#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oeo s LEU 7 N 0.00 2.63 0.00 3.14 1.43 -1.26 -5.10 118.68 119.52 2oeo s LEU 7 Ca 0.00 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2oeo s LEU 7 Cb 0.00 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 2oeo s LEU 7 CO 0.00 -1.80 -0.04 -1.38 0.23 0.00 0.00 176.35 173.36 2oeo s HIS 8 N -3.45 0.35 0.10 0.29 -3.43 -1.26 -5.13 115.29 102.75 2oeo s HIS 8 Ca 0.61 -0.13 -0.25 0.00 -0.80 0.00 0.00 55.06 54.50 2oeo s HIS 8 Cb -0.11 -0.22 -0.07 0.00 -1.43 0.00 0.00 32.58 30.76 2oeo s HIS 8 CO 0.47 -0.02 0.75 0.15 -2.00 0.00 0.00 174.74 174.09 2oeo s LYS 9 N -0.32 4.50 -0.01 -0.38 1.02 -1.26 -4.37 119.74 118.92 2oeo s LYS 9 Ca -0.01 1.08 0.07 0.00 0.02 0.00 0.00 55.97 57.14 2oeo s LYS 9 Cb -0.03 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 2oeo s LYS 9 CO -0.00 0.43 -0.24 -1.21 -0.92 0.00 0.00 175.35 173.41 2oeo s GLU 10 N -0.59 1.90 0.67 1.68 2.02 0.81 -4.94 118.70 120.25 2oeo s GLU 10 Ca 0.37 -0.88 -0.13 0.00 0.02 0.00 0.00 54.97 54.35 2oeo s GLU 10 Cb -0.22 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2oeo s GLU 10 CO 0.24 0.51 1.08 -1.25 0.02 0.00 0.00 175.26 175.86 2oeo s PRO 11 N -0.64 2.86 0.16 0.39 0.04 -1.26 -0.33 135.00 136.22 2oeo s PRO 11 Ca 0.09 1.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.07 2oeo s PRO 11 Cb -0.09 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.54 2oeo s PRO 11 CO -0.01 -1.18 0.90 0.00 0.04 0.00 0.00 177.00 176.76 2oeo s ALA 12 N -2.66 -1.59 0.02 8.56 0.00 -0.93 -4.76 121.76 120.40 2oeo s ALA 12 Ca 0.63 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.77 2oeo s ALA 12 Cb -0.17 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 2oeo s ALA 12 CO 0.47 -1.01 -0.16 0.95 0.00 0.00 0.00 175.76 176.01 2oeo s THR 13 N -3.40 1.28 0.06 0.00 -4.23 -1.10 -4.20 115.64 104.06 2oeo s THR 13 Ca 0.11 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.42 2oeo s THR 13 Cb -0.02 -1.11 -0.06 0.00 1.34 0.00 0.00 72.50 72.65 2oeo s THR 13 CO 0.02 0.20 1.21 -0.22 -0.54 0.00 0.00 174.62 175.28 2oeo s LEU 14 N -0.81 4.37 -0.25 4.79 1.98 -1.26 -0.36 118.68 127.13 2oeo s LEU 14 Ca 0.05 2.03 -0.16 0.00 -2.89 0.00 0.00 54.13 53.16 2oeo s LEU 14 Cb -0.07 -3.58 -0.13 0.00 0.66 0.00 0.00 46.19 43.07 2oeo s LEU 14 CO 0.01 -0.48 -0.24 -0.38 -1.89 0.00 0.00 176.35 173.36 2oeo n ILE 15 N 3.94 1.53 -3.63 6.68 5.41 -0.54 -4.83 119.36 127.92 2oeo n ILE 15 Ca 0.09 -0.26 -0.05 0.00 1.00 0.00 0.00 62.75 63.53 2oeo n ILE 15 Cb 0.46 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 2oeo n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2oeo s LYS 16 N -2.51 0.23 0.22 0.38 -2.85 -0.97 -5.03 119.74 109.21 2oeo s LYS 16 Ca -0.35 0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 2oeo s LYS 16 Cb 0.12 0.11 -0.09 0.00 -2.06 0.00 0.00 37.83 35.92 2oeo s LYS 16 CO 0.50 -0.05 0.96 0.00 0.10 0.00 0.00 175.35 176.86 2oeo s ALA 17 N -0.34 3.33 -0.03 0.59 0.00 -1.26 -0.91 121.76 123.14 2oeo s ALA 17 Ca 0.05 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 2oeo s ALA 17 Cb -0.03 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2oeo s ALA 17 CO -0.09 0.13 -0.05 -0.89 0.00 0.00 0.00 175.76 174.86 2oeo n ILE 18 N 1.68 0.24 -2.63 0.00 5.41 -0.98 -4.89 119.36 118.19 2oeo n ILE 18 Ca -0.01 0.44 0.00 0.00 1.00 0.00 0.00 62.75 64.18 2oeo n ILE 18 Cb 0.47 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 2oeo n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2oeo n ASP 19 N -2.80 0.00 -0.23 4.38 3.85 -0.93 -5.02 116.55 115.80 2oeo n ASP 19 Ca -0.02 -0.01 0.03 0.00 -0.71 0.00 0.00 54.79 54.07 2oeo n ASP 19 Cb 0.08 0.00 0.15 0.00 -1.35 0.00 0.00 41.12 40.00 2oeo n ASP 19 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2oeo h GLY 20 N 0.00 0.99 -0.10 6.12 0.00 -1.82 -3.25 103.07 105.01 2oeo h GLY 20 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2oeo h GLY 20 CO 0.00 -0.07 0.00 2.09 0.00 0.00 0.00 176.54 178.56 2oeo n ASP 21 N -5.02 2.18 -3.98 0.19 5.68 -1.26 -4.75 116.55 109.59 2oeo n ASP 21 Ca 0.12 -2.31 -0.19 0.00 -0.50 0.00 0.00 54.79 51.90 2oeo n ASP 21 Cb 0.35 -0.14 -0.15 0.00 -1.14 0.00 0.00 41.12 40.04 2oeo n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2oeo s THR 22 N -1.54 0.66 -0.02 2.12 -4.23 -1.23 -0.91 115.64 110.49 2oeo s THR 22 Ca 0.11 -0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2oeo s THR 22 Cb 0.09 -0.59 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2oeo s THR 22 CO 0.02 0.21 0.06 0.68 -0.54 0.00 0.00 