#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oee s LEU 10 N 0.00 3.71 0.84 2.45 1.43 -1.26 -5.10 118.68 120.74 1oee s LEU 10 Ca 0.00 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1oee s LEU 10 Cb 0.00 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.43 1oee s LEU 10 CO 0.00 0.30 1.09 0.42 0.23 0.00 0.00 176.35 178.39 1oee s THR 11 N -0.39 2.97 0.22 5.49 -4.23 -1.26 -4.78 115.64 113.66 1oee s THR 11 Ca 0.08 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 1oee s THR 11 Cb -0.12 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.02 1oee s THR 11 CO 0.02 -0.41 1.83 -0.08 -0.54 0.00 0.00 174.62 175.44 1oee h GLU 12 N -1.32 0.79 -0.52 3.99 4.81 -1.99 0.13 114.58 120.47 1oee h GLU 12 Ca -0.47 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1oee h GLU 12 Cb 1.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1oee h GLU 12 CO 0.55 0.52 0.17 0.28 -0.73 0.00 0.00 179.01 179.80 1oee h VAL 13 N 0.81 1.23 -0.31 0.32 2.07 -1.97 0.28 116.25 118.68 1oee h VAL 13 Ca 0.31 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1oee h VAL 13 Cb 0.13 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1oee h VAL 13 CO -0.15 0.29 -0.10 -0.33 0.02 0.00 0.00 177.57 177.29 1oee h GLU 14 N 0.72 0.62 -0.32 1.57 5.08 -1.85 -1.15 114.58 119.25 1oee h GLU 14 Ca 0.17 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1oee h GLU 14 Cb 0.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1oee h GLU 14 CO -0.01 0.82 0.17 0.37 -1.00 0.00 0.00 179.01 179.37 1oee h GLN 15 N 0.39 0.45 -0.41 2.33 4.15 -0.56 0.77 115.11 122.24 1oee h GLN 15 Ca 0.08 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1oee h GLN 15 Cb 0.61 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1oee h GLN 15 CO 0.04 0.39 -0.24 0.87 -1.93 0.00 0.00 178.83 177.96 1oee h LYS 16 N 0.40 0.83 -0.76 1.69 1.57 -0.93 -2.97 116.57 116.40 1oee h LYS 16 Ca 0.11 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1oee h LYS 16 Cb 0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1oee h LYS 16 CO -0.02 0.98 0.31 0.00 -0.57 0.00 0.00 179.45 180.15 1oee h ALA 17 N 1.01 1.10 -0.91 3.86 0.00 -0.59 0.24 119.26 123.97 1oee h ALA 17 Ca 0.09 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.99 1oee h ALA 17 Cb 0.77 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1oee h ALA 17 CO 0.06 0.64 0.59 0.00 0.00 0.00 0.00 179.25 180.54 1oee h ALA 18 N 1.23 1.96 -0.42 0.00 0.00 -0.70 -0.12 119.26 121.20 1oee h ALA 18 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1oee h ALA 18 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1oee h ALA 18 CO -0.02 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.09 1oee n ASN 19 N -4.57 3.68 -0.40 0.00 5.03 -0.72 -4.86 115.26 113.42 1oee n ASN 19 Ca 0.19 -2.42 -0.05 0.00 0.87 0.00 0.00 54.58 53.17 1oee n ASN 19 Cb 0.57 -0.53 -0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1oee n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oee n GLY 20 N 0.69 0.61 3.04 7.41 0.00 -0.06 -4.84 105.19 112.03 1oee n GLY 20 Ca 0.18 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 1oee n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oee s VAL 21 N -2.19 1.80 -0.16 1.61 1.01 -0.01 -0.81 120.40 121.66 1oee s VAL 21 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1oee s VAL 21 Cb 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 36.38 34.72 1oee s VAL 21 CO 0.00 0.27 1.02 0.72 0.00 0.00 0.00 175.10 177.12 1oee s PHE 22 N 1.34 -0.33 0.24 5.22 -0.12 -1.26 -2.03 117.98 121.03 1oee s PHE 22 Ca 0.00 0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 57.11 1oee s PHE 22 Cb -0.15 0.46 -0.09 0.00 -0.63 0.00 0.00 43.02 42.61 1oee s PHE 22 CO -0.09 -0.33 0.98 -0.51 -0.05 0.00 0.00 175.22 175.22 1oee s ASP 23 N -1.28 7.54 0.52 1.98 1.01 -1.26 -4.97 116.67 120.22 1oee s ASP 23 Ca 0.00 2.01 0.23 0.00 0.71 0.00 0.00 52.55 55.50 1oee s ASP 23 Cb -0.01 -2.61 1.34 0.00 1.01 0.00 0.00 42.92 42.65 1oee s ASP 23 CO -0.00 0.06 2.02 0.44 0.21 0.00 0.00 175.17 177.90 1oee h ASP 24 N 4.23 0.04 0.75 0.27 3.32 -2.01 -1.23 116.42 121.80 1oee h ASP 24 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1oee h ASP 24 Cb 1.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1oee h ASP 24 CO 0.68 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 1oee h ALA 25 N 1.77 1.00 -0.00 3.45 0.00 -2.04 -2.39 119.26 121.05 1oee h ALA 25 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1oee h ALA 25 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1oee h ALA 25 CO -0.01 0.00 -0.25 0.09 0.00 0.00 0.00 179.25 179.08 1oee n ASN 26 N -2.58 0.74 -4.72 0.00 3.02 -0.46 -4.87 115.26 106.38 1oee n ASN 26 Ca 0.01 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.51 1oee n ASN 26 Cb 0.24 0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1oee n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oee s VAL 27 N -2.60 4.72 0.14 2.41 1.01 -0.90 -4.77 120.40 120.42 1oee s VAL 27 Ca 0.23 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.28 1oee s VAL 27 Cb 0.19 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1oee s VAL 27 CO 0.54 0.24 -0.12 -1.10 0.00 0.00 0.00 175.10 174.65 1oee s GLN 28 N 0.53 1.07 0.68 2.72 -0.21 0.66 -5.02 119.66 120.09 1oee s GLN 28 Ca 0.49 -1.36 -0.16 0.00 0.02 0.00 0.00 55.36 54.34 1oee s GLN 28 Cb -0.22 -0.80 0.01 0.00 1.00 0.00 0.00 33.01 33.01 1oee s GLN 28 CO 0.28 0.13 1.20 -0.80 -2.12 0.00 0.00 175.29 173.98 1oee s ASN 29 N -2.85 4.59 0.18 5.90 0.01 -1.26 -4.26 114.94 117.25 1oee s ASN 29 Ca 0.13 2.32 0.01 0.00 -0.71 0.00 0.00 52.86 54.61 1oee s ASN 29 Cb -0.01 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1oee s ASN 29 CO 0.02 -1.99 0.03 0.54 -1.51 0.00 0.00 177.10 174.19 1oee n ARG 30 N -2.37 1.12 -4.25 -0.60 1.74 -1.26 -4.16 116.66 106.87 1oee n ARG 30 Ca 0.13 -1.39 -0.15 0.00 -0.77 0.00 0.00 57.85 55.67 1oee n ARG 30 Cb 0.50 0.58 -0.10 0.00 -1.02 0.00 0.00 32.46 32.42 1oee n ARG 30 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1oee s THR 31 N -1.95 1.25 0.40 0.55 -4.23 -1.26 -4.98 115.64 105.42 1oee s THR 31 Ca 0.04 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 58.75 1oee s THR 31 Cb 0.00 -1.76 0.38 0.00 1.34 0.00 0.00 72.50 72.46 1oee s THR 31 CO 0.03 -0.65 1.83 0.25 -0.54 0.00 0.00 174.62 175.54 1oee h LEU 32 N 2.97 0.46 -2.62 4.79 5.85 -1.99 -1.90 115.31 122.87 1oee h LEU 32 Ca -0.37 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1oee h LEU 