#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o5a n ASN 3 N 0.00 0.00 0.00 -3.46 5.15 -1.26 -5.01 115.26 110.68 2o5a n ASN 3 Ca 0.00 -0.86 0.03 0.00 -0.60 0.00 0.00 54.58 53.15 2o5a n ASN 3 Cb 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.40 2o5a n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2o5a n GLN 4 N 0.00 0.02 -0.10 1.20 6.02 -1.26 -2.81 117.38 120.45 2o5a n GLN 4 Ca 0.00 0.35 -0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2o5a n GLN 4 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 2o5a n GLN 4 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2o5a h GLU 5 N 0.00 0.57 0.11 -1.09 3.07 -1.98 0.41 114.58 115.67 2o5a h GLU 5 Ca 0.00 -0.22 -0.22 0.00 -0.50 0.00 0.00 59.36 58.42 2o5a h GLU 5 Cb 0.11 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2o5a h GLU 5 CO 0.00 0.77 -0.91 1.25 -1.40 0.00 0.00 179.01 178.72 2o5a h LEU 6 N 0.34 0.62 -0.35 1.33 6.46 -1.95 -2.81 115.31 118.95 2o5a h LEU 6 Ca 0.07 -0.87 0.03 0.00 -0.12 0.00 0.00 57.88 57.00 2o5a h LEU 6 Cb 0.57 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2o5a h LEU 6 CO 0.03 1.43 0.14 0.25 -0.62 0.00 0.00 178.44 179.67 2o5a h LEU 7 N -0.10 0.18 -1.35 2.25 5.85 -1.53 0.24 115.31 120.85 2o5a h LEU 7 Ca -0.14 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2o5a h LEU 7 Cb 1.66 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 2o5a h LEU 7 CO 0.17 0.14 -0.32 1.56 -0.34 0.00 0.00 178.44 179.65 2o5a h GLN 8 N 0.31 0.00 -0.44 1.25 4.20 -0.28 0.20 115.11 120.34 2o5a h GLN 8 Ca 0.15 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 2o5a h GLN 8 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2o5a h GLN 8 CO -0.14 0.32 -0.14 1.25 -0.67 0.00 0.00 178.83 179.46 2o5a h LEU 9 N 0.00 0.89 -0.11 1.46 5.85 -0.89 -1.89 115.31 120.62 2o5a h LEU 9 Ca -0.00 -0.37 -0.24 0.00 0.84 0.00 0.00 57.88 58.10 2o5a h LEU 9 Cb 0.60 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2o5a h LEU 9 CO 0.04 1.06 -0.91 0.00 -0.34 0.00 0.00 178.44 178.29 2o5a h ALA 10 N 0.86 0.26 -0.74 1.25 0.00 -0.05 -2.76 119.26 118.07 2o5a h ALA 10 Ca 0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2o5a h ALA 10 Cb 0.69 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2o5a h ALA 10 CO 0.05 0.70 0.44 0.28 0.00 0.00 0.00 179.25 180.72 2o5a h VAL 11 N 0.43 1.21 0.32 0.00 2.07 -0.56 -1.28 116.25 118.45 2o5a h VAL 11 Ca -0.09 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2o5a h VAL 11 Cb 1.54 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2o5a h VAL 11 CO 0.18 0.23 -0.15 0.78 0.02 0.00 0.00 177.57 178.62 2o5a h ASN 12 N 1.01 -0.36 -0.39 0.57 -0.26 -1.39 0.02 115.58 114.79 2o5a h ASN 12 Ca 0.26 -0.15 0.08 0.00 -0.56 0.00 0.00 56.30 55.93 2o5a h ASN 12 Cb -0.02 0.09 -0.09 0.00 -1.06 0.00 0.00 38.32 37.24 2o5a h ASN 12 CO -0.05 -0.03 -0.35 0.00 -1.06 0.00 0.00 177.43 175.95 2o5a h ALA 13 N -0.16 -0.25 0.00 -0.83 0.00 -1.39 0.49 119.26 117.11 2o5a h ALA 13 Ca -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2o5a h ALA 13 Cb 0.49 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2o5a h ALA 13 CO 0.07 -0.76 -0.01 0.28 0.00 0.00 0.00 179.25 178.83 2o5a h VAL 14 N -0.28 0.94 0.02 0.00 2.07 -1.23 -2.37 116.25 115.39 2o5a h VAL 14 Ca 0.16 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 67.44 2o5a h VAL 14 Cb 0.55 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2o5a h VAL 14 CO -0.54 0.01 -0.94 0.44 0.02 0.00 0.00 177.57 176.57 2o5a h ASP 15 N 0.00 0.13 0.22 0.57 5.19 0.18 -2.33 116.42 120.37 2o5a h ASP 15 Ca -0.00 -0.12 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 2o5a h ASP 15 Cb 0.02 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2o5a h ASP 15 CO 0.00 0.99 -0.17 0.44 -3.12 0.00 0.00 179.24 177.38 2o5a h ASP 16 N 0.04 0.00 -0.32 6.45 3.45 0.07 -2.23 116.42 123.88 2o5a h ASP 16 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2o5a h ASP 16 Cb 1.