174.62 175.04 2oeo s VAL 23 N 0.13 0.01 -0.26 2.29 -7.23 -0.63 -2.19 120.40 112.51 2oeo s VAL 23 Ca -0.02 -0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 59.90 2oeo s VAL 23 Cb -0.07 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 2oeo s VAL 23 CO 0.00 -0.03 0.57 -0.75 -0.31 0.00 0.00 175.10 174.58 2oeo s LYS 24 N -0.08 4.06 0.11 4.82 2.20 -0.09 -0.05 119.74 130.71 2oeo s LYS 24 Ca -0.01 0.40 0.09 0.00 -0.36 0.00 0.00 55.97 56.09 2oeo s LYS 24 Cb -0.01 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2oeo s LYS 24 CO 0.00 -0.41 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.85 2oeo s LEU 25 N 2.42 2.31 -0.52 5.43 1.43 1.00 -1.46 118.68 129.28 2oeo s LEU 25 Ca 0.24 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2oeo s LEU 25 Cb -0.15 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.15 2oeo s LEU 25 CO 0.09 0.08 0.81 -0.32 0.23 0.00 0.00 176.35 177.24 2oeo s MET 26 N -1.95 3.26 -0.27 1.70 -2.45 0.51 -0.51 119.30 119.58 2oeo s MET 26 Ca 0.08 -0.47 -0.04 0.00 -1.25 0.00 0.00 55.69 54.01 2oeo s MET 26 Cb -0.10 -4.05 0.02 0.00 1.25 0.00 0.00 34.83 31.94 2oeo s MET 26 CO 0.05 -1.34 0.02 -0.47 1.05 0.00 0.00 175.02 174.32 2oeo s TYR 27 N 3.39 3.11 -1.54 4.11 5.04 0.09 -2.69 117.35 128.86 2oeo s TYR 27 Ca 0.25 -1.26 -0.11 0.00 -2.44 0.00 0.00 57.07 53.51 2oeo s TYR 27 Cb -0.15 -2.16 0.08 0.00 0.35 0.00 0.00 41.96 40.08 2oeo s TYR 27 CO 0.17 -0.65 0.79 1.63 -1.34 0.00 0.00 175.55 176.15 2oeo n LYS 28 N 4.77 -4.33 -0.04 4.97 5.02 -1.26 -2.00 118.16 125.30 2oeo n LYS 28 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2oeo n LYS 28 Cb 0.47 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 2oeo n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oeo n GLY 29 N -1.64 1.34 3.19 0.72 0.00 -1.26 -5.04 105.19 102.49 2oeo n GLY 29 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2oeo n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oeo s GLN 30 N -0.53 1.33 0.30 1.61 -1.52 -0.85 -5.11 119.66 114.89 2oeo s GLN 30 Ca 0.00 -0.75 -0.29 0.00 -1.95 0.00 0.00 55.36 52.37 2oeo s GLN 30 Cb 0.00 -1.34 -0.10 0.00 -0.22 0.00 0.00 33.01 31.35 2oeo s GLN 30 CO 0.00 0.36 1.24 -1.25 -0.25 0.00 0.00 175.29 175.39 2oeo s PRO 31 N -0.77 4.45 -0.14 2.91 0.04 -1.26 -0.73 135.00 139.49 2oeo s PRO 31 Ca 0.06 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 2oeo s PRO 31 Cb -0.08 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.38 2oeo s PRO 31 CO 0.00 -0.07 0.38 1.41 0.04 0.00 0.00 177.00 178.77 2oeo s MET 32 N -1.46 0.45 -0.18 4.56 1.75 0.33 -4.90 119.30 119.85 2oeo s MET 32 Ca 0.48 0.53 -0.21 0.00 -1.25 0.00 0.00 55.69 55.25 2oeo s MET 32 Cb -0.37 0.21 -0.03 0.00 2.84 0.00 0.00 34.83 37.49 2oeo s MET 32 CO 0.47 -0.05 0.64 0.99 -0.65 0.00 0.00 175.02 176.41 2oeo s THR 33 N 0.22 5.02 -0.17 10.11 2.01 -1.26 -0.00 115.64 131.56 2oeo s THR 33 Ca -0.00 1.22 -0.05 0.00 0.31 0.00 0.00 61.69 63.16 2oeo s THR 33 Cb -0.03 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2oeo s THR 33 CO 0.00 0.13 0.00 -0.36 -0.69 0.00 0.00 174.62 173.71 2oeo s PHE 34 N 1.76 3.10 -0.20 4.92 0.40 0.93 -0.63 117.98 128.26 2oeo s PHE 34 Ca 0.30 -0.21 -0.09 0.00 -0.60 0.00 0.00 56.93 56.33 2oeo s PHE 34 Cb -0.16 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 2oeo s PHE 34 CO 0.11 -0.02 0.11 0.50 0.70 0.00 0.00 175.22 176.62 2oeo s ARG 35 N 0.51 4.09 0.11 0.44 6.06 0.48 -1.61 118.95 129.02 2oeo s ARG 35 Ca -0.01 -0.28 -0.31 0.00 -2.50 0.00 0.00 55.73 52.64 2oeo s ARG 35 Cb -0.14 -3.36 -0.08 0.00 0.06 0.00 0.00 34.95 31.43 2oeo s ARG 35 CO 0.02 0.24 1.47 -0.51 -2.50 0.00 0.00 175.30 174.02 2oeo s LEU 36 N 0.50 4.36 0.45 -0.88 1.43 -0.08 -3.24 118.68 121.21 2oeo s LEU 36 Ca 0.06 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.33 2oeo s LEU 36 Cb -0.12 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 2oeo s LEU 36 CO -0.00 -0.73 1.14 -0.76 0.23 0.00 0.00 176.35 176.23 2oeo s LEU 37 N 1.46 4.04 -0.08 1.79 1.43 -1.01 -3.88 118.68 122.43 2oeo s LEU 37 Ca 0.67 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 2oeo s LEU 37 Cb -0.38 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 41.61 2oeo s LEU 37 CO 0.30 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 176.24 2oeo n LEU 38 N -0.39 0.81 -4.28 1.79 4.77 -1.26 -4.95 117.00 113.49 2oeo n LEU 38 Ca 0.07 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 2oeo n LEU 38 Cb 0.48 -2.31 -0.10 0.00 -2.33 0.00 0.00 43.42 39.16 2oeo n LEU 38 CO 0.47 -0.90 -0.34 0.68 -1.33 0.00 