32 Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1oee h LEU 32 CO 0.60 0.16 0.03 0.77 -0.34 0.00 0.00 178.44 179.65 1oee h SER 33 N 0.44 0.00 0.02 1.25 4.64 -1.99 0.44 113.55 118.36 1oee h SER 33 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1oee h SER 33 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1oee h SER 33 CO -0.22 0.00 -0.01 0.44 -0.87 0.00 0.00 176.83 176.17 1oee h ASP 34 N 0.00 0.00 -0.47 4.97 3.32 -1.67 -2.44 116.42 120.13 1oee h ASP 34 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oee h ASP 34 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1oee h ASP 34 CO 0.00 0.01 0.00 0.79 -1.72 0.00 0.00 179.24 178.32 1oee n TRP 35 N -4.08 0.82 -1.62 4.55 8.01 0.14 -1.41 117.44 123.86 1oee n TRP 35 Ca -0.03 -0.57 -0.47 0.00 -1.31 0.00 0.00 57.50 55.12 1oee n TRP 35 Cb 0.09 -0.10 -0.03 0.00 -2.01 0.00 0.00 31.31 29.26 1oee n TRP 35 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1oee n ASP 36 N 0.70 1.90 0.00 -0.99 9.92 -0.92 -4.63 116.55 122.53 1oee n ASP 36 Ca 0.18 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.59 1oee n ASP 36 Cb 0.62 -1.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 1oee n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oee n GLY 37 N 1.95 0.48 3.46 0.44 0.00 -0.11 -4.95 105.19 106.47 1oee n GLY 37 Ca 0.13 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1oee n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oee s VAL 38 N -2.12 3.35 0.01 1.61 1.01 -1.26 -0.43 120.40 122.56 1oee s VAL 38 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1oee s VAL 38 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1oee s VAL 38 CO 0.00 0.55 -0.12 0.26 0.00 0.00 0.00 175.10 175.78 1oee s TRP 39 N -0.11 1.08 -0.10 5.22 0.52 0.64 -1.04 118.94 125.15 1oee s TRP 39 Ca -0.00 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1oee s TRP 39 Cb -0.13 -0.67 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 1oee s TRP 39 CO 0.03 -0.00 -0.15 -1.14 0.02 0.00 0.00 176.95 175.71 1oee s GLN 40 N -0.63 3.10 0.38 4.98 2.00 0.52 -1.33 119.66 128.69 1oee s GLN 40 Ca 0.03 -0.72 -0.28 0.00 -2.00 0.00 0.00 55.36 52.39 1oee s GLN 40 Cb -0.06 -2.51 -0.11 0.00 0.80 0.00 0.00 33.01 31.13 1oee s GLN 40 CO 0.00 0.31 1.48 0.45 -0.50 0.00 0.00 175.29 177.03 1oee s SER 41 N 0.08 6.35 0.00 6.67 0.15 0.09 -1.66 113.70 125.38 1oee s SER 41 Ca -0.06 3.04 0.27 0.00 0.70 0.00 0.00 55.95 59.89 1oee s SER 41 Cb -0.15 -2.67 0.79 0.00 -1.71 0.00 0.00 66.02 62.28 1oee s SER 41 CO 0.05 -0.87 1.60 1.33 1.20 0.00 0.00 173.24 176.55 1oee n VAL 42 N 0.46 0.00 -0.21 4.45 0.24 -0.62 -4.38 118.33 118.27 1oee n VAL 42 Ca 0.01 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.34 62.25 1oee n VAL 42 Cb 0.39 0.14 0.10 0.00 -1.47 0.00 0.00 33.84 33.00 1oee n VAL 42 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1oee h TYR 43 N 0.42 0.53 -0.66 6.34 3.20 -1.82 -1.68 116.97 123.30 1oee h TYR 43 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1oee h TYR 43 Cb 0.48 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1oee h TYR 43 CO 0.00 0.21 0.44 -1.35 -1.64 0.00 0.00 178.16 175.82 1oee h PRO 44 N 0.54 0.77 -0.69 1.82 0.11 -1.95 -0.84 132.00 131.75 1oee h PRO 44 Ca 0.29 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.41 1oee h PRO 44 Cb 0.27 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 1oee h PRO 44 CO -0.23 0.51 0.40 -0.07 -0.21 0.00 0.00 178.00 178.40 1oee h LEU 45 N 0.79 0.61 -0.17 2.35 3.38 -1.61 0.34 115.31 121.01 1oee h LEU 45 Ca 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1oee h LEU 45 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1oee h LEU 45 CO -0.07 0.40 0.10 0.25 0.09 0.00 0.00 178.44 179.20 1oee h LEU 46 N 0.74 0.20 -1.03 1.67 6.46 -1.00 -0.03 115.31 122.32 1oee h LEU 46 Ca 0.30 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.94 1oee h LEU 46 Cb 0.16 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1oee h LEU 46 CO -0.17 0.20 -0.11 1.56 -0.62 0.00 0.00 178.44 179.29 1oee h GLN 47 N 0.19 0.56 0.00 1.25 4.20 -0.90 -2.52 115.11 117.89 1oee h GLN 47 Ca 0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1oee h GLN 47 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1oee h GLN 47 CO -0.01 0.67 -0.18 0.66 -0.67 0.00 0.00 178.83 179.30 1oee h SER 48 N 0.52 0.00 0.00 1.46 4.64 -0.92 -3.47 113.55 115.78 1oee h SER 48 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1oee h SER 48 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1oee h SER 48 CO 0.03 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1oee n GLY 49 N 0.69 0.65 0.24 -0.77 0.00 -0.95 -4.96 105.19 100.09 1oee n GLY 49 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.20 1oee n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oee h LYS 50 N 2.82 0.00 -0.01 1.61 6.56 -1.23 -1.73 116.57 124.60 1oee h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1oee h LYS 50 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1oee h LYS 50 CO 0.00 0.00 -0.25 1.28 -2.06 0.00 0.00 179.45 178.42 1oee n LEU 51 N -2.87 1.04 -0.29 2.94 4.77 -1.06 -4.42 117.00 117.13 1oee n LEU 51 Ca 0.01 -0.27 0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1oee n LEU 51 Cb 0.29 -0.12 0.26 0.00 -2.33 0.00 0.00 43.42 41.52 1oee n LEU 51 CO 0.25 0.19 1.01 0.44 -1.33 0.00 0.00 177.39 177.96 1oee h ASP 52 N 1.25 0.23 -0.47 -1.43 5.19 -1.61 0.55 116.42 120.13 1oee h ASP 52 Ca 0.00 0.15 0.13 0.00 -0.62 0.00 0.00 57.03 56.68 1oee h ASP 52 Cb 0.51 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1oee h ASP 52 CO 0.00 0.00 0.33 -0.65 -3.12 0.00 0.00 179.24 175.80 1oee h PRO 53 N 0.37 0.05 0.17 3.56 0.11 -1.81 0.67 132.00 135.12 1oee h PRO 53 Ca 0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 1oee h PRO 53 Cb 0.91 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1oee h PRO 53 CO -0.51 0.03 -0.08 0.28 -0.21 0.00 0.00 178.00 177.51 1oee h VAL 54 N 0.05 0.95 -0.30 3.15 2.07 -1.19 -2.06 116.25 118.92 1oee h VAL 54 Ca 0.22 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 1oee h VAL 54 Cb 0.81 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1oee h VAL 54 CO -0.01 0.14 -0.27 -0.26 0.02 0.00 0.00 177.57 177.18 1oee h PHE 55 N -0.53 0.69 -0.14 1.57 0.04 -1.33 -2.12 116.94 115.12 1oee h PHE 55 Ca -0.02 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 1oee h PHE 55 Cb 0.41 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1oee h PHE 55 CO 0.02 0.82 