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.39 2o5a h ASP 16 CO 0.13 0.17 0.00 0.29 -1.57 0.00 0.00 179.24 178.26 2o5a n LYS 17 N -4.16 2.08 -2.00 3.56 4.76 -1.21 -4.95 118.16 116.24 2o5a n LYS 17 Ca -0.02 -1.64 -0.07 0.00 -2.87 0.00 0.00 58.31 53.70 2o5a n LYS 17 Cb 0.24 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 2o5a n LYS 17 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2o5a n LYS 18 N 0.85 -0.57 -1.83 1.97 4.76 -0.84 -4.86 118.16 117.64 2o5a n LYS 18 Ca 0.17 0.42 -0.42 0.00 -2.87 0.00 0.00 58.31 55.61 2o5a n LYS 18 Cb 0.44 -4.31 -0.02 0.00 -1.84 0.00 0.00 35.03 29.30 2o5a n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2o5a s ALA 19 N -2.35 3.76 0.20 7.82 0.00 -0.88 -4.98 121.76 125.33 2o5a s ALA 19 Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2o5a s ALA 19 Cb 0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2o5a s ALA 19 CO 0.00 -0.91 0.38 -1.21 0.00 0.00 0.00 175.76 174.02 2o5a s GLU 20 N -0.04 3.49 -1.32 0.00 2.02 -0.89 -4.56 118.70 117.41 2o5a s GLU 20 Ca 0.65 -0.44 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 2o5a s GLU 20 Cb -0.46 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2o5a s GLU 20 CO 0.43 0.41 0.72 1.04 0.02 0.00 0.00 175.26 177.88 2o5a n GLN 21 N -0.79 -4.96 -2.06 1.61 6.02 -1.26 -2.11 117.38 113.84 2o5a n GLN 21 Ca -0.06 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.13 2o5a n GLN 21 Cb 0.54 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.58 2o5a n GLN 21 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2o5a s VAL 22 N -3.65 3.35 -0.03 5.09 1.01 -1.26 -4.28 120.40 120.64 2o5a s VAL 22 Ca 0.05 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.79 2o5a s VAL 22 Cb -0.02 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2o5a s VAL 22 CO 0.81 -0.01 -0.02 -0.69 0.00 0.00 0.00 175.10 175.20 2o5a s VAL 23 N 2.60 0.28 -0.02 2.92 1.01 0.22 -4.98 120.40 122.45 2o5a s VAL 23 Ca 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2o5a s VAL 23 Cb -0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2o5a s VAL 23 CO 0.30 0.15 0.08 0.00 0.00 0.00 0.00 175.10 175.62 2o5a s ALA 24 N 0.72 3.57 -0.12 5.51 0.00 -1.26 0.12 121.76 130.30 2o5a s ALA 24 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2o5a s ALA 24 Cb -0.11 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2o5a s ALA 24 CO -0.01 0.68 -0.14 -0.51 0.00 0.00 0.00 175.76 175.77 2o5a s LEU 25 N -1.62 1.68 1.03 0.00 1.43 0.14 -1.92 118.68 119.42 2o5a s LEU 25 Ca 0.22 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 2o5a s LEU 25 Cb -0.12 -1.11 0.22 0.00 0.03 0.00 0.00 46.19 45.22 2o5a s LEU 25 CO 0.12 -0.02 1.25 0.21 0.23 0.00 0.00 176.35 178.15 2o5a s ASN 26 N 1.20 2.50 0.00 2.29 3.84 -0.54 -1.04 114.94 123.19 2o5a s ASN 26 Ca -0.02 0.41 0.00 0.00 0.21 0.00 0.00 52.86 53.46 2o5a s ASN 26 Cb -0.14 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.02 2o5a s ASN 26 CO -0.05 -3.13 0.00 1.17 -2.79 0.00 0.00 177.10 172.30 2o5a n LYS 28 N -4.06 0.00 0.00 0.43 4.81 -1.26 -4.80 118.16 113.28 2o5a n LYS 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2o5a n LYS 28 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2o5a n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2o5a n GLY 29 N 0.00 0.57 0.83 3.14 0.00 -1.26 -4.90 105.19 103.57 2o5a n GLY 29 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2o5a n GLY 29 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2o5a