0.00 177.39 175.97 2oeo s VAL 39 N -1.16 0.91 -0.22 4.08 -7.23 -1.19 -1.59 120.40 113.99 2oeo s VAL 39 Ca 0.00 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 2oeo s VAL 39 Cb 0.00 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.88 2oeo s VAL 39 CO 0.00 -0.46 0.30 -0.62 -0.31 0.00 0.00 175.10 174.01 2oeo s ASP 40 N -3.23 0.78 0.13 4.85 2.15 -0.37 -4.65 116.67 116.32 2oeo s ASP 40 Ca 0.25 0.03 -0.03 0.00 0.43 0.00 0.00 52.55 53.23 2oeo s ASP 40 Cb 0.05 0.76 -0.05 0.00 -0.30 0.00 0.00 42.92 43.38 2oeo s ASP 40 CO 0.05 -0.31 0.34 0.42 -0.17 0.00 0.00 175.17 175.50 2oeo s THR 41 N 2.44 5.22 0.67 1.71 -4.23 -1.26 -1.54 115.64 118.66 2oeo s THR 41 Ca 0.10 -0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 2oeo s THR 41 Cb -0.15 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.06 2oeo s THR 41 CO -0.14 0.04 1.15 -2.16 -0.54 0.00 0.00 174.62 172.97 2oeo s PRO 42 N -2.70 2.60 0.78 3.99 0.04 -1.26 -4.88 135.00 133.57 2oeo s PRO 42 Ca 0.39 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.87 2oeo s PRO 42 Cb -0.12 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.58 2oeo s PRO 42 CO 0.26 -1.44 1.15 -1.21 0.04 0.00 0.00 177.00 175.80 2oeo s GLU 43 N -3.94 1.93 0.44 4.56 0.41 -1.26 -4.53 118.70 116.31 2oeo s GLU 43 Ca 0.70 1.53 0.14 0.00 -0.41 0.00 0.00 54.97 56.94 2oeo s GLU 43 Cb -0.24 -1.83 1.05 0.00 -1.78 0.00 0.00 34.13 31.32 2oeo s GLU 43 CO 0.41 -1.94 1.98 0.35 -0.49 0.00 0.00 175.26 175.57 2oeo h PHE 50 N -0.87 0.42 0.00 1.61 3.57 -1.94 -0.34 116.94 119.39 2oeo h PHE 50 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2oeo h PHE 50 Cb 1.27 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2oeo h PHE 50 CO 0.51 0.20 0.00 -2.95 -2.23 0.00 0.00 178.31 173.84 2oeo h ASN 51 N 0.39 0.00 -2.82 0.41 -1.07 -1.92 -3.31 115.58 107.27 2oeo h ASN 51 Ca 0.28 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 56.18 2oeo h ASN 51 Cb 0.57 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.85 2oeo h ASN 51 CO -0.08 0.00 -0.11 -1.61 0.07 0.00 0.00 177.43 175.70 2oeo s GLU 52 N -3.21 3.23 0.25 4.14 2.02 -0.14 -5.00 118.70 120.01 2oeo s GLU 52 Ca 0.08 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.37 2oeo s GLU 52 Cb 0.11 -2.58 -0.12 0.00 0.10 0.00 0.00 34.13 31.64 2oeo s GLU 52 CO 0.53 -0.13 1.62 1.17 0.02 0.00 0.00 175.26 178.47 2oeo n LYS 53 N -2.00 2.64 -0.55 1.61 4.81 -1.26 -0.88 118.16 122.52 2oeo n LYS 53 Ca -0.01 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 2oeo n LYS 53 Cb 0.57 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.88 2oeo n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2oeo n TYR 54 N 2.80 0.00 -0.05 5.64 4.01 -1.26 -4.83 117.16 123.46 2oeo n TYR 54 Ca 0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.75 2oeo n TYR 54 Cb 0.35 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 2oeo n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2oeo h GLY 55 N 0.00 0.28 1.24 2.72 0.00 -1.13 0.33 103.07 106.52 2oeo h GLY 55 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2oeo h GLY 55 CO 0.00 0.16 0.12 -2.55 0.00 0.00 0.00 176.54 174.28 2oeo h PRO 56 N 0.08 0.94 -0.49 4.80 0.11 -1.74 -0.57 132.00 135.13 2oeo h PRO 56 Ca 0.05 -0.22 -0.06 0.00 0.11 0.00 0.00 66.00 65.89 2oeo h PRO 56 Cb 0.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2oeo h PRO 56 CO -0.00 0.86 0.08 0.93 -0.21 0.00 0.00 178.00 179.65 2oeo h GLU 57 N 0.90 0.82 -0.42 1.05 3.07 -1.91 0.86 114.58 118.95 2oeo h GLU 57 Ca 0.19 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2oeo h GLU 57 Cb 0.35 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 2oeo h GLU 57 CO 0.00 0.82 0.18 0.00 -1.40 0.00 0.00 179.01 178.62 2oeo h ALA 58 N 0.97 0.54 -0.29 3.43 0.00 -0.70 -0.88 119.26 122.32 2oeo h ALA 58 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2oeo h ALA 58 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2oeo h ALA 58 CO 0.01 0.13 0.16 0.77 0.00 0.00 0.00 179.25 180.32 2oeo h SER 59 N 0.53 0.37 -0.78 0.00 0.02 -0.90 -2.40 113.55 110.39 2oeo h SER 59 Ca 0.14 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2oeo h SER 59 Cb 0.16 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 2oeo h SER 59 CO -0.01 0.35 0.40 0.00 -1.14 0.00 0.00 176.83 176.43 2oeo h ALA 60 N 1.03 1.22 0.58 3.77 0.00 -0.63 -0.43 119.26 124.80 2oeo h ALA 60 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2oeo h ALA 60 Cb 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.55 2oeo h ALA 60 CO -0.02 0.61 -0.28 0.35 0.00 