0.09 0.37 -0.60 0.00 0.00 178.31 179.01 1oee h GLN 56 N 0.52 0.20 -0.58 1.51 4.15 -0.91 0.34 115.11 120.34 1oee h GLN 56 Ca 0.07 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1oee h GLN 56 Cb 0.74 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1oee h GLN 56 CO 0.06 0.18 0.09 -0.22 -1.93 0.00 0.00 178.83 177.01 1oee h LYS 57 N 0.16 0.96 -0.25 1.69 3.64 -1.14 -1.45 116.57 120.18 1oee h LYS 57 Ca 0.05 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1oee h LYS 57 Cb 0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1oee h LYS 57 CO -0.01 0.91 -0.06 0.87 -2.27 0.00 0.00 179.45 178.89 1oee h LYS 58 N 0.85 0.48 -0.81 1.90 1.57 -1.21 -1.34 116.57 118.02 1oee h LYS 58 Ca 0.17 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1oee h LYS 58 Cb 0.42 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1oee h LYS 58 CO 0.01 0.70 0.43 0.00 -0.57 0.00 0.00 179.45 180.03 1oee h ALA 59 N 0.77 1.03 -0.54 3.86 0.00 -0.91 -1.46 119.26 122.02 1oee h ALA 59 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1oee h ALA 59 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1oee h ALA 59 CO 0.02 0.56 0.24 -0.44 0.00 0.00 0.00 179.25 179.63 1oee h ASP 60 N 1.12 0.72 1.62 0.00 3.32 -1.04 -3.18 116.42 118.98 1oee h ASP 60 Ca 0.28 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1oee h ASP 60 Cb 0.05 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1oee h ASP 60 CO -0.04 0.66 -0.15 0.00 -1.72 0.00 0.00 179.24 177.98 1oee h ALA 61 N 1.08 0.92 -3.40 3.45 0.00 -1.01 -3.42 119.26 116.89 1oee h ALA 61 Ca 0.18 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 54.27 1oee h ALA 61 Cb 0.15 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 17.59 1oee h ALA 61 CO -0.02 0.19 -0.67 0.34 0.00 0.00 0.00 179.25 179.09 1oee s ASP 62 N -6.20 5.01 0.58 0.00 -1.08 -0.57 -4.97 116.67 109.43 1oee s ASP 62 Ca 0.05 -1.33 0.36 0.00 -0.52 0.00 0.00 52.55 51.11 1oee s ASP 62 Cb 0.07 -1.75 1.69 0.00 -1.46 0.00 0.00 42.92 41.47 1oee s ASP 62 CO 0.67 -0.30 2.11 0.11 0.52 0.00 0.00 175.17 178.27 1oee h LYS 63 N 8.04 0.00 -0.01 4.34 6.56 -1.82 -2.28 116.57 131.40 1oee h LYS 63 Ca -0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1oee h LYS 63 Cb 1.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 1oee h LYS 63 CO 0.56 0.02 -0.15 0.25 -2.06 0.00 0.00 179.45 178.07 1oee n THR 64 N -3.15 0.00 -4.28 -0.16 -2.24 -1.26 -4.93 114.28 98.26 1oee n THR 64 Ca -0.01 -0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1oee n THR 64 Cb 0.23 0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1oee n THR 64 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1oee s LYS 65 N -2.34 1.13 0.34 -0.78 1.02 -0.86 -5.16 119.74 113.08 1oee s LYS 65 Ca 0.30 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 55.09 1oee s LYS 65 Cb 0.20 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1oee s LYS 65 CO 0.46 0.23 0.15 0.95 -0.92 0.00 0.00 175.35 176.22 1oee s THR 66 N -1.92 3.03 0.13 2.17 -4.23 -1.26 -4.77 115.64 108.79 1oee s THR 66 Ca 0.11 -1.68 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 1oee s THR 66 Cb -0.06 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1oee s THR 66 CO 0.05 -0.18 1.65 0.15 -0.54 0.00 0.00 174.62 175.74 1oee h PHE 67 N 1.53 -0.55 -0.88 3.99 3.57 -1.90 -1.33 116.94 121.38 1oee h PHE 67 Ca -0.44 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.10 1oee h PHE 67 Cb 1.25 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 1oee h PHE 67 CO 0.62 -0.29 0.58 0.00 -2.23 0.00 0.00 178.31 177.00 1oee h ALA 68 N 0.68 1.38 -0.29 2.41 0.00 -1.96 0.60 119.26 122.08 1oee h ALA 68 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1oee h ALA 68 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1oee h ALA 68 CO -0.26 0.57 -0.01 1.49 0.00 0.00 0.00 179.25 181.03 1oee h GLU 69 N 1.19 0.52 0.10 0.00 4.81 -1.89 -1.52 114.58 117.80 1oee h GLU 69 Ca 0.33 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1oee h GLU 69 Cb -0.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1oee h GLU 69 CO -0.07 0.68 -0.05 0.82 -0.73 0.00 0.00 179.01 179.66 1oee h ILE 70 N 0.31 0.97 -0.60 2.32 2.04 -0.84 -1.69 117.51 120.02 1oee h ILE 70 Ca 0.08 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1oee h ILE 70 Cb 0.46 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1oee h ILE 70 CO 0.02 0.06 0.37 0.50 0.00 0.00 0.00 178.15 179.10 1oee h LYS 71 N -0.26 0.80 -0.64 2.37 3.64 -0.89 -1.97 116.57 119.62 1oee h LYS 71 Ca -0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1oee h LYS 71 Cb 0.21 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1oee h LYS 71 CO 0.02 0.56 0.36 0.22 -2.27 0.00 0.00 179.45 178.35 1oee h ASP 72 N 0.81 0.78 -0.68 4.20 3.58 -1.25 0.15 116.42 124.00 1oee h ASP 72 Ca 0.22 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 1oee h ASP 72 Cb -0.04 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1oee h ASP 72 CO -0.04 0.63 0.33 0.22 -2.88 0.00 0.00 179.24 177.49 1oee h TYR 73 N 0.89 0.98 0.00 0.28 3.20 -0.74 -1.65 116.97 119.93 1oee h TYR 73 Ca 0.23 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 1oee h TYR 73 Cb 0.01 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 1oee h TYR 73 CO 0.01 0.73 -0.49 1.88 -1.64 0.00 0.00 178.16 178.64 1oee h TYR 74 N 0.95 0.00 -0.01 -3.82 0.05 -0.96 -1.42 116.97 111.75 1oee h TYR 74 Ca 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 1oee h TYR 74 Cb 0.12 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 1oee h TYR 74 CO 0.00 0.49 0.01 1.25 -1.05 0.00 0.00 178.16 178.87 1oee h HIS 75 N 0.00 0.02 -0.39 4.88 2.76 -0.42 0.18 115.15 122.17 1oee h HIS 75 Ca -0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1oee h HIS 75 Cb 1.33 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 1oee h HIS 75 CO 0.00 0.15 0.26 0.87 -1.30 0.00 0.00 177.93 177.91 1oee h LYS 76 N -0.11 0.51 -0.24 5.26 1.57 -1.30 -2.15 116.57 120.11 1oee h LYS 76 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1oee h LYS 76 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1oee h LYS 76 CO -0.00 0.34 0.14 0.78 -0.57 0.00 0.00 179.45 180.14 1oee h GLY 77 N 0.53 0.35 1.35 3.86 0.00 -1.04 -3.31 103.07 104.81 1oee h GLY 77 Ca 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1oee h GLY 77 CO -0.04 0.15 -0.69 -0.97 0.00 0.00 0.00 176.54 175.00 1oee h TYR 78 N 0.29 0.00 -1.60 5.60 0.05 -0.62 0.37 116.97 121.05 1oee h TYR 78 Ca 0.09 