n ILE 30 N -1.28 0.33 -4.55 -0.61 2.08 -1.26 -5.08 119.36 108.99 2o5a n ILE 30 Ca 0.00 -0.07 -0.28 0.00 0.56 0.00 0.00 62.75 62.97 2o5a n ILE 30 Cb 0.00 -1.58 -0.10 0.00 -0.75 0.00 0.00 39.64 37.21 2o5a n ILE 30 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2o5a s SER 31 N -5.51 3.99 -0.54 4.38 0.15 -1.26 -5.17 113.70 109.74 2o5a s SER 31 Ca -0.08 -1.34 0.07 0.00 0.70 0.00 0.00 55.95 55.30 2o5a s SER 31 Cb 0.03 -0.35 0.28 0.00 -1.71 0.00 0.00 66.02 64.27 2o5a s SER 31 CO 0.10 -0.49 0.73 0.18 1.20 0.00 0.00 173.24 174.95 2o5a n LEU 32 N -1.03 2.70 0.00 3.45 4.77 -1.26 -4.78 117.00 120.84 2o5a n LEU 32 Ca -0.05 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.67 2o5a n LEU 32 Cb 0.67 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2o5a n LEU 32 CO 0.48 2.15 0.00 0.47 -1.33 0.00 0.00 177.39 179.16 2o5a n ASP 35 N 0.70 0.00 -4.02 -1.43 9.92 -1.09 -5.11 116.55 115.51 2o5a n ASP 35 Ca 0.27 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.37 2o5a n ASP 35 Cb 0.46 0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.88 2o5a n ASP 35 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2o5a s PHE 36 N -1.70 0.69 -0.18 1.24 0.08 -0.93 -3.98 117.98 113.20 2o5a s PHE 36 Ca 0.00 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.81 2o5a s PHE 36 Cb 0.00 -0.43 0.04 0.00 -0.57 0.00 0.00 43.02 42.06 2o5a s PHE 36 CO 0.00 -0.02 -0.10 -0.06 -0.10 0.00 0.00 175.22 174.93 2o5a s PHE 37 N -0.56 2.19 -0.26 0.36 0.40 -0.21 -1.54 117.98 118.36 2o5a s PHE 37 Ca -0.01 -1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 54.85 2o5a s PHE 37 Cb -0.05 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 2o5a s PHE 37 CO 0.00 -0.69 0.16 -1.17 0.70 0.00 0.00 175.22 174.22 2o5a s LEU 38 N 1.47 3.98 0.03 -0.37 2.96 0.11 0.27 118.68 127.13 2o5a s LEU 38 Ca 0.01 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 2o5a s LEU 38 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2o5a s LEU 38 CO -0.09 0.01 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.17 2o5a s ILE 39 N 1.39 3.03 0.15 6.68 1.01 0.33 0.59 121.20 134.38 2o5a s ILE 39 Ca 0.07 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.42 2o5a s ILE 39 Cb -0.15 -2.28 0.08 0.00 0.01 0.00 0.00 42.46 40.12 2o5a s ILE 39 CO 0.07 0.36 1.08 0.00 0.00 0.00 0.00 174.94 176.45 2o5a s HIS 41 N -2.22 0.03 0.29 0.00 -3.43 -0.89 -1.10 115.29 107.96 2o5a s HIS 41 Ca 0.22 -0.39 0.10 0.00 -0.80 0.00 0.00 55.06 54.18 2o5a s HIS 41 Cb -0.02 0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 31.21 2o5a s HIS 41 CO 0.04 -0.69 -0.02 0.20 -2.00 0.00 0.00 174.74 172.27 2o5a s GLY 42 N -2.86 1.80 0.00 -1.38 0.00 0.13 -2.09 107.32 102.91 2o5a s GLY 42 Ca 0.07 -1.77 0.26 0.00 0.00 0.00 0.00 44.72 43.28 2o5a s GLY 42 CO -0.08 -1.80 1.49 0.70 0.00 0.00 0.00 173.10 173.41 2o5a n ASN 43 N -0.89 1.75 -3.62 1.64 3.02 -1.26 0.34 115.26 116.25 2o5a n ASN 43 Ca -0.05 -1.43 -0.10 0.00 -0.03 0.00 0.00 54.58 52.96 2o5a n ASN 43 Cb 0.60 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 2o5a n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2o5a s SER 44 N -2.22 -0.34 0.51 6.41 1.04 -1.26 -4.81 113.70 113.01 2o5a s SER 44 Ca 0.29 -0.29 0.26 0.00 0.48 0.00 0.00 55.95 56.68 2o5a s SER 44 Cb 0.20 0.56 1.36 0.00 0.10 0.00 0.00 66.02 68.23 2o5a s SER 44 CO 0.42 -0.98 2.04 -0.33 0.98 0.00 0.00 173.24 175.37 2o5a h GLU 45 N 2.18 0.00 -0.05 4.02 5.08 -1.92 -0.64 114.58 123.25 2o5a h GLU 45 Ca -0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.83 2o5a h GLU 45 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2o5a h GLU 45 CO 0.40 0.14 -0.86 -0.22 -1.00 0.00 0.00 179.01 177.47 2o5a h