0.00 0.00 179.25 179.92 2oeo h PHE 61 N 1.11 -0.72 -0.90 0.00 3.57 -0.99 -0.41 116.94 118.59 2oeo h PHE 61 Ca 0.27 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2oeo h PHE 61 Cb 0.08 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2oeo h PHE 61 CO 0.01 -0.42 0.53 1.15 -2.23 0.00 0.00 178.31 177.35 2oeo h THR 62 N -0.85 1.25 -0.25 4.41 2.02 -1.37 -1.94 112.91 116.18 2oeo h THR 62 Ca -0.08 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2oeo h THR 62 Cb 0.62 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2oeo h THR 62 CO 0.13 0.27 0.16 0.50 0.37 0.00 0.00 175.52 176.95 2oeo h LYS 63 N 1.24 0.32 -0.70 6.66 3.64 -0.94 -1.83 116.57 124.96 2oeo h LYS 63 Ca 0.32 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2oeo h LYS 63 Cb -0.03 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2oeo h LYS 63 CO -0.06 0.21 0.14 0.00 -2.27 0.00 0.00 179.45 177.48 2oeo h ALA 64 N 1.10 0.93 -0.22 5.00 0.00 -0.86 -1.28 119.26 123.94 2oeo h ALA 64 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2oeo h ALA 64 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2oeo h ALA 64 CO -0.03 0.67 0.12 0.52 0.00 0.00 0.00 179.25 180.53 2oeo h MET 65 N 1.07 0.31 0.00 0.00 2.86 -1.09 -2.50 114.93 115.57 2oeo h MET 65 Ca 0.22 -0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.61 2oeo h MET 65 Cb 0.41 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2oeo h MET 65 CO 0.01 0.29 -1.00 -0.39 1.06 0.00 0.00 176.91 176.88 2oeo h VAL 66 N 0.24 1.72 0.01 -2.22 -1.51 -1.30 -3.06 116.25 110.12 2oeo h VAL 66 Ca 0.08 -3.42 -0.26 0.00 -1.23 0.00 0.00 66.70 61.87 2oeo h VAL 66 Cb 0.07 2.85 0.02 0.00 -2.13 0.00 0.00 31.29 32.10 2oeo h VAL 66 CO -0.01 0.98 -1.03 -0.33 -1.23 0.00 0.00 177.57 175.95 2oeo h GLU 67 N 0.00 0.62 -0.01 5.19 5.08 -1.28 -3.24 114.58 120.95 2oeo h GLU 67 Ca -0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 2oeo h GLU 67 Cb 1.77 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2oeo h GLU 67 CO 0.13 1.27 -0.04 0.09 -1.00 0.00 0.00 179.01 179.46 2oeo n ASN 68 N -3.82 0.61 -4.72 1.42 3.02 -0.94 -4.87 115.26 105.95 2oeo n ASN 68 Ca -0.10 -0.97 -0.41 0.00 -0.03 0.00 0.00 54.58 53.07 2oeo n ASN 68 Cb 0.88 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 2oeo n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oeo s ALA 69 N -2.19 3.26 -0.02 5.41 0.00 -1.16 -4.95 121.76 122.12 2oeo s ALA 69 Ca 0.38 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 2oeo s ALA 69 Cb 0.21 -3.19 -0.32 0.00 0.00 0.00 0.00 23.12 19.82 2oeo s ALA 69 CO 0.40 -0.08 0.79 0.87 0.00 0.00 0.00 175.76 177.74 2oeo h LYS 70 N 6.14 0.43 -4.79 0.00 1.57 -1.90 -3.44 116.57 114.58 2oeo h LYS 70 Ca -0.42 -0.73 -0.68 0.00 -1.87 0.00 0.00 60.65 56.94 2oeo h LYS 70 Cb 1.21 0.27 -0.29 0.00 0.08 0.00 0.00 32.23 33.50 2oeo h LYS 70 CO 0.73 1.34 -0.66 0.21 -0.57 0.00 0.00 179.45 180.51 2oeo s LYS 71 N -2.59 2.84 -0.14 3.15 2.20 -1.26 -5.02 119.74 118.92 2oeo s LYS 71 Ca -0.13 -1.01 -0.04 0.00 -0.36 0.00 0.00 55.97 54.43 2oeo s LYS 71 Cb 0.05 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 2oeo s LYS 71 CO 0.88 -0.51 -0.02 0.42 -0.36 0.00 0.00 175.35 175.76 2oeo s ILE 72 N 1.41 4.03 0.03 5.43 -1.09 -1.26 -0.90 121.20 128.85 2oeo s ILE 72 Ca 0.00 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2oeo s ILE 72 Cb -0.18 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2oeo s ILE 72 CO 0.01 0.51 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.55 2oeo s GLU 73 N 0.11 0.49 0.09 2.79 2.02 -0.66 -2.19 118.70 121.35 2oeo s GLU 73 Ca 0.00 -0.66 0.09 0.00 0.02 0.00 0.00 54.97 54.42 2oeo s GLU 73 Cb -0.13 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 2oeo s GLU 73 CO 0.02 0.05 -0.22 0.14 0.02 0.00 0.00 175.26 175.27 2oeo s VAL 74 N -1.21 2.52 -0.27 2.63 -7.23 0.55 -1.14 120.40 116.24 2oeo s VAL 74 Ca -0.09 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2oeo s VAL 74 Cb -0.09 -2.09 0.09 0.00 0.56 0.00 0.00 36.38 34.86 2oeo s VAL 74 CO 0.00 0.21 0.12 -0.70 -0.31 0.00 0.00 175.10 174.42 2oeo s GLU 75 N -1.75 0.25 0.59 4.82 2.12 0.18 -0.13 118.70 124.77 2oeo s GLU 75 Ca 0.15 -0.