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.15 1oee h TYR 78 Cb 0.04 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.81 1oee h TYR 78 CO -0.04 0.04 0.75 0.00 -1.05 0.00 0.00 178.16 177.86 1oee n ALA 79 N -2.17 -0.45 -3.57 3.88 0.00 -0.81 -4.52 120.51 112.87 1oee n ALA 79 Ca 0.01 0.43 -0.08 0.00 0.00 0.00 0.00 53.44 53.80 1oee n ALA 79 Cb 0.56 -2.18 -0.04 0.00 0.00 0.00 0.00 19.45 17.80 1oee n ALA 79 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1oee s THR 80 N 2.50 0.00 -2.69 0.00 -1.32 -1.26 -4.69 115.64 108.18 1oee s THR 80 Ca 0.93 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.65 1oee s THR 80 Cb -1.02 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 69.30 1oee s THR 80 CO 0.59 0.00 1.36 -0.90 -2.21 0.00 0.00 174.62 173.46 1oee n ASP 81 N 0.39 3.18 -4.48 8.08 5.68 -1.26 -4.80 116.55 123.34 1oee n ASP 81 Ca -0.07 -1.98 -0.43 0.00 -0.50 0.00 0.00 54.79 51.81 1oee n ASP 81 Cb 0.59 -0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1oee n ASP 81 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1oee s ILE 82 N -1.72 4.22 0.09 2.12 1.01 -1.26 -4.38 121.20 121.28 1oee s ILE 82 Ca 0.34 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1oee s ILE 82 Cb 0.22 -4.77 -0.22 0.00 0.01 0.00 0.00 42.46 37.70 1oee s ILE 82 CO 0.31 -1.57 1.22 -0.33 0.00 0.00 0.00 174.94 174.57 1oee h GLU 83 N 9.60 0.63 -4.37 2.79 5.08 -1.48 -3.42 114.58 123.42 1oee h GLU 83 Ca -0.21 -0.67 -0.21 0.00 -1.00 0.00 0.00 59.36 57.27 1oee h GLU 83 Cb 1.06 0.19 -0.19 0.00 0.50 0.00 0.00 28.75 30.31 1oee h GLU 83 CO 1.21 1.27 -0.71 -1.64 -1.00 0.00 0.00 179.01 178.14 1oee s MET 84 N -3.32 0.55 -0.07 2.33 -1.94 -1.18 -0.74 119.30 114.93 1oee s MET 84 Ca -0.09 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 1oee s MET 84 Cb 0.07 -0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.85 1oee s MET 84 CO 0.91 -0.02 -0.14 0.42 -0.01 0.00 0.00 175.02 176.18 1oee s ILE 85 N -2.33 1.30 -0.09 2.53 1.01 -0.44 -0.14 121.20 123.03 1oee s ILE 85 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1oee s ILE 85 Cb -0.04 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1oee s ILE 85 CO -0.03 0.39 -0.12 -0.83 0.00 0.00 0.00 174.94 174.35 1oee s GLY 86 N 0.63 1.57 -0.06 6.18 0.00 -0.51 -0.26 107.32 114.86 1oee s GLY 86 Ca -0.15 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 1oee s GLY 86 CO 0.04 -0.49 -0.03 -0.42 0.00 0.00 0.00 173.10 172.20 1oee s ILE 87 N -0.26 0.53 -0.29 0.90 1.01 0.42 -0.32 121.20 123.20 1oee s ILE 87 Ca 0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 1oee s ILE 87 Cb -0.13 -0.60 0.14 0.00 0.01 0.00 0.00 42.46 41.88 1oee s ILE 87 CO 0.03 0.25 0.98 -0.70 0.00 0.00 0.00 174.94 175.51 1oee s GLU 88 N 1.41 0.40 -1.46 2.79 2.12 -0.95 -0.93 118.70 122.09 1oee s GLU 88 Ca -0.03 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 1oee s GLU 88 Cb -0.13 0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.39 1oee s GLU 88 CO -0.03 -0.08 0.69 -0.25 -0.54 0.00 0.00 175.26 175.06 1oee n ASP 89 N 3.44 -5.37 0.00 -1.70 8.00 -1.26 -1.78 116.55 117.89 1oee n ASP 89 Ca -0.17 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1oee n ASP 89 Cb 0.57 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 1oee n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oee n GLY 90 N -1.51 0.88 3.53 0.44 0.00 -1.26 -5.02 105.19 102.25 1oee n GLY 90 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1oee n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oee s ILE 91 N -3.53 3.80 -0.22 -0.61 1.01 -0.73 -2.94 121.20 117.98 1oee s ILE 91 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1oee s ILE 91 Cb 0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1oee s ILE 91 CO 0.00 0.54 0.07 -0.69 0.00 0.00 0.00 174.94 174.86 1oee s VAL 92 N -0.12 4.55 -0.18 2.92 1.01 -0.56 -2.23 120.40 125.80 1oee s VAL 92 Ca 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1oee s VAL 92 Cb -0.13 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1oee s VAL 92 CO 0.03 0.38 -0.00 -1.61 0.00 0.00 0.00 175.10 173.90 1oee s GLU 93 N 1.11 3.72 -0.32 2.72 2.02 0.56 -2.00 118.70 126.51 1oee s GLU 93 Ca 0.04 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1oee s GLU 93 Cb -0.14 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 1oee s GLU 93 CO 0.03 0.17 0.18 -0.06 0.02 0.00 0.00 175.26 175.60 1oee s PHE 94 N 0.59 3.20 -0.35 1.61 0.08 0.50 -1.42 117.98 122.18 1oee s PHE 94 Ca -0.01 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 1oee s PHE 94 Cb -0.14 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1oee s PHE 94 CO 0.02 -0.46 0.38 -1.01 -0.10 0.00 0.00 175.22 174.06 1oee s HIS 95 N 1.63 3.20 0.62 0.36 3.76 0.80 -1.92 115.29 123.74 1oee s HIS 95 Ca 0.05 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 1oee s HIS 95 Cb -0.17 -2.72 0.10 0.00 1.11 0.00 0.00 32.58 30.90 1oee s HIS 95 CO 0.07 -0.47 0.85 1.03 -0.85 0.00 0.00 174.74 175.37 1oee s ARG 96 N 2.06 2.13 -0.78 1.40 0.52 0.90 -1.22 118.95 123.96 1oee s ARG 96 Ca 0.12 -1.62 -0.27 0.00 -0.52 0.00 0.00 55.73 53.45 1oee s ARG 96 Cb -0.17 -2.59 -0.17 0.00 0.52 0.00 0.00 34.95 32.55 1oee s ARG 96 CO 0.12 -1.03 2.52 -1.71 0.02 0.00 0.00 175.30 175.21 1oee n ASN 97 N -2.39 1.05 0.00 0.23 5.15 -1.26 -2.91 115.26 115.13 1oee n ASN 97 Ca 0.17 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1oee n ASN 97 Cb 0.62 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 1oee n ASN 97 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1oee n ASN 98 N 12.89 0.00 -4.84 1.20 2.85 -1.26 -4.94 115.26 121.15 1oee n ASN 98 Ca 0.53 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.65 1oee n ASN 98 Cb 0.28 -0.10 -0.06 0.00 1.24 0.00 0.00 39.78 41.14 1oee n ASN 98 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1oee s GLU 99 N 0.00 3.99 -0.11 1.20 8.01 -1.15 -5.10 118.70 125.55 1oee s GLU 99 Ca 0.00 0.51 -0.05 0.00 0.01 0.00 0.00 54.97 55.45 1oee s GLU 99 Cb 0.00 -2.91 0.05 0.00 -4.31 0.00 0.00 34.13 26.96 1oee s GLU 99 CO 0.00 0.46 0.23 0.99 0.01 0.00 0.00 175.26 176.95 1oee s THR 100 N -1.49 -0.17 0.21 3.63 2.01 -1.26 -0.07 115.64 118.50 1oee s THR 100 Ca 0.39 0.21 0.10 0.00 0.31 0.00 0.00 61.69 62.70 1oee s THR 100 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1oee s THR 100 CO 0.19 0.09 -0.16 0.42 -0.69 0.00 0.00 174.62 174.47 1oee s THR 101 N 1.67 2.78 0.10 -0.82 -4.23 -0.81 -4.98 115.64 109.36 1oee s THR 101 Ca -0.05 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 1oee s THR 101 Cb -0.11 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1oee s THR 101 CO -0.08 -0.19 0.46 -0.94 -0.54 0.00 0.00 174.62 173.33 1oee s SER 102 N -2.99 -0.34 -0.00 3.99 1.04 -1.26 -0.37 113.70 113.76 1oee s SER 102 Ca 0.25 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.32 1oee s SER 102 Cb -0.08 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1oee s SER 102 CO 0.14 -0.82 0.54 0.00 0.98 0.00 0.00 173.24 174.07 1oee s LYS 104 N -1.72 3.71 0.43 0.00 2.20 -1.26 -1.49 119.74 121.61 1oee s LYS 104 Ca -0.09 -2.04 -0.24 0.00 -0.36 0.00 0.00 55.97 53.23 1oee s LYS 104 Cb -0.01 -4.88 -0.08 0.00 -1.51 0.00 0.00 37.83 31.35 1oee s LYS 104 CO 0.04 -1.70 1.20 0.71 -0.36 0.00 0.00 175.35 175.23 1oee s TYR 105 N 2.07 2.91 -0.06 4.03 2.02 -1.15 -4.70 117.35 122.46 1oee s TYR 105 Ca 0.33 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.39 1oee s TYR 105 Cb -0.05 -3.