LYS 46 N 0.00 0.51 -0.08 2.33 3.64 -1.96 -2.56 116.57 118.45 2o5a h LYS 46 Ca -0.00 -0.49 -0.19 0.00 -1.27 0.00 0.00 60.65 58.70 2o5a h LYS 46 Cb 0.38 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2o5a h LYS 46 CO 0.02 1.12 -0.74 0.37 -2.27 0.00 0.00 179.45 177.94 2o5a h GLN 47 N 0.32 0.44 -0.64 1.90 4.15 -1.77 -1.86 115.11 117.66 2o5a h GLN 47 Ca -0.07 -0.37 -0.06 0.00 0.77 0.00 0.00 58.65 58.93 2o5a h GLN 47 Cb 1.48 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.22 2o5a h GLN 47 CO 0.16 1.01 0.18 0.28 -1.93 0.00 0.00 178.83 178.53 2o5a h VAL 48 N 0.30 1.25 -0.04 2.39 2.07 -1.14 -2.01 116.25 119.07 2o5a h VAL 48 Ca -0.04 -0.88 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 2o5a h VAL 48 Cb 1.33 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2o5a h VAL 48 CO 0.13 0.34 -0.60 1.56 0.02 0.00 0.00 177.57 179.02 2o5a h GLN 49 N 0.93 0.13 -0.51 1.57 4.20 -1.42 -1.92 115.11 118.08 2o5a h GLN 49 Ca 0.20 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2o5a h GLN 49 Cb 0.32 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2o5a h GLN 49 CO -0.00 0.69 0.19 0.00 -0.67 0.00 0.00 178.83 179.03 2o5a h ALA 50 N 1.29 0.67 0.29 3.87 0.00 -0.99 0.18 119.26 124.57 2o5a h ALA 50 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2o5a h ALA 50 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2o5a h ALA 50 CO 0.09 0.29 -0.14 0.82 0.00 0.00 0.00 179.25 180.31 2o5a h ILE 51 N 0.69 0.74 -0.65 0.00 2.04 -1.25 -1.26 117.51 117.82 2o5a h ILE 51 Ca 0.17 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.77 2o5a h ILE 51 Cb 0.22 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2o5a h ILE 51 CO -0.01 0.07 0.43 0.00 0.00 0.00 0.00 178.15 178.65 2o5a h ALA 52 N 0.06 1.96 -0.04 1.87 0.00 -1.24 -1.75 119.26 120.13 2o5a h ALA 52 Ca -0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2o5a h ALA 52 Cb 0.42 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2o5a h ALA 52 CO 0.07 -0.11 -0.97 1.25 0.00 0.00 0.00 179.25 179.49 2o5a h HIS 53 N 0.48 1.01 -0.21 0.00 -0.00 -0.75 -2.25 115.15 113.44 2o5a h HIS 53 Ca 0.30 -0.52 -0.05 0.00 -0.00 0.00 0.00 60.37 60.10 2o5a h HIS 53 Cb 0.54 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2o5a h HIS 53 CO -0.00 1.35 -0.08 1.49 -0.00 0.00 0.00 177.93 180.69 2o5a h GLU 54 N 0.42 0.33 -0.38 5.26 4.57 -0.60 0.62 114.58 124.79 2o5a h GLU 54 Ca -0.11 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 57.85 2o5a h GLU 54 Cb 1.61 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 2o5a h GLU 54 CO 0.19 0.43 -0.38 1.25 -1.18 0.00 0.00 179.01 179.32 2o5a h LEU 55 N 0.31 0.98 -0.16 1.64 6.46 -1.30 0.32 115.31 123.57 2o5a h LEU 55 Ca 0.07 -0.47 -0.04 0.00 -0.12 0.00 0.00 57.88 57.32 2o5a h LEU 55 Cb 0.35 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2o5a h LEU 55 CO 0.02 1.25 -0.04 0.50 -0.62 0.00 0.00 178.44 179.55 2o5a h LYS 56 N 0.74 0.30 -0.25 1.25 3.64 -0.69 -0.27 116.57 121.29 2o5a h LYS 56 Ca 0.06 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2o5a h LYS 56 Cb 0.97 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2o5a h LYS 56 CO 0.09 0.58 0.05 -0.22 -2.27 0.00 0.00 179.45 177.68 2o5a h LYS 57 N -0.00 0.14 -0.32 1.90 3.64 0.29 -1.76 116.57 120.46 2o5a h LYS 57 Ca 0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2o5a h LYS 57 Cb 0.47 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2o5a h LYS 57 CO 0.02 0.09 -0.16 0.28 -2.27 0.00 0.00 179.45 177.41 2o5a h VAL 58 N 0.15 1.25 -0.20 2.00 2.07 -0.89 -2.74 116.25 117.88 2o5a h VAL 58 Ca 0.12 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 2o5a h VAL 58 Cb 0.12 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2o5a