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.78 2oeo s GLU 75 Cb -0.10 -1.37 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 2oeo s GLU 75 CO 0.06 -0.96 1.10 -0.06 -0.54 0.00 0.00 175.26 174.86 2oeo s PHE 76 N 2.04 2.73 0.00 5.30 0.08 -1.26 -0.94 117.98 125.93 2oeo s PHE 76 Ca 0.08 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.67 2oeo s PHE 76 Cb -0.16 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2oeo s PHE 76 CO -0.31 -1.49 0.00 -3.47 -0.10 0.00 0.00 175.22 169.85 2oeo n ASP 77 N -1.85 0.00 -0.48 1.36 -0.08 -1.26 -4.64 116.55 109.60 2oeo n ASP 77 Ca 0.10 -0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.51 2oeo n ASP 77 Cb 0.52 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.47 2oeo n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2oeo n LYS 78 N -0.00 1.64 0.00 -0.67 2.85 -1.26 -4.93 118.16 115.80 2oeo n LYS 78 Ca 0.00 -0.95 0.00 0.00 -1.05 0.00 0.00 58.31 56.31 2oeo n LYS 78 Cb 0.00 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2oeo n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2oeo n GLY 79 N 1.14 4.29 3.66 2.58 0.00 -0.92 -4.96 105.19 110.97 2oeo n GLY 79 Ca 0.18 -1.04 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 2oeo n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2oeo n GLN 80 N 0.00 1.93 -0.00 1.61 7.27 -1.26 -4.93 117.38 122.00 2oeo n GLN 80 Ca 0.00 0.69 0.09 0.00 0.07 0.00 0.00 57.00 57.86 2oeo n GLN 80 Cb 0.00 -2.36 -0.13 0.00 2.41 0.00 0.00 30.24 30.16 2oeo n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2oeo n ARG 81 N 2.34 0.63 -4.00 3.69 1.74 -1.26 -4.77 116.66 115.04 2oeo n ARG 81 Ca 0.13 -0.08 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 2oeo n ARG 81 Cb 0.30 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.19 2oeo n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2oeo s THR 82 N -3.07 0.19 0.43 0.55 -4.23 -1.26 -0.02 115.64 108.23 2oeo s THR 82 Ca 0.01 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2oeo s THR 82 Cb 0.14 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.71 2oeo s THR 82 CO 0.81 -0.48 0.52 -0.90 -0.54 0.00 0.00 174.62 174.03 2oeo n ASP 83 N 1.57 1.80 0.08 3.99 5.68 -0.35 -4.92 116.55 124.39 2oeo n ASP 83 Ca -0.24 -2.24 0.06 0.00 -0.50 0.00 0.00 54.79 51.88 2oeo n ASP 83 Cb 0.55 -0.24 0.31 0.00 -1.14 0.00 0.00 41.12 40.60 2oeo n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2oeo n LYS 84 N -1.82 0.07 -0.22 0.11 2.85 -1.26 -1.27 118.16 116.62 2oeo n LYS 84 Ca 0.09 0.52 0.09 0.00 -1.05 0.00 0.00 58.31 57.96 2oeo n LYS 84 Cb 0.46 -1.72 0.21 0.00 -0.65 0.00 0.00 35.03 33.33 2oeo n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2oeo n TYR 85 N -1.87 0.58 -1.07 5.58 4.02 -1.26 -4.96 117.16 118.18 2oeo n TYR 85 Ca -0.00 -0.37 -0.02 0.00 -0.01 0.00 0.00 57.90 57.49 2oeo n TYR 85 Cb 0.05 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.35 2oeo n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2oeo n GLY 86 N 1.17 0.57 3.86 2.72 0.00 -0.39 -5.04 105.19 108.08 2oeo n GLY 86 Ca 0.17 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2oeo n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oeo s ARG 87 N -1.66 3.75 0.33 1.61 0.52 -1.26 -4.71 118.95 117.53 2oeo s ARG 87 Ca 0.00 0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 55.14 2oeo s ARG 87 Cb 0.00 -3.16 -0.09 0.00 0.52 0.00 0.00 34.95 32.22 2oeo s ARG 87 CO 0.00 0.68 1.16 0.20 0.02 0.00 0.00 175.30 177.36 2oeo s GLY 88 N -1.25 2.97 -0.34 -3.53 0.00 0.20 -1.21 107.32 104.16 2oeo s GLY 88 Ca 0.24 0.98 -0.05 0.00 0.00 0.00 0.00 44.72 45.89 2oeo s GLY 88 CO 0.12 1.55 0.09 1.08 0.00 0.00 0.00 173.10 175.94 2oeo s LEU 89 N -1.91 4.30 0.30 0.66 1.43 0.97 -0.39 118.68 124.04 2oeo s LEU 89 Ca 0.50 -1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 2oeo s LEU 89 Cb -0.32 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2oeo s LEU 89 CO 0.42 -0.33 0.67 0.00 0.23 0.00 0.00 176.35 177.34 2oeo s ALA 90 N 1.33 -0.79 -0.14 4.21 0.00 -1.20 -4.44 121.76 120.74 2oeo s ALA 90 Ca -0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 2oeo s ALA 90 Cb -0.20 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 2oeo s ALA 90 CO 0.01 -0.98 0.35 0.71 0.00 0.00 0.00 175.76 175.86 2oeo s TYR 91 N -3.54 3.50 -0.13 0.00 2.02 -0.11 -2.41 117.35 116.67 2oeo s TYR 91 Ca 0.16 0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 57.50 2oeo s TYR 91 Cb -0.04 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 2oeo s TYR 91 CO 0.09 0.25 0.09 -0.51 -1.57 0.00 0.00 175.55 173.90 2oeo s ASP 92 N 0.38 5.92 -0.07 2.29 1.11 -1.26 -0.65 116.67 124.38 2oeo s ASP 92 Ca 0.20 0.28 0.05 0.00 0.18 0.00 0.00 52.55 53.26 2oeo s ASP 92 Cb -0.14 -1.89 -0.00 0.00 1.07 0.00 0.00 42.92 41.95 2oeo s ASP 92 CO 0.06 0.33 -0.22 -0.31 1.18 0.00 0.00 175.17 176.21 2oeo s TYR 93 N -0.58 2.29 -0.27 4.23 2.02 -0.29 0.01 117.35 124.75 2oeo s TYR 