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.01 1oee s TYR 105 CO -0.08 -1.59 0.40 -0.51 -1.57 0.00 0.00 175.55 172.21 1oee s ASP 106 N -1.17 6.70 0.34 2.29 1.01 0.63 -4.87 116.67 121.61 1oee s ASP 106 Ca 0.61 0.83 -0.28 0.00 0.71 0.00 0.00 52.55 54.42 1oee s ASP 106 Cb -0.31 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1oee s ASP 106 CO 0.39 0.19 1.25 -0.47 0.21 0.00 0.00 175.17 176.74 1oee s TYR 107 N -0.31 3.11 -0.02 4.23 5.04 -1.26 -0.78 117.35 127.36 1oee s TYR 107 Ca 0.23 1.49 0.03 0.00 -2.44 0.00 0.00 57.07 56.38 1oee s TYR 107 Cb -0.15 -3.57 0.05 0.00 0.35 0.00 0.00 41.96 38.64 1oee s TYR 107 CO 0.11 -1.58 0.86 -3.47 -1.34 0.00 0.00 175.55 170.13 1oee n ASP 108 N 0.66 1.07 0.00 4.32 2.03 -0.32 -4.89 116.55 119.41 1oee n ASP 108 Ca 0.01 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.46 1oee n ASP 108 Cb 0.43 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1oee n ASP 108 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1oee n GLY 109 N -0.41 -0.45 3.20 0.27 0.00 -1.24 -4.84 105.19 101.72 1oee n GLY 109 Ca 0.03 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1oee n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oee s TYR 110 N 0.00 0.76 -0.03 1.61 -0.85 -1.26 -0.46 117.35 117.11 1oee s TYR 110 Ca 0.00 -1.12 0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1oee s TYR 110 Cb 0.00 -0.38 0.01 0.00 0.38 0.00 0.00 41.96 41.98 1oee s TYR 110 CO 0.00 -0.58 -0.05 0.15 -1.52 0.00 0.00 175.55 173.55 1oee s LYS 111 N -4.03 0.75 -0.03 -3.49 -0.14 -0.53 -4.96 119.74 107.30 1oee s LYS 111 Ca 0.23 -0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.46 1oee s LYS 111 Cb 0.06 -0.75 -0.05 0.00 -1.68 0.00 0.00 37.83 35.42 1oee s LYS 111 CO 0.02 0.00 0.64 0.42 -0.76 0.00 0.00 175.35 175.67 1oee s ILE 112 N 0.54 4.96 -0.03 2.17 1.01 -1.26 -1.24 121.20 127.34 1oee s ILE 112 Ca -0.07 1.33 0.07 0.00 0.00 0.00 0.00 60.65 61.98 1oee s ILE 112 Cb -0.11 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1oee s ILE 112 CO 0.00 0.35 -0.25 -0.76 0.00 0.00 0.00 174.94 174.27 1oee s LEU 113 N 0.24 2.05 -0.26 2.97 1.43 -0.26 -5.01 118.68 119.85 1oee s LEU 113 Ca 0.34 -0.48 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1oee s LEU 113 Cb -0.18 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1oee s LEU 113 CO 0.18 0.28 0.05 -0.89 0.23 0.00 0.00 176.35 176.20 1oee s THR 114 N -0.42 3.98 0.73 5.49 2.01 -1.26 -1.64 115.64 124.53 1oee s THR 114 Ca 0.04 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1oee s THR 114 Cb -0.11 -2.94 0.08 0.00 0.01 0.00 0.00 72.50 69.54 1oee s THR 114 CO 0.01 0.24 1.04 -0.31 -0.69 0.00 0.00 174.62 174.91 1oee s TYR 115 N 1.54 2.65 0.36 4.92 2.02 -0.35 -4.94 117.35 123.55 1oee s TYR 115 Ca 0.05 0.35 0.06 0.00 -0.37 0.00 0.00 57.07 57.16 1oee s TYR 115 Cb -0.16 -3.27 0.70 0.00 -0.40 0.00 0.00 41.96 38.83 1oee s TYR 115 CO 0.02 -1.57 1.93 0.87 -1.57 0.00 0.00 175.55 175.23 1oee h LYS 116 N -0.70 0.49 0.00 -0.62 6.56 -2.00 0.18 116.57 120.49 1oee h LYS 116 Ca -0.44 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1oee h LYS 116 Cb 1.30 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1oee h LYS 116 CO 0.56 0.47 0.00 -1.13 -2.06 0.00 0.00 179.45 177.29 1oee n SER 117 N -4.33 0.00 0.00 0.86 3.41 -1.26 -4.86 113.62 107.44 1oee n SER 117 Ca 0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1oee n SER 117 Cb 0.20 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1oee n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oee n GLY 118 N -0.69 1.11 3.87 5.00 0.00 0.05 -5.02 105.19 109.51 1oee n GLY 118 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1oee n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oee s LYS 119 N -0.05 3.13 0.20 1.61 -0.14 -1.26 -4.84 119.74 118.39 1oee s LYS 119 Ca 0.00 0.63 0.09 0.00 -1.36 0.00 0.00 55.97 55.33 1oee s LYS 119 Cb 0.00 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 1oee s LYS 119 CO 0.00 -0.88 -0.18 0.15 -0.76 0.00 0.00 175.35 173.68 1oee s LYS 120 N -5.25 1.38 0.19 1.68 1.02 0.01 -1.21 119.74 117.56 1oee s LYS 120 Ca 0.57 -1.54 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1oee s LYS 120 Cb -0.11 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1oee s LYS 120 CO 0.53 0.26 0.32 0.20 -0.92 0.00 0.00 175.35 175.74 1oee s GLY 121 N -3.02 0.61 -0.06 -3.33 0.00 -0.65 -4.22 107.32 96.64 1oee s GLY 121 Ca 0.21 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1oee s GLY 121 CO 0.08 -0.84 -0.17 0.14 0.00 0.00 0.00 173.10 172.31 1oee s VAL 122 N -4.00 1.44 -0.15 1.40 1.01 -1.26 -1.11 120.40 117.73 1oee s VAL 122 Ca 0.21 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 1oee s VAL 122 Cb 0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1oee s VAL 122 CO 0.04 0.42 0.32 -0.13 0.00 0.00 0.00 175.10 175.75 1oee s ARG 123 N 0.34 4.27 -0.27 2.72 1.81 -0.37 -4.56 118.95 122.88 1oee s ARG 123 Ca -0.11 0.15 -0.09 0.00 -1.72 0.00 0.00 55.73 53.96 1oee s ARG 123 Cb -0.14 -3.43 -0.04 0.00 -0.45 0.00 0.00 34.95 30.89 1oee s ARG 123 CO 0.04 0.23 0.14 0.71 -0.68 0.00 0.00 175.30 175.73 1oee s TYR 124 N 0.49 3.16 -0.13 -0.53 2.02 0.46 -1.46 117.35 121.36 1oee s TYR 124 Ca 0.18 -0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.60 1oee s TYR 124 Cb -0.13 -2.