h VAL 58 CO -0.15 0.37 -0.18 0.00 0.02 0.00 0.00 177.57 177.62 2o5a h ALA 59 N 1.32 1.33 0.00 1.67 0.00 -0.51 -2.27 119.26 120.80 2o5a h ALA 59 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2o5a h ALA 59 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2o5a h ALA 59 CO 0.04 0.45 -0.24 1.96 0.00 0.00 0.00 179.25 181.47 2o5a h GLN 60 N 0.31 0.00 0.03 0.00 4.20 -1.12 0.54 115.11 119.06 2o5a h GLN 60 Ca 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2o5a h GLN 60 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2o5a h GLN 60 CO 0.03 0.00 -0.21 0.93 -0.67 0.00 0.00 178.83 178.91 2o5a h GLU 61 N 0.00 0.06 0.00 1.46 5.08 -1.17 -3.25 114.58 116.76 2o5a h GLU 61 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2o5a h GLU 61 Cb 0.79 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2o5a h GLU 61 CO 0.00 1.05 0.00 0.94 -1.00 0.00 0.00 179.01 180.00 2o5a n GLN 62 N -4.51 0.22 -2.89 2.33 -0.06 -0.89 -4.90 117.38 106.69 2o5a n GLN 62 Ca -0.12 0.09 -0.10 0.00 -2.00 0.00 0.00 57.00 54.88 2o5a n GLN 62 Cb 0.56 -1.50 0.04 0.00 -4.06 0.00 0.00 30.24 25.27 2o5a n GLN 62 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2o5a n GLY 63 N 0.62 0.22 3.64 1.69 0.00 -0.95 -5.03 105.19 105.37 2o5a n GLY 63 Ca 0.09 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2o5a n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o5a s ILE 64 N -3.15 4.80 -0.10 -0.61 1.01 0.19 -5.01 121.20 118.32 2o5a s ILE 64 Ca 0.18 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2o5a s ILE 64 Cb -0.08 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2o5a s ILE 64 CO 0.33 0.46 1.14 -1.61 0.00 0.00 0.00 174.94 175.26 2o5a s GLU 65 N 0.37 4.35 -0.43 2.79 0.41 -1.26 -4.49 118.70 120.43 2o5a s GLU 65 Ca 0.03 1.57 -0.25 0.00 -0.41 0.00 0.00 54.97 55.92 2o5a s GLU 65 Cb -0.12 -3.59 0.02 0.00 -1.78 0.00 0.00 34.13 28.66 2o5a s GLU 65 CO 0.00 -0.46 0.87 0.42 -0.49 0.00 0.00 175.26 175.60 2o5a s ILE 66 N 2.40 4.57 0.09 -1.63 1.01 -1.26 -4.59 121.20 121.78 2o5a s ILE 66 Ca 0.53 0.74 -0.12 0.00 0.00 0.00 0.00 60.65 61.80 2o5a s ILE 66 Cb -0.22 -4.36 -0.19 0.00 0.01 0.00 0.00 42.46 37.70 2o5a s ILE 66 CO 0.19 -0.71 1.25 0.11 0.00 0.00 0.00 174.94 175.78 2o5a h LYS 67 N 8.89 0.71 -3.78 2.79 1.57 -0.61 -3.47 116.57 122.67 2o5a h LYS 67 Ca -0.24 -0.68 -0.12 0.00 -1.87 0.00 0.00 60.65 57.74 2o5a h LYS 67 Cb 1.08 0.17 -0.18 0.00 0.08 0.00 0.00 32.23 33.39 2o5a h LYS 67 CO 0.99 1.27 -0.51 1.03 -0.57 0.00 0.00 179.45 181.66 2o5a s ARG 68 N -3.49 0.60 -0.30 3.15 0.52 -1.14 -4.94 118.95 113.35 2o5a s ARG 68 Ca -0.09 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2o5a s ARG 68 Cb 0.08 0.24 0.19 0.00 0.52 0.00 0.00 34.95 35.98 2o5a s ARG 68 CO 0.91 -0.15 0.59 -1.17 0.02 0.00 0.00 175.30 175.50 2o5a s LEU 69 N -2.12 -1.45 0.03 2.53 0.20 -1.21 0.22 118.68 116.88 2o5a s LEU 69 Ca -0.05 0.65 0.03 0.00 0.69 0.00 0.00 54.13 55.45 2o5a s LEU 69 Cb -0.01 2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 47.84 2o5a s LEU 69 CO -0.05 -0.27 -0.10 -1.61 -0.29 0.00 0.00 176.35 174.03 2o5a s GLU 70 N 2.85 0.69 -0.02 1.98 2.02 -0.47 -4.81 118.70 120.92 2o5a s GLU 70 Ca 0.17 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2o5a s GLU 70 Cb -0.13 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.48 2o5a s GLU 70 CO -0.23 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2o5a n GLY 71 N 1.98 0.43 0.10 -1.39 0.00 -1.26 -1.00 105.19 104.05 2o5a n GLY 71 Ca -0.18 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2o5a n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2o5a h TYR 72 N 0.00 -0.15 -0.02 1.61 3.20 -1.87 -1.14 116.97 118.60 2o5a h TYR 72 