 0.06 0.00 0.00 31.60 31.93 1xsc h MET 136 CO -0.54 0.57 0.61 0.87 1.06 0.00 0.00 176.91 179.49 1xsc h LYS 137 N 0.76 0.56 -0.06 1.72 6.56 -0.55 0.21 116.57 125.78 1xsc h LYS 137 Ca 0.20 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.69 1xsc h LYS 137 Cb 0.01 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.54 1xsc h LYS 137 CO -0.04 0.37 -0.21 0.00 -2.06 0.00 0.00 179.45 177.52 1xsc h ALA 138 N 1.69 0.11 -0.58 3.86 0.00 -0.61 0.13 119.26 123.86 1xsc h ALA 138 Ca 0.62 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1xsc h ALA 138 Cb 1.22 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1xsc h ALA 138 CO -0.42 0.07 0.14 0.00 0.00 0.00 0.00 179.25 179.04 1xsc h ALA 139 N 0.43 0.69 0.00 0.00 0.00 0.26 0.42 119.26 121.06 1xsc h ALA 139 Ca -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xsc h ALA 139 Cb 0.84 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xsc h ALA 139 CO 0.04 -0.28 -0.59 -0.07 0.00 0.00 0.00 179.25 178.35 1xsc h LEU 140 N 0.28 0.00 0.13 0.00 3.38 -0.72 -1.62 115.31 116.75 1xsc h LEU 140 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1xsc h LEU 140 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xsc h LEU 140 CO -0.37 0.59 -0.06 1.56 0.09 0.00 0.00 178.44 180.25 1xsc h GLN 141 N 0.00 -0.17 0.00 1.13 1.08 0.19 -2.66 115.11 114.69 1xsc h GLN 141 Ca -0.01 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 1xsc h GLN 141 Cb 1.23 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.67 1xsc h GLN 141 CO 0.08 0.13 -0.67 0.93 -0.95 0.00 0.00 178.83 178.35 1xsc h GLU 142 N -0.47 0.00 -0.09 1.46 3.07 -0.37 -2.37 114.58 115.80 1xsc h GLU 142 Ca -0.02 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1xsc h GLU 142 Cb 0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 1xsc h GLU 142 CO 0.03 0.67 -0.05 0.78 -1.40 0.00 0.00 179.01 179.04 1xsc h GLY 143 N 2.09 0.04 1.34 -3.84 0.00 -1.24 0.38 103.07 101.85 1xsc h GLY 143 Ca -0.01 0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 1xsc h GLY 143 CO 0.09 -0.06 -0.46 0.84 0.00 0.00 0.00 176.54 176.95 1xsc h HIS 144 N -0.04 0.86 0.24 5.60 6.17 -1.50 -2.88 115.15 123.61 1xsc h HIS 144 Ca 0.05 -0.27 -0.01 0.00 0.71 0.00 0.00 60.37 60.85 1xsc h HIS 144 Cb 0.12 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.87 1xsc h HIS 144 CO -0.16 1.03 -0.12 0.37 0.71 0.00 0.00 177.93 179.75 1xsc h GLN 145 N 0.57 -0.32 0.17 5.26 5.75 -0.96 0.86 115.11 126.43 1xsc h GLN 145 Ca 0.03 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1xsc h GLN 145 Cb 1.01 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 1xsc h GLN 145 CO 0.10 -0.22 -0.31 0.35 -2.65 0.00 0.00 178.83 176.10 1xsc h PHE 146 N -0.34 -0.83 -0.90 3.99 3.04 -0.27 -2.22 116.94 119.42 1xsc h PHE 146 Ca -0.03 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.97 1xsc h PHE 146 Cb 0.27 0.34 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 1xsc h PHE 146 CO -0.07 -0.42 0.58 -0.07 -2.02 0.00 0.00 178.31 176.31 1xsc h LEU 147 N -0.56 0.96 -0.75 0.59 3.38 -1.46 0.82 115.31 118.29 1xsc h LEU 147 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsc h LEU 147 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xsc h LEU 147 CO -0.15 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.04 1xsc n SER 149 N -1.97 0.36 0.00 0.00 2.88 0.24 -4.88 113.62 110.25 1xsc n SER 149 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1xsc n SER 149 Cb 0.08 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 1xsc n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsc n ILE 150 N -2.55 0.00 -2.06 2.46 5.41 -0.31 -4.99 119.36 117.32 1xsc n ILE 150 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.64 1xsc n ILE 150 Cb 0.70 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.64 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 -0.95 0.02 0.38 2.13 -1.26 -4.93 120.64 116.03 1xsc n GLU 151 Ca 0.00 1.15 0.13 0.00 0.66 0.00 0.00 57.16 59.10 1xsc n GLU 151 Cb 0.00 -3.22 0.56 0.00 0.27 0.00 0.00 31.44 29.04 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 -0.48 2.26 0.55 4.31 0.00 -1.26 -5.22 120.51 120.67 1xsc n ALA 152 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1xsc n ALA 152 Cb 0.21 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.27 1xsc n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39