93 Ca 0.11 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 2oeo s TYR 93 Cb -0.12 -1.52 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 2oeo s TYR 93 CO 0.02 -0.29 -0.09 0.00 -1.57 0.00 0.00 175.55 173.62 2oeo s ALA 94 N 0.12 2.59 -1.40 3.71 0.00 0.51 -1.64 121.76 125.63 2oeo s ALA 94 Ca -0.10 -1.83 -0.07 0.00 0.00 0.00 0.00 51.96 49.96 2oeo s ALA 94 Cb -0.15 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.39 2oeo s ALA 94 CO 0.05 -1.25 0.89 -0.25 0.00 0.00 0.00 175.76 175.20 2oeo n ASP 95 N 4.42 -3.29 0.00 0.00 10.43 -0.07 -1.88 116.55 126.15 2oeo n ASP 95 Ca -0.12 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.47 2oeo n ASP 95 Cb 0.42 -4.14 0.00 0.00 1.84 0.00 0.00 41.12 39.24 2oeo n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2oeo n GLY 96 N -1.65 2.87 3.74 0.44 0.00 -1.26 -5.02 105.19 104.32 2oeo n GLY 96 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2oeo n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oeo s ALA 97 N -1.90 3.60 -0.09 4.61 0.00 -0.79 -5.03 121.76 122.16 2oeo s ALA 97 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2oeo s ALA 97 Cb 0.00 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 2oeo s ALA 97 CO 0.00 0.14 1.17 1.41 0.00 0.00 0.00 175.76 178.48 2oeo s MET 98 N 0.27 4.34 0.15 0.00 1.75 -1.26 -0.36 119.30 124.18 2oeo s MET 98 Ca 0.19 1.62 -0.14 0.00 -1.25 0.00 0.00 55.69 56.10 2oeo s MET 98 Cb -0.14 -3.59 0.02 0.00 2.84 0.00 0.00 34.83 33.97 2oeo s MET 98 CO 0.06 -0.47 1.70 0.28 -0.65 0.00 0.00 175.02 175.93 2oeo h VAL 99 N 5.11 1.21 -0.27 10.11 2.07 -0.79 -1.54 116.25 132.16 2oeo h VAL 99 Ca -0.32 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2oeo h VAL 99 Cb 1.15 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2oeo h VAL 99 CO 0.89 0.24 -0.13 0.78 0.02 0.00 0.00 177.57 179.38 2oeo h ASN 100 N 0.62 -0.44 -0.37 0.57 4.21 -1.92 -1.58 115.58 116.67 2oeo h ASN 100 Ca 0.16 0.11 -0.06 0.00 1.21 0.00 0.00 56.30 57.72 2oeo h ASN 100 Cb 0.20 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 2oeo h ASN 100 CO -0.01 -0.17 0.01 -0.08 -1.29 0.00 0.00 177.43 175.89 2oeo h GLU 101 N -0.10 0.65 -0.84 0.81 4.81 -1.90 -2.89 114.58 115.13 2oeo h GLU 101 Ca 0.14 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2oeo h GLU 101 Cb 0.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2oeo h GLU 101 CO -0.33 0.75 0.55 0.00 -0.73 0.00 0.00 179.01 179.26 2oeo h ALA 102 N 0.88 1.07 -0.44 2.92 0.00 -1.01 -0.45 119.26 122.24 2oeo h ALA 102 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2oeo h ALA 102 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2oeo h ALA 102 CO 0.02 0.45 0.17 -0.07 0.00 0.00 0.00 179.25 179.82 2oeo h LEU 103 N 1.12 0.61 -0.61 0.00 3.38 -1.28 -2.28 115.31 116.25 2oeo h LEU 103 Ca 0.31 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2oeo h LEU 103 Cb -0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2oeo h LEU 103 CO -0.07 0.62 -0.06 0.58 0.09 0.00 0.00 178.44 179.59 2oeo h VAL 104 N 0.56 1.27 -0.09 1.22 2.07 -1.28 -0.39 116.25 119.60 2oeo h VAL 104 Ca 0.14 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2oeo h VAL 104 Cb 0.20 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2oeo h VAL 104 CO -0.01 0.43 -0.14 -0.09 0.02 0.00 0.00 177.57 177.79 2oeo h ARG 105 N 0.94 0.14 -0.00 1.57 9.65 -0.93 -1.88 114.38 123.87 2oeo h ARG 105 Ca 0.16 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2oeo h ARG 105 Cb 0.62 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 2oeo h ARG 105 CO 0.04 0.29 -0.22 1.04 2.80 0.00 0.00 179.97 183.92 2oeo n GLN 106 N -4.30 0.59 -1.31 0.20 1.13 -0.87 -4.37 117.38 108.44 2oeo n GLN 106 Ca -0.01 -0.28 -0.03 0.00 -1.94 0.00 0.00 57.00 54.73 2oeo n GLN 106 Cb 0.25 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 2oeo n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oeo n GLY 107 N 1.35 0.55 0.53 1.08 0.00 -0.71 -4.37 105.19 103.63 2oeo n GLY 107 Ca 0.12 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.37 2oeo n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oeo n LEU 108 N -0.41 1.94 -3.75 0.99 4.77 -0.20 -2.09 117.00 118.25 2oeo n LEU 108 Ca -0.04 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.15 2oeo n LEU 108 Cb 0.20 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 2oeo n LEU 108 CO 0.05 0.35 0.03 0.00 -1.33 0.00 0.00 177.39 176.48 2oeo s ALA 109 N -2.33 -0.85 0.03 -1.18 0.00 -1.15 -4.27 121.76 112.01 2oeo s ALA 109 Ca 0.24 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 2oeo s ALA 109 Cb 0.19 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2oeo s ALA 109 CO 0.48 -0.21 0.13 0.00 0.00 0.00 0.00 175.76 176.16 2oeo s ALA 110 N -0.51 3.76 -0.01 0.00 0.00 -0.59 -4.31 121.76 120.10 2oeo s ALA 110 Ca -0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.72 2oeo s ALA 110 Cb -0.04 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 2oeo s ALA 110 CO 0.02 0.75 1.45 0.08 0.00 0.00 0.00 175.76 178.06 2oeo s VAL 111 N -1.34 3.68 0.32 0.00 1.01 -1.26 -1.24 120.40 121.57 2oeo s VAL 111 Ca 0.28 1.