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2o5a h TYR 72 Cb 0.02 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 2o5a h TYR 72 CO 0.01 0.12 -0.24 0.93 -1.64 0.00 0.00 178.16 177.34 2o5a h GLU 73 N -0.41 -0.35 -0.13 1.82 5.08 -1.99 -2.23 114.58 116.37 2o5a h GLU 73 Ca -0.02 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2o5a h GLU 73 Cb 0.34 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2o5a h GLU 73 CO 0.03 -0.23 -0.10 1.96 -1.00 0.00 0.00 179.01 179.66 2o5a h GLN 74 N -0.36 0.20 -6.21 2.33 7.50 -1.98 -3.47 115.11 113.12 2o5a h GLN 74 Ca 0.07 -0.04 -0.46 0.00 0.50 0.00 0.00 58.65 58.72 2o5a h GLN 74 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.95 2o5a h GLN 74 CO -0.23 0.32 -0.75 0.00 -1.50 0.00 0.00 178.83 176.68 2o5a n ALA 75 N -2.49 -1.32 -0.06 3.87 0.00 -0.43 -4.86 120.51 115.22 2o5a n ALA 75 Ca -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 2o5a n ALA 75 Cb 0.24 -4.59 -0.06 0.00 0.00 0.00 0.00 19.45 15.03 2o5a n ALA 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o5a n ARG 76 N -4.74 0.72 -3.29 0.00 5.12 -1.26 -4.56 116.66 108.67 2o5a n ARG 76 Ca 0.02 0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.92 2o5a n ARG 76 Cb 0.54 -1.25 -0.05 0.00 -1.16 0.00 0.00 32.46 30.54 2o5a n ARG 76 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 2o5a s TRP 77 N -2.25 -1.02 -0.19 -1.55 -0.11 -1.26 -1.60 118.94 110.97 2o5a s TRP 77 Ca -0.15 -0.06 -0.15 0.00 1.22 0.00 0.00 56.10 56.96 2o5a s TRP 77 Cb 0.04 -0.08 -0.04 0.00 -1.50 0.00 0.00 33.47 31.89 2o5a s TRP 77 CO 0.32 -1.04 0.35 0.08 -4.62 0.00 0.00 176.95 172.03 2o5a s VAL 78 N 1.96 5.25 -0.21 5.86 1.01 -0.49 -4.32 120.40 129.47 2o5a s VAL 78 Ca 0.14 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 2o5a s VAL 78 Cb -0.11 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2o5a s VAL 78 CO -0.14 0.31 -0.05 -0.22 0.00 0.00 0.00 175.10 175.00 2o5a s LEU 79 N 0.97 2.89 -0.33 3.92 0.20 -0.17 -0.99 118.68 125.17 2o5a s LEU 79 Ca 0.18 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.62 2o5a s LEU 79 Cb -0.14 -1.73 0.08 0.00 -0.43 0.00 0.00 46.19 43.97 2o5a s LEU 79 CO 0.06 0.01 0.05 -0.63 -0.29 0.00 0.00 176.35 175.55 2o5a s ILE 80 N 1.30 2.85 -0.46 6.68 1.09 -0.35 -1.37 121.20 130.94 2o5a s ILE 80 Ca 0.04 -1.75 -0.24 0.00 -1.10 0.00 0.00 60.65 57.59 2o5a s ILE 80 Cb -0.14 -2.80 0.03 0.00 -1.06 0.00 0.00 42.46 38.48 2o5a s ILE 80 CO -0.02 -0.33 0.86 -0.62 -0.10 0.00 0.00 174.94 174.72 2o5a s ASP 81 N 1.33 6.46 -0.01 3.58 -1.08 0.13 -1.31 116.67 125.77 2o5a s ASP 81 Ca 0.01 0.01 0.18 0.00 -0.52 0.00 0.00 52.55 52.22 2o5a s ASP 81 Cb -0.20 -2.42 0.53 0.00 -1.46 0.00 0.00 42.92 39.37 2o5a s ASP 81 CO -0.04 -0.98 1.44 0.18 0.52 0.00 0.00 175.17 176.29 2o5a n LEU 82 N 6.94 3.65 0.00 -1.34 4.77 -0.12 0.18 117.00 131.08 2o5a n LEU 82 Ca 0.04 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2o5a n LEU 82 Cb 0.48 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2o5a n LEU 82 CO 0.61 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 2o5a n GLY 83 N 1.18 0.93 0.31 -0.72 0.00 -1.26 -4.36 105.19 101.27 2o5a n GLY 83 Ca 0.20 -0.90 0.19 0.00 0.00 0.00 0.00 46.02 45.51 2o5a n GLY 83 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2o5a h ASP 84 N 0.00 0.00 -4.10 1.61 3.32 -1.96 -3.41 116.42 111.88 2o5a h ASP 84 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2o5a h ASP 84 Cb 0.00 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.25 2o5a h ASP 84 CO 0.00 0.02 -0.84 -0.69 -1.72 0.00 0.00 179.24 176.01 2o5a s VAL 85 N -4.17 1.45 -0.14 -1.35 1.01 -1.26 -2.19 120.40 113.75 2o5a s VAL 85 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2o5a