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 1oee s TYR 124 CO 0.05 -0.28 0.17 -0.51 -1.57 0.00 0.00 175.55 173.40 1oee s LEU 125 N 1.68 4.34 0.05 -1.29 1.02 0.39 -0.80 118.68 124.07 1oee s LEU 125 Ca 0.06 0.45 -0.00 0.00 0.02 0.00 0.00 54.13 54.66 1oee s LEU 125 Cb -0.16 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 1oee s LEU 125 CO 0.07 0.33 -0.03 -0.36 0.02 0.00 0.00 176.35 176.38 1oee s PHE 126 N -0.60 0.50 -0.02 0.29 0.08 -0.54 -1.18 117.98 116.50 1oee s PHE 126 Ca 0.14 -0.92 -0.01 0.00 0.12 0.00 0.00 56.93 56.26 1oee s PHE 126 Cb -0.12 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 1oee s PHE 126 CO 0.03 -0.31 0.04 -2.00 -0.10 0.00 0.00 175.22 172.89 1oee s GLU 127 N -3.30 -0.01 -0.21 0.44 2.12 0.04 -1.61 118.70 116.17 1oee s GLU 127 Ca 0.02 0.18 -0.25 0.00 0.36 0.00 0.00 54.97 55.28 1oee s GLU 127 Cb 0.03 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 1oee s GLU 127 CO -0.07 -0.13 0.83 0.00 -0.54 0.00 0.00 175.26 175.34 1oee n LYS 129 N 5.69 2.18 -3.31 0.00 5.02 -1.26 -4.80 118.16 121.67 1oee n LYS 129 Ca 0.05 -2.82 -0.43 0.00 -2.02 0.00 0.00 58.31 53.09 1oee n LYS 129 Cb 0.48 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 1oee n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1oee s ASP 130 N -2.38 6.20 0.49 4.39 -1.08 -1.26 -4.92 116.67 118.10 1oee s ASP 130 Ca 0.39 -0.63 0.33 0.00 -0.52 0.00 0.00 52.55 52.11 1oee s ASP 130 Cb 0.33 -2.23 1.52 0.00 -1.46 0.00 0.00 42.92 41.09 1oee s ASP 130 CO 0.05 -0.58 1.98 1.55 0.52 0.00 0.00 175.17 178.69 1oee h PRO 131 N 8.72 0.00 0.00 4.34 0.13 -2.04 -2.28 132.00 140.87 1oee h PRO 131 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1oee h PRO 131 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1oee h PRO 131 CO 0.79 0.00 -0.47 0.93 -0.23 0.00 0.00 178.00 179.02 1oee h GLU 132 N 0.00 0.00 -6.95 0.86 4.39 -2.01 -3.47 114.58 107.40 1oee h GLU 132 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 1oee h GLU 132 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1oee h GLU 132 CO 0.00 0.00 0.38 0.45 -1.16 0.00 0.00 179.01 178.68 1oee s SER 133 N -5.00 6.97 0.00 1.42 0.15 -0.86 -4.97 113.70 111.41 1oee s SER 133 Ca 0.05 1.91 0.21 0.00 0.70 0.00 0.00 55.95 58.83 1oee s SER 133 Cb 0.10 -2.58 0.58 0.00 -1.71 0.00 0.00 66.02 62.42 1oee s SER 133 CO 0.71 -0.33 1.49 0.29 1.20 0.00 0.00 173.24 176.59 1oee n LYS 134 N 0.03 2.55 -1.84 5.44 4.01 -1.26 -5.00 118.16 122.09 1oee n LYS 134 Ca 0.04 -2.40 -0.31 0.00 -0.51 0.00 0.00 58.31 55.14 1oee n LYS 134 Cb 0.50 -1.52 0.02 0.00 -0.51 0.00 0.00 35.03 33.52 1oee n LYS 134 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1oee s ALA 135 N -1.15 3.00 0.31 7.82 0.00 -1.26 -4.92 121.76 125.56 1oee s ALA 135 Ca 0.44 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1oee s ALA 135 Cb 0.23 -3.08 -0.13 0.00 0.00 0.00 0.00 23.12 20.15 1oee s ALA 135 CO 0.31 -0.85 1.34 -0.35 0.00 0.00 0.00 175.76 176.21 1oee n PRO 136 N -2.85 2.13 -0.22 0.00 -0.04 -1.26 -4.91 135.00 127.85 1oee n PRO 136 Ca 0.06 0.75 -0.03 0.00 -0.04 0.00 0.00 63.50 64.25 1oee n PRO 136 Cb 0.55 -2.36 0.08 0.00 -0.04 0.00 0.00 33.50 31.72 1oee n PRO 136 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1oee h LYS 137 N 3.11 0.67 -5.71 0.54 3.64 -1.84 -3.38 116.57 113.60 1oee h LYS 137 Ca -0.46 -0.04 -0.60 0.00 -1.27 0.00 0.00 60.65 58.29 1oee h LYS 137 Cb 1.28 -0.15 -0.30 0.00 -0.41 0.00 0.00 32.23 32.64 1oee h LYS 137 CO 0.67 0.44 -0.85 0.71 -2.27 0.00 0.00 179.45 178.15 1oee s TYR 138 N -6.11 1.86 0.08 1.91 2.02 -0.40 0.10 117.35 116.81 1oee s TYR 138 Ca -0.13 -0.45 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1oee s TYR 138 Cb 0.15 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1oee s TYR 138 CO 0.76 -0.11 -0.06 0.96 -1.57 0.00 0.00 175.55 175.53 1oee s ILE 139 N -0.23 0.56 -0.04 2.71 -4.36 -0.63 -2.26 121.20 116.95 1oee s ILE 139 Ca 0.02 -1.79 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 1oee s ILE 139 Cb -0.10 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.12 1oee s ILE 139 CO 0.01 -0.84 0.09 -1.10 0.24 0.00 0.00 174.94 173.34 1oee s GLN 140 N -3.55 0.10 -0.09 0.37 -0.21 -0.68 -1.47 119.66 114.13 1oee s GLN 140 Ca 0.08 0.14 -0.01 0.00 0.02 0.00 0.00 55.36 55.59 1oee s GLN 140 Cb 0.04 0.03 -0.03 0.00 1.00 0.00 0.00 33.01 34.05 1oee s GLN 140 CO -0.05 -0.03 -0.04 -0.06 -2.12 0.00 0.00 175.29 172.99 1oee s PHE 141 N 0.14 3.03 -0.05 0.91 0.08 0.02 -1.62 117.98 120.49 1oee s PHE 141 Ca -0.01 0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 1oee s PHE 141 Cb -0.02 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1oee s PHE 141 CO -0.00 0.32 0.02 0.45 -0.10 0.00 0.00 175.22 175.90 1oee s SER 142 N -0.63 1.12 -0.04 1.36 0.15 -0.53 -0.40 113.70 114.73 1oee s SER 142 Ca 0.10 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.85 1oee s SER 142 Cb -0.12 -0.29 0.23 0.00 -1.71 0.00 0.00 66.02 64.13 1oee s SER 142 CO 0.02 -0.18 1.11 -0.90 1.20 0.00 0.00 173.24 174.49 1oee n ASP 143 N 4.88 -0.07 -1.21 5.45 5.75 -1.26 -0.11 116.55 129.98 1oee n ASP 143 Ca -0.12 -2.02 -0.16 0.00 -0.01 0.00 0.00 54.79 52.49 1oee n ASP 143 Cb 0.50 0.04 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 1oee n ASP 143 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1oee n HIS 144 N 0.07 0.00 -5.17 2.11 8.25 -1.26 -4.91 115.22 114.31 1oee n HIS 144 Ca -0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.05 1oee n HIS 144 Cb 0.90 -2.89 -0.16 0.00 1.12 0.00 0.00 29.99 28.96 1oee n HIS 144 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1oee s ILE 145 N -2.50 1.88 0.00 1.59 1.01 -1.26 -3.26 121.20 118.65 1oee s ILE 145 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1oee s ILE 145 Cb 0.00 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1oee s ILE 145 CO 0.00 0.53 0.91 2.30 0.00 0.00 0.00 174.94 178.68 1oee n ILE 146 N 2.74 0.84 -3.45 2.92 -5.35 -1.26 -4.80 119.36 110.99 1oee n ILE 146 Ca -0.17 -0.88 -0.13 0.00 -0.27 0.00 0.00 62.75 61.30 1oee n ILE 146 Cb 0.52 0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 38.98 1oee n ILE 146 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oee s ALA 147 N -0.84 -1.64 -0.50 -1.28 0.00 -1.26 -0.25 121.76 116.00 1oee s ALA 147 Ca 0.00 0.69 -0.47 0.00 0.00 0.00 0.00 51.96 52.19 1oee s ALA 147 Cb 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 23.12 23.58 1oee s ALA 147 CO 0.00 -0.67 1.64 -2.30 0.00 0.00 0.00 175.76 174.43 1oee n PRO 148 N -0.05 0.02 -3.65 0.00 -0.02 -1.26 -4.92 135.00 125.12 1oee n PRO 148 Ca -0.18 0.01 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 1oee n PRO 148 Cb 0.63 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 1oee n PRO 148 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1oee s ARG 149 N 3.20 0.24 0.19 -0.52 3.52 -1.26 -5.13 118.95 119.18 1oee s ARG 149 Ca 1.06 0.38 -0.33 0.00 -0.13 0.00 0.00 55.73 56.71 1oee s ARG 149 Cb -1.49 0.06 -0.13 0.00 -1.56 0.00 0.00 34.95 31.82 1oee s ARG 149 CO 0.81 -0.05 1.58 1.63 -0.81 0.00 0.00 175.30 178.46 1oee n LYS 150 N 3.15 2.27 -2.37 5.12 4.76 -1.26 -4.86 118.16 124.97 1oee n LYS 150 Ca -0.17 0.82 -0.39 0.00 -2.87 0.00 0.00 58.31 55.70 1oee n LYS 150 Cb 0.57 -2.