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 2oeo s VAL 111 Cb -0.12 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2oeo s VAL 111 CO 0.20 -0.02 0.71 0.00 0.00 0.00 0.00 175.10 175.99 2oeo s ALA 112 N 2.71 -0.80 -1.50 5.51 0.00 -0.62 -4.89 121.76 122.17 2oeo s ALA 112 Ca 0.65 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 2oeo s ALA 112 Cb -0.32 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.69 2oeo s ALA 112 CO 0.26 -0.98 0.75 0.66 0.00 0.00 0.00 175.76 176.45 2oeo n TYR 113 N -0.49 -1.94 -2.84 0.00 4.02 -1.26 -3.19 117.16 111.46 2oeo n TYR 113 Ca -0.05 0.83 -0.43 0.00 -0.01 0.00 0.00 57.90 58.24 2oeo n TYR 113 Cb 0.60 -3.78 -0.04 0.00 -0.02 0.00 0.00 39.34 36.10 2oeo n TYR 113 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2oeo s VAL 114 N -3.54 4.29 -0.14 -0.72 -7.23 -1.26 -4.30 120.40 107.51 2oeo s VAL 114 Ca 0.39 -0.27 -0.07 0.00 -1.81 0.00 0.00 61.98 60.21 2oeo s VAL 114 Cb -0.20 -4.69 -0.04 0.00 0.56 0.00 0.00 36.38 32.01 2oeo s VAL 114 CO 0.86 -1.46 0.12 -0.31 -0.31 0.00 0.00 175.10 174.01 2oeo s TYR 115 N 4.15 3.48 0.37 2.82 1.51 -1.26 -5.01 117.35 123.42 2oeo s TYR 115 Ca 0.23 0.41 0.14 0.00 -1.01 0.00 0.00 57.07 56.84 2oeo s TYR 115 Cb -0.16 -2.00 0.98 0.00 -0.11 0.00 0.00 41.96 40.67 2oeo s TYR 115 CO 0.11 0.55 1.80 0.77 -1.11 0.00 0.00 175.55 177.67 2oeo h SER 116 N 5.59 0.55 0.22 2.29 0.02 -1.98 -0.87 113.55 119.36 2oeo h SER 116 Ca -0.49 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2oeo h SER 116 Cb 1.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2oeo h SER 116 CO 0.64 0.17 -0.16 1.23 -1.14 0.00 0.00 176.83 177.56 2oeo h GLY 117 N 0.52 0.00 -6.07 -3.77 0.00 -1.98 -3.29 103.07 88.49 2oeo h GLY 117 Ca 0.55 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.30 2oeo h GLY 117 CO -0.29 0.00 -0.86 0.70 0.00 0.00 0.00 176.54 176.10 2oeo n ASN 118 N -4.14 2.02 -0.65 0.19 3.02 -0.34 -2.16 115.26 113.19 2oeo n ASN 118 Ca -0.02 -3.09 0.05 0.00 -0.03 0.00 0.00 54.58 51.49 2oeo n ASN 118 Cb 0.24 -0.65 0.09 0.00 -0.61 0.00 0.00 39.78 38.85 2oeo n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2oeo n ASN 119 N 1.05 1.27 -0.30 6.41 2.04 -1.18 -4.45 115.26 120.11 2oeo n ASN 119 Ca 0.26 -2.75 0.03 0.00 -0.44 0.00 0.00 54.58 51.67 2oeo n ASN 119 Cb 0.47 -0.37 0.16 0.00 -2.53 0.00 0.00 39.78 37.52 2oeo n ASN 119 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 2oeo h THR 120 N 3.71 0.95 -0.59 5.53 2.02 -1.91 -2.49 112.91 120.12 2oeo h THR 120 Ca -0.06 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2oeo h THR 120 Cb 1.32 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2oeo h THR 120 CO 0.02 0.16 0.02 1.41 0.37 0.00 0.00 175.52 177.51 2oeo n HIS 121 N -4.70 2.14 0.04 3.16 8.25 -1.26 -4.65 115.22 118.20 2oeo n HIS 121 Ca 0.14 -0.77 -0.11 0.00 -0.26 0.00 0.00 57.72 56.72 2oeo n HIS 121 Cb 0.25 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 2oeo n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2oeo h GLU 122 N 3.91 -0.31 -0.69 -0.41 4.81 -1.82 -1.87 114.58 118.20 2oeo h GLU 122 Ca 0.02 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2oeo h GLU 122 Cb 2.03 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.44 2oeo h GLU 122 CO 0.52 -0.21 0.45 1.96 -0.73 0.00 0.00 179.01 181.00 2oeo h GLN 123 N -0.32 0.88 -0.59 1.92 7.50 -1.83 -0.28 115.11 122.39 2oeo h GLN 123 Ca 0.08 -0.05 0.06 0.00 0.50 0.00 0.00 58.65 59.24 2oeo h GLN 123 Cb 0.43 -0.20 -0.06 0.00 0.05 0.00 0.00 27.48 27.70 2oeo h GLN 123 CO -0.24 0.58 0.29 1.25 -1.50 0.00 0.00 178.83 179.22 2oeo h LEU 124 N 0.91 0.39 -0.42 1.46 5.85 -1.82 -1.42 115.31 120.27 2oeo h LEU 124 Ca 0.26 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 2oeo h LEU 124 Cb -0.08 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2oeo h LEU 124 CO -0.07 0.25 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.50 2oeo h LEU 125 N 0.54 0.48 -1.05 2.25 3.38 -0.91 -2.70 115.31 117.30 2oeo h LEU 125 