s VAL 85 Cb 0.13 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2o5a s VAL 85 CO 0.48 0.42 -0.13 -0.69 0.00 0.00 0.00 175.10 175.18 2o5a s VAL 86 N -0.17 1.47 -0.11 2.92 1.01 -0.59 -0.95 120.40 123.98 2o5a s VAL 86 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 2o5a s VAL 86 Cb -0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2o5a s VAL 86 CO 0.01 0.44 0.22 -0.69 0.00 0.00 0.00 175.10 175.08 2o5a s VAL 87 N 1.53 5.37 -0.25 2.92 1.01 -0.43 -0.71 120.40 129.83 2o5a s VAL 87 Ca 0.05 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2o5a s VAL 87 Cb -0.13 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.81 2o5a s VAL 87 CO -0.10 0.57 -0.11 -1.00 0.00 0.00 0.00 175.10 174.45 2o5a s HIS 88 N -0.74 3.20 -0.43 5.22 3.76 0.20 -1.21 115.29 125.30 2o5a s HIS 88 Ca 0.16 -2.26 -0.10 0.00 -0.15 0.00 0.00 55.06 52.72 2o5a s HIS 88 Cb -0.13 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 31.73 2o5a s HIS 88 CO 0.05 -0.87 0.28 0.08 -0.85 0.00 0.00 174.74 173.43 2o5a s VAL 89 N 1.13 4.29 0.37 -0.90 1.01 -0.16 -2.14 120.40 123.99 2o5a s VAL 89 Ca -0.08 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.49 2o5a s VAL 89 Cb -0.19 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2o5a s VAL 89 CO -0.06 -0.54 0.56 -0.36 0.00 0.00 0.00 175.10 174.70 2o5a s PHE 90 N 1.43 3.34 -0.11 5.22 0.40 -0.26 -1.39 117.98 126.61 2o5a s PHE 90 Ca 0.03 0.19 -0.15 0.00 -0.60 0.00 0.00 56.93 56.40 2o5a s PHE 90 Cb -0.23 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 2o5a s PHE 90 CO 0.02 -0.04 0.37 -1.58 0.70 0.00 0.00 175.22 174.69 2o5a s HIS 91 N -2.35 3.55 0.61 0.36 5.65 -0.63 0.18 115.29 122.66 2o5a s HIS 91 Ca 0.43 0.77 0.25 0.00 0.25 0.00 0.00 55.06 56.77 2o5a s HIS 91 Cb -0.10 -2.38 1.02 0.00 -1.18 0.00 0.00 32.58 29.95 2o5a s HIS 91 CO 0.35 0.33 1.45 1.57 -0.65 0.00 0.00 174.74 177.80 2o5a h LYS 92 N 6.15 0.00 -0.14 2.88 2.10 -0.43 0.78 116.57 127.92 2o5a h LYS 92 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2o5a h LYS 92 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2o5a h LYS 92 CO 0.72 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.92 2o5a n ASP 93 N -3.29 2.54 -4.70 7.07 8.00 -1.26 -4.93 116.55 119.97 2o5a n ASP 93 Ca 0.17 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.41 2o5a n ASP 93 Cb 1.24 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.23 2o5a n ASP 93 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2o5a s GLU 94 N -1.84 4.35 0.11 -1.24 2.56 0.27 -4.94 118.70 117.97 2o5a s GLU 94 Ca 0.34 1.91 -0.14 0.00 0.00 0.00 0.00 54.97 57.08 2o5a s GLU 94 Cb 0.20 -3.40 -0.07 0.00 2.00 0.00 0.00 34.13 32.87 2o5a s GLU 94 CO 0.31 -0.41 1.44 0.00 -0.56 0.00 0.00 175.26 176.03 2o5a h ARG 95 N 7.14 0.77 0.00 4.30 3.08 -1.92 -2.84 114.38 124.92 2o5a h ARG 95 Ca -0.40 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.24 2o5a h ARG 95 Cb 1.20 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2o5a h ARG 95 CO 0.86 1.03 0.00 0.00 -1.07 0.00 0.00 179.97 180.79 2o5a n ALA 96 N -2.51 1.05 0.27 0.04 0.00 -1.26 -0.41 120.51 117.68 2o5a n ALA 96 Ca -0.03 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2o5a n ALA 96 Cb 0.49 -1.28 0.30 0.00 0.00 0.00 0.00 19.45 18.96 2o5a n ALA 96 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2o5a h TYR 97 N 0.00 0.00 -0.02 0.00 3.20 -1.88 -2.28 116.97 115.99 2o5a h TYR 97 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2o5a h TYR 97 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2o5a h TYR 97 CO 0.00 0.00 -0.14 0.66 -1.64 0.00 0.00 178.16 177.04 2o5a n TYR 98 N -3.02 0.00 -0.07 -3.82 4.02 0.45 -4.11 117.16 110.61 2o5a n TYR 98 Ca 0.03 