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.14 1oee n LYS 150 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1oee s SER 151 N 0.85 6.93 -0.01 4.39 0.15 -0.50 -4.97 113.70 120.54 1oee s SER 151 Ca 0.76 2.34 0.20 0.00 0.70 0.00 0.00 55.95 59.94 1oee s SER 151 Cb -0.64 -2.62 -0.24 0.00 -1.71 0.00 0.00 66.02 60.81 1oee s SER 151 CO 0.39 -0.39 0.71 -1.54 1.20 0.00 0.00 173.24 173.61 1oee n SER 152 N 0.70 0.76 -3.60 5.45 3.41 -1.26 -4.96 113.62 114.11 1oee n SER 152 Ca 0.01 -0.66 -0.04 0.00 -0.26 0.00 0.00 58.87 57.92 1oee n SER 152 Cb 0.45 1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 65.67 1oee n SER 152 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1oee s HIS 153 N -3.01 -0.12 0.06 7.33 -3.43 -1.26 -4.32 115.29 110.53 1oee s HIS 153 Ca 0.03 0.09 -0.10 0.00 -0.80 0.00 0.00 55.06 54.27 1oee s HIS 153 Cb 0.14 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 1oee s HIS 153 CO 0.81 -0.18 0.21 -0.59 -2.00 0.00 0.00 174.74 172.99 1oee s PHE 154 N -2.29 0.06 -0.09 0.38 -0.12 -0.65 -4.68 117.98 110.59 1oee s PHE 154 Ca 0.09 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1oee s PHE 154 Cb -0.01 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 1oee s PHE 154 CO -0.04 -0.49 -0.01 -1.01 -0.05 0.00 0.00 175.22 173.61 1oee s HIS 155 N -3.11 3.11 0.04 3.49 3.76 0.84 -1.45 115.29 121.96 1oee s HIS 155 Ca -0.01 0.11 0.06 0.00 -0.15 0.00 0.00 55.06 55.07 1oee s HIS 155 Cb 0.01 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 1oee s HIS 155 CO -0.07 0.38 -0.17 -1.50 -0.85 0.00 0.00 174.74 172.53 1oee s ILE 156 N -0.69 1.37 -0.02 0.60 2.07 -0.61 -1.46 121.20 122.47 1oee s ILE 156 Ca 0.11 -1.05 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 1oee s ILE 156 Cb -0.12 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.25 1oee s ILE 156 CO 0.02 0.13 -0.23 -0.36 -1.91 0.00 0.00 174.94 172.59 1oee s PHE 157 N -0.77 2.08 -0.02 3.50 0.08 -0.64 -3.73 117.98 118.47 1oee s PHE 157 Ca 0.05 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1oee s PHE 157 Cb -0.08 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 1oee s PHE 157 CO 0.01 -0.05 0.10 -1.64 -0.10 0.00 0.00 175.22 173.55 1oee s MET 158 N -0.51 0.26 0.00 0.44 -1.94 -1.26 -1.68 119.30 114.60 1oee s MET 158 Ca 0.08 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1oee s MET 158 Cb -0.09 0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.86 1oee s MET 158 CO -0.01 -0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1oee n GLY 159 N 2.39 -1.31 0.00 -0.03 0.00 -0.96 -5.03 105.19 100.25 1oee n GLY 159 Ca -0.17 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1oee n GLY 159 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oee n ASN 160 N 0.39 0.59 -0.04 1.61 3.02 -1.26 -1.27 115.26 118.30 1oee n ASN 160 Ca 0.00 -0.83 -0.02 0.00 -0.03 0.00 0.00 54.58 53.70 1oee n ASN 160 Cb 0.00 0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 1oee n ASN 160 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1oee h ASP 161 N 0.00 0.00 -4.98 6.41 3.32 -1.97 -3.47 116.42 115.73 1oee h ASP 161 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1oee h ASP 161 Cb 0.06 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.51 1oee h ASP 161 CO 0.00 0.43 0.24 -0.94 -1.72 0.00 0.00 179.24 177.26 1oee s SER 162 N -4.84 -0.47 0.22 6.45 1.04 -1.26 -5.02 113.70 109.83 1oee s SER 162 Ca -0.07 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 1oee s SER 162 Cb 0.01 0.61 0.20 0.00 0.10 0.00 0.00 66.02 66.94 1oee s SER 162 CO 0.10 -1.03 1.76 1.56 0.98 0.00 0.00 173.24 176.61 1oee h GLN 163 N 2.00 1.09 -0.69 4.02 1.08 -1.97 -3.22 115.11 117.43 1oee h GLN 163 Ca -0.29 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 1oee h GLN 163 Cb 1.29 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 1oee h GLN 163 CO 0.33 0.94 0.28 0.37 -0.95 0.00 0.00 178.83 179.80 1oee h GLN 164 N 1.05 1.01 -0.79 1.46 5.75 -1.99 0.05 115.11 121.66 1oee h GLN 164 Ca 0.23 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.62 1oee h GLN 164 Cb 0.30 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 1oee h GLN 164 CO -0.01 0.82 0.48 1.03 -2.65 0.00 0.00 178.83 178.50 1oee h SER 165 N 0.99 0.74 -0.19 -0.69 0.87 -1.96 -1.97 113.55 111.35 1oee h SER 165 Ca 0.23 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1oee h SER 165 Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1oee h SER 165 CO -0.02 0.48 -0.32 -0.07 -0.53 0.00 0.00 176.83 176.37 1oee h LEU 166 N 0.88 0.73 -1.76 2.23 3.38 -1.37 -2.91 115.31 116.48 1oee h LEU 166 Ca 0.34 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1oee h LEU 166 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1oee h LEU 166 CO -0.17 1.00 0.23 -0.07 0.09 0.00 0.00 178.44 179.52 1oee h LEU 167 N 0.59 0.27 0.00 1.67 3.38 -0.26 -1.54 115.31 119.42 1oee h LEU 167 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1oee h LEU 167 Cb 0.84 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1oee h LEU 167 CO 0.07 0.18 -0.18 0.59 0.09 0.00 0.00 178.44 179.20 1oee n ASN 168 N -4.49 0.61 -4.68 -0.43 3.02 -0.99 -4.87 115.26 103.43 1oee n ASN 168 Ca 0.03 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 1oee n ASN 168 Cb 0.19 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1oee n ASN 168 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1oee s GLU 169 N -3.09 4.17 0.00 3.52 2.56 -0.58 -4.83 118.70 120.45 1oee s GLU 169 Ca 0.10 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.53 1oee s GLU 169 Cb 0.14 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.54 1oee s GLU 169 CO 0.62 -0.82 0.14 -1.33 -0.56 0.00 0.00 175.26 173.31 1oee n MET 170 N 6.12 -0.05 -0.10 4.30 2.81 -1.26 -4.90 117.12 124.03 1oee n MET 170 Ca 0.17 -0.14 -0.24 0.00 -1.81 0.00 0.00 57.70 55.69 1oee n MET 170 Cb 0.40 -0.60 -0.12 0.00 -0.71 0.00 0.00 33.22 32.19 1oee n MET 170 