Ca 0.27 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2oeo h LEU 125 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2oeo h LEU 125 CO -0.21 1.05 -0.46 0.03 0.09 0.00 0.00 178.44 178.94 2oeo h ARG 126 N 0.28 0.00 -0.27 1.13 3.08 -0.76 -1.04 114.38 116.80 2oeo h ARG 126 Ca -0.03 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 2oeo h ARG 126 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 2oeo h ARG 126 CO 0.12 0.46 -0.49 0.00 -1.07 0.00 0.00 179.97 179.00 2oeo h ALA 127 N 1.54 0.63 -0.28 0.04 0.00 -1.20 -1.35 119.26 118.64 2oeo h ALA 127 Ca -0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2oeo h ALA 127 Cb 0.84 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2oeo h ALA 127 CO 0.06 0.68 -0.39 0.00 0.00 0.00 0.00 179.25 179.59 2oeo h ALA 128 N 0.87 0.79 -0.40 0.00 0.00 -1.14 -2.84 119.26 116.54 2oeo h ALA 128 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2oeo h ALA 128 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2oeo h ALA 128 CO 0.10 0.65 -0.28 1.49 0.00 0.00 0.00 179.25 181.21 2oeo h GLU 129 N 0.54 0.90 -0.57 0.00 4.81 -1.06 -1.89 114.58 117.29 2oeo h GLU 129 Ca 0.05 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 2oeo h GLU 129 Cb 0.91 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2oeo h GLU 129 CO 0.08 1.08 0.24 0.00 -0.73 0.00 0.00 179.01 179.68 2oeo h ALA 130 N 0.80 1.34 -0.12 2.92 0.00 -1.21 -0.04 119.26 122.95 2oeo h ALA 130 Ca 0.08 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 2oeo h ALA 130 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2oeo h ALA 130 CO 0.08 0.50 -0.64 0.37 0.00 0.00 0.00 179.25 179.55 2oeo h GLN 131 N 0.82 0.45 -0.53 0.00 5.75 -1.37 -1.30 115.11 118.93 2oeo h GLN 131 Ca 0.20 -0.33 -0.09 0.00 -0.15 0.00 0.00 58.65 58.28 2oeo h GLN 131 Cb 0.15 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2oeo h GLN 131 CO -0.02 0.95 -0.03 0.00 -2.65 0.00 0.00 178.83 177.07 2oeo h ALA 132 N 0.97 0.94 -0.13 3.38 0.00 -0.80 -2.00 119.26 121.62 2oeo h ALA 132 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2oeo h ALA 132 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2oeo h ALA 132 CO 0.11 0.63 0.03 0.87 0.00 0.00 0.00 179.25 180.90 2oeo h LYS 133 N 0.85 0.21 -0.95 0.00 1.57 -0.83 -1.72 116.57 115.69 2oeo h LYS 133 Ca 0.15 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2oeo h LYS 133 Cb 0.55 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2oeo h LYS 133 CO 0.03 0.36 0.62 0.87 -0.57 0.00 0.00 179.45 180.76 2oeo h LYS 134 N 0.02 1.08 -0.02 3.15 1.57 -1.07 -0.99 116.57 120.31 2oeo h LYS 134 Ca 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2oeo h LYS 134 Cb 0.24 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2oeo h LYS 134 CO -0.00 0.72 0.00 0.39 -0.57 0.00 0.00 179.45 179.99 2oeo n GLU 135 N -4.49 1.29 -3.85 3.15 1.02 -0.77 -4.94 120.64 112.06 2oeo n GLU 135 Ca 0.14 -0.42 -0.24 0.00 -0.02 0.00 0.00 57.16 56.63 2oeo n GLU 135 Cb 0.18 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2oeo n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2oeo n LYS 136 N -0.47 -3.87 -3.27 3.49 5.02 -0.38 -4.95 118.16 113.74 2oeo n LYS 136 Ca 0.20 0.49 -0.38 0.00 -2.02 0.00 0.00 58.31 56.60 2oeo n LYS 136 Cb 0.21 -4.77 -0.06 0.00 -0.02 0.00 0.00 35.03 30.39 2oeo n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2oeo s LEU 137 N -6.84 4.38 0.00 -0.35 1.43 -0.72 -3.51 118.68 113.08 2oeo s LEU 137 Ca 0.01 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2oeo s LEU 137 Cb -0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2oeo s LEU 137 CO 0.86 0.10 0.00 0.59 0.23 0.00 0.00 176.35 178.12 2oeo n ASN 138 N 2.91 0.00 0.30 2.29 4.13 -1.26 -1.22 115.26 122.41 2oeo n ASN 138 Ca -0.08 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.37 2oeo n ASN 138 Cb 0.51 0.00 0.93 0.00 -1.54 0.00 0.00 39.78 39.68 2oeo n ASN 138 CO 0.00 0.00 0.00 0.16 0.28 0.00 0.00 177.26 177.70 2oeo h ILE 139 N 0.00 0.16 -0.18 2.41 3.07 -1.75 -2.27 117.51 118.95 2oeo h ILE 139 Ca 0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2oeo h ILE 139 Cb 0.00 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2oeo h ILE 139 CO 0.00 0.03 0.00 0.79 -1.05 0.00 0.00 178.15 177.92 2oeo n TRP 140 N -3.25 0.21 0.01 0.16 7.02 -0.36 -5.15 117.44 116.08 2oeo n TRP 140 Ca -0.02 -0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 2oeo n TRP 140 Cb 0.18 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.08 2oeo n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54