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.96 2o5a n TYR 98 Cb 0.47 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.87 2o5a n TYR 98 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2o5a n ASN 99 N 0.45 2.45 0.00 7.72 5.03 -1.08 -4.52 115.26 125.31 2o5a n ASN 99 Ca 0.08 -1.93 0.05 0.00 0.87 0.00 0.00 54.58 53.65 2o5a n ASN 99 Cb 0.37 -0.12 0.31 0.00 -1.02 0.00 0.00 39.78 39.32 2o5a n ASN 99 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2o5a n LEU 100 N 0.11 0.00 -0.03 3.41 7.94 -0.87 -1.91 117.00 125.66 2o5a n LEU 100 Ca 0.06 0.02 -0.12 0.00 -1.11 0.00 0.00 56.01 54.87 2o5a n LEU 100 Cb 0.33 -0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 2o5a n LEU 100 CO 0.05 -0.02 0.40 -0.08 -1.11 0.00 0.00 177.39 176.63 2o5a h GLU 101 N 0.00 -0.05 -0.39 1.96 4.22 -1.88 -3.30 114.58 115.14 2o5a h GLU 101 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 2o5a h GLU 101 Cb 0.01 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 2o5a h GLU 101 CO 0.00 0.62 -0.40 0.87 -2.18 0.00 0.00 179.01 177.92 2o5a h LYS 102 N -0.87 -0.30 -7.16 1.92 1.57 -1.74 -3.39 116.57 106.59 2o5a h LYS 102 Ca -0.01 0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.27 2o5a h LYS 102 Cb 0.69 0.07 0.12 0.00 0.08 0.00 0.00 32.23 33.19 2o5a h LYS 102 CO 0.01 -0.20 0.41 -0.51 -0.57 0.00 0.00 179.45 178.58 2o5a s LEU 103 N -10.52 3.46 0.00 2.94 1.43 -1.24 -5.21 118.68 109.53 2o5a s LEU 103 Ca -0.15 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2o5a s LEU 103 Cb 0.12 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2o5a s LEU 103 CO 0.66 -1.80 0.00 0.79 0.23 0.00 0.00 176.35 176.23 2o5a n TRP 104 N -2.23 -1.15 -1.69 0.29 8.01 -1.26 -4.88 117.44 114.53 2o5a n TRP 104 Ca 0.12 0.01 -0.01 0.00 -1.31 0.00 0.00 57.50 56.31 2o5a n TRP 104 Cb 0.51 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.80 2o5a n TRP 104 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 2o5a n PRO 108 N -0.12 -0.68 -1.94 -0.99 -0.04 -1.26 -4.92 135.00 125.06 2o5a n PRO 108 Ca 0.00 0.94 -0.29 0.00 -0.04 0.00 0.00 63.50 64.11 2o5a n PRO 108 Cb 0.00 -1.70 0.15 0.00 -0.04 0.00 0.00 33.50 31.91 2o5a n PRO 108 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2o5a s THR 109 N -0.19 2.01 -0.13 0.52 -4.23 -1.26 -1.46 115.64 110.89 2o5a s THR 109 Ca -0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2o5a s THR 109 Cb 0.00 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.87 2o5a s THR 109 CO 0.13 0.00 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.40 2o5a s VAL 110 N -3.75 1.38 -1.07 2.29 1.01 -0.81 -4.50 120.40 114.94 2o5a s VAL 110 Ca 0.69 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2o5a s VAL 110 Cb -0.07 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2o5a s VAL 110 CO 0.51 0.43 1.95 -0.70 0.00 0.00 0.00 175.10 177.29 2o5a s GLU 111 N 1.49 2.47 0.19 2.72 2.56 -1.26 -4.58 118.70 122.29 2o5a s GLU 111 Ca 0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 54.97 53.97 2o5a s GLU 111 Cb -0.13 -5.16 0.10 0.00 2.00 0.00 0.00 34.13 30.94 2o5a s GLU 111 CO -0.09 -3.81 1.56 -0.07 -0.56 0.00 0.00 175.26 172.29 2o5a h LEU 112 N 17.98 -1.56 -6.30 2.70 3.38 -1.97 -2.78 115.31 126.77 2o5a h LEU 112 Ca 0.16 0.28 -0.55 0.00 0.09 0.00 0.00 57.88 57.87 2o5a h LEU 112 Cb 0.97 0.75 0.05 0.00 0.09 0.00 0.00 40.66 42.52 2o5a h LEU 112 CO 1.21 -0.30 2.18 1.21 0.09 0.00 0.00 178.44 182.83 2o5a n GLU 113 N -5.41 1.35 0.00 1.13 0.00 -1.26 -5.15 120.64 111.30 2o5a n GLU 113 Ca 0.05 -1.59 0.00 0.00 0.00 0.00 0.00 57.16 55.63 2o5a n GLU 113 Cb 0.35 -2.72 0.00 0.00 0.00 0.00 0.00 31.44 29.07 2o5a n GLU 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54