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1oee n GLU 171 N -0.03 0.63 -4.48 0.03 2.13 -1.26 -4.92 120.64 112.74 1oee n GLU 171 Ca 0.00 0.31 -0.33 0.00 0.66 0.00 0.00 57.16 57.80 1oee n GLU 171 Cb 0.16 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.12 1oee n GLU 171 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1oee s ASN 172 N -7.04 3.63 -0.43 4.31 2.47 -1.26 -2.69 114.94 113.92 1oee s ASN 172 Ca -0.33 -0.48 0.06 0.00 0.42 0.00 0.00 52.86 52.53 1oee s ASN 172 Cb 0.10 -1.56 0.20 0.00 -1.45 0.00 0.00 41.25 38.54 1oee s ASN 172 CO 0.59 0.07 0.51 -2.67 -3.72 0.00 0.00 177.10 171.88 1oee n TRP 173 N 4.13 -1.51 -1.55 0.43 4.27 0.13 -4.96 117.44 118.38 1oee n TRP 173 Ca -0.19 -2.90 -0.49 0.00 -3.89 0.00 0.00 57.50 50.04 1oee n TRP 173 Cb 0.52 0.43 -0.04 0.00 -1.36 0.00 0.00 31.31 30.86 1oee n TRP 173 CO 0.00 0.00 0.00 -2.30 -2.29 0.00 0.00 177.69 173.10 1oee n PRO 174 N 2.36 0.97 -4.88 -2.67 -0.02 -1.16 -4.54 135.00 125.06 1oee n PRO 174 Ca 0.24 0.34 -0.25 0.00 -2.02 0.00 0.00 63.50 61.81 1oee n PRO 174 Cb 0.52 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.09 1oee n PRO 174 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1oee s THR 175 N -0.45 1.44 -0.05 3.45 2.01 -1.26 -1.57 115.64 119.21 1oee s THR 175 Ca 0.70 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1oee s THR 175 Cb -0.86 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 70.47 1oee s THR 175 CO 0.54 0.41 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.56 1oee s TYR 176 N -0.36 0.59 0.25 4.92 2.02 -0.53 -1.59 117.35 122.64 1oee s TYR 176 Ca 0.06 -0.13 0.09 0.00 -0.37 0.00 0.00 57.07 56.71 1oee s TYR 176 Cb -0.08 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 1oee s TYR 176 CO -0.00 -0.22 0.05 0.71 -1.57 0.00 0.00 175.55 174.52 1oee s TYR 177 N 1.32 2.83 0.23 2.71 2.02 -0.66 -1.64 117.35 124.16 1oee s TYR 177 Ca -0.05 -0.18 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 1oee s TYR 177 Cb -0.13 -1.28 -0.14 0.00 -0.40 0.00 0.00 41.96 40.01 1oee s TYR 177 CO -0.02 0.58 1.27 -2.30 -1.57 0.00 0.00 175.55 173.51 1oee n PRO 178 N -0.84 1.66 0.12 -1.71 -0.02 -1.26 -0.35 135.00 132.61 1oee n PRO 178 Ca -0.07 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1oee n PRO 178 Cb 0.58 -2.16 0.48 0.00 -0.02 0.00 0.00 33.50 32.38 1oee n PRO 178 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1oee n TYR 179 N 1.48 0.66 1.14 6.00 -0.00 -0.21 -2.17 117.16 124.07 1oee n TYR 179 Ca 0.12 0.29 0.14 0.00 -0.00 0.00 0.00 57.90 58.45 1oee n TYR 179 Cb 0.29 -0.97 0.53 0.00 -0.00 0.00 0.00 39.34 39.20 1oee n TYR 179 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1oee n GLN 180 N -2.13 0.22 -2.46 -3.48 0.00 -1.26 -4.82 117.38 103.44 1oee n GLN 180 Ca 0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 57.00 56.53 1oee n GLN 180 Cb 0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.86 1oee n GLN 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1oee s LEU 181 N -2.83 4.39 0.91 2.61 1.43 -0.92 -5.03 118.68 119.24 1oee s LEU 181 Ca 0.18 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 1oee s LEU 181 Cb 0.19 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.97 1oee s LEU 181 CO 0.55 -0.41 1.11 -0.94 0.23 0.00 0.00 176.35 176.90 1oee s SER 182 N 0.85 3.13 0.32 2.29 1.04 -1.26 -4.83 113.70 115.23 1oee s SER 182 Ca 0.56 1.94 -0.00 0.00 0.48 0.00 0.00 55.95 58.93 1oee s SER 182 Cb -0.29 -2.48 0.51 0.00 0.10 0.00 0.00 66.02 63.87 1oee s SER 182 CO 0.30 -2.93 1.97 0.77 0.98 0.00 0.00 173.24 174.34 1oee h SER 183 N -1.75 0.85 -0.54 7.02 4.64 -1.99 -1.31 113.55 120.47 1oee h SER 183 Ca -0.46 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1oee h SER 183 Cb 1.27 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1oee h SER 183 CO 0.46 0.63 0.29 -0.33 -0.87 0.00 0.00 176.83 177.02 1oee h GLU 184 N 0.99 0.76 -0.31 4.77 3.07 -1.97 -1.43 114.58 120.46 1oee h GLU 184 Ca 0.26 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 1oee h GLU 184 Cb -0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1oee h GLU 184 CO -0.05 0.59 -0.32 1.49 -1.40 0.00 0.00 179.01 179.32 1oee h GLU 185 N 0.73 0.67 -0.67 2.33 4.57 -1.80 0.32 114.58 120.73 1oee h GLU 185 Ca 0.19 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1oee h GLU 185 Cb 0.06 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1oee h GLU 185 CO -0.03 0.90 0.33 0.28 -1.18 0.00 0.00 179.01 179.32 1oee h VAL 186 N 0.57 1.22 -0.51 0.32 2.07 -1.06 -0.70 116.25 118.16 1oee h VAL 186 Ca 0.06 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1oee h VAL 186 Cb 0.83 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1oee h VAL 186 CO 0.07 0.25 0.31 0.58 0.02 0.00 0.00 177.57 178.80 1oee h VAL 187 N 0.92 1.15 -0.16 2.57 2.07 -0.91 -1.75 116.25 120.14 1oee h VAL 187 Ca 0.23 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1oee h VAL 187 Cb 0.10 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1oee h VAL 187 CO -0.03 0.16 0.10 -0.08 0.02 0.00 0.00 177.57 177.73 1oee h GLU 188 N 0.68 0.22 -0.79 1.57 4.57 -0.74 -1.20 114.58 118.89 1oee h GLU 188 Ca 0.18 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1oee h GLU 188 Cb -0.02 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 1oee h GLU 188 CO -0.03 0.20 0.50 0.93 -1.18 0.00 0.00 179.01 179.42 1oee h GLU 189 N 0.18 0.93 0.00 1.92 4.39 -1.00 -0.78 114.58 120.22 1oee h GLU 189 Ca 0.06 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1oee h GLU 189 Cb 0.03 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1oee h GLU 189 CO -0.01 0.62 -0.35 0.52 -1.16 0.00 0.00 179.01 178.62 1oee h MET 190 N 0.96 0.00 0.00 2.33 2.86 -1.06 -0.87 114.93 119.15 1oee h MET 190 Ca 0.32 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1oee h MET 190 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1oee h MET 190 CO -0.13 0.35 -0.70 0.52 1.06 0.00 0.00 176.91 178.02 1oee h MET 191 N 0.00 0.00 0.00 1.72 2.86 -0.46 -3.44 114.93 115.62 1oee h MET 191 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1oee h MET 191 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1oee h MET 191 CO 0.05 0.70 -0.59 0.43 1.06 0.00 0.00 176.91 178.55 1oee n SER 192 N -3.40 0.33 0.00 1.22 7.64 -0.37 -5.09 113.62 113.95 1oee n SER 192 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1oee n SER 192 Cb 0.77 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1oee n SER 192 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60