#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aca n GLY 9 N 0.00 1.18 0.34 1.08 0.00 -1.25 -4.85 105.19 101.69 2aca n GLY 9 Ca 0.00 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.39 2aca n GLY 9 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2aca h GLN 10 N 0.00 0.00 -4.85 1.61 4.15 -1.73 -3.39 115.11 110.90 2aca h GLN 10 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.77 2aca h GLN 10 Cb 0.00 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 27.33 2aca h GLN 10 CO 0.00 0.00 -0.83 -0.06 -1.93 0.00 0.00 178.83 176.01 2aca s PHE 11 N -4.05 2.82 -0.24 3.99 0.08 -0.97 -1.20 117.98 118.42 2aca s PHE 11 Ca -0.01 -1.85 0.02 0.00 0.12 0.00 0.00 56.93 55.22 2aca s PHE 11 Cb 0.03 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 2aca s PHE 11 CO 0.09 -0.81 -0.10 -2.00 -0.10 0.00 0.00 175.22 172.30 2aca s GLU 12 N 1.26 2.09 -0.06 0.44 2.12 -0.24 0.09 118.70 124.40 2aca s GLU 12 Ca -0.01 -1.17 -0.19 0.00 0.36 0.00 0.00 54.97 53.95 2aca s GLU 12 Cb -0.16 -2.74 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 2aca s GLU 12 CO -0.09 -0.54 0.54 0.14 -0.54 0.00 0.00 175.26 174.77 2aca s VAL 13 N 1.22 5.06 -0.07 3.70 -7.23 -1.04 -4.73 120.40 117.32 2aca s VAL 13 Ca -0.07 1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 61.16 2aca s VAL 13 Cb -0.19 -3.88 0.03 0.00 0.56 0.00 0.00 36.38 32.90 2aca s VAL 13 CO -0.06 0.37 0.17 -0.70 -0.31 0.00 0.00 175.10 174.57 2aca s GLU 14 N 0.22 0.17 -0.13 4.82 2.12 -1.26 -2.34 118.70 122.30 2aca s GLU 14 Ca 0.29 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.95 2aca s GLU 14 Cb -0.17 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.22 2aca s GLU 14 CO 0.14 -0.08 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.07 2aca s LEU 15 N 0.53 2.25 -0.11 2.70 1.02 -0.21 -4.96 118.68 119.90 2aca s LEU 15 Ca -0.04 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.55 2aca s LEU 15 Cb -0.05 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 2aca s LEU 15 CO -0.03 0.12 0.05 -0.75 0.02 0.00 0.00 176.35 175.77 2aca s LYS 16 N 0.56 3.23 0.12 1.70 2.20 -1.26 -1.46 119.74 124.84 2aca s LYS 16 Ca -0.12 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.22 2aca s LYS 16 Cb -0.17 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2aca s LYS 16 CO 0.04 0.68 -0.10 0.71 -0.36 0.00 0.00 175.35 176.32 2aca s TYR 17 N -0.80 1.16 -0.14 4.03 1.51 0.26 -0.26 117.35 123.11 2aca s TYR 17 Ca 0.13 -0.71 -0.15 0.00 -1.01 0.00 0.00 57.07 55.33 2aca s TYR 17 Cb -0.12 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 2aca s TYR 17 CO 0.03 0.04 0.35 0.50 -1.11 0.00 0.00 175.55 175.35 2aca s ARG 18 N -3.25 4.26 -0.29 -0.62 3.52 -0.74 0.54 118.95 122.37 2aca s ARG 18 Ca 0.11 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.86 2aca s ARG 18 Cb -0.00 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 29.99 2aca s ARG 18 CO 0.00 0.23 0.03 0.08 -0.81 0.00 0.00 175.30 174.84 2aca s VAL 19 N 0.46 3.46 -1.60 7.11 1.01 0.48 -4.86 120.40 126.45 2aca s VAL 19 Ca 0.19 -1.00 0.28 0.00 0.00 0.00 0.00 61.98 61.45 2aca s VAL 19 Cb -0.14 -2.85 0.34 0.00 0.00 0.00 0.00 36.38 33.73 2aca s VAL 19 CO 0.06 0.02 1.72 0.29 0.00 0.00 0.00 175.10 177.19 2aca n LYS 20 N 4.76 0.66 -3.56 2.72 5.02 -1.26 -4.00 118.16 122.50 2aca n LYS 20 Ca -0.14 -0.30 -0.24 0.00 -2.02 0.00 0.00 58.31 55.61 2aca n LYS 20 Cb 0.46 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 2aca n LYS 20 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2aca s ASN 21 N -2.55 2.25 0.00 4.39 3.04 -1.26 -5.06 114.94 115.74 2aca s ASN 21 Ca 0.25 -0.63 0.00 0.00 0.04 0.00 0.00 52.86 52.52 2aca s ASN 21 Cb 0.19 -0.05 0.00 0.00 -1.54 0.00 0.00 41.25 39.85 2aca s ASN 21 CO 0.51 -0.36 0.63 1.57 -3.04 0.00 0.00 177.10 176.41 2aca n HIS 22 N 5.29 0.00 -0.21 0.43 -0.00 -1.26 -1.58 115.22 117.89 2aca n HIS 22 Ca -0.06 0.00 0.28 0.00 -0.00 0.00 0.00 57.72 57.94 2aca n HIS 22 Cb 0.48 -0.40 0.69 0.00 -0.00 0.00 0.00 29.99 30.75 2aca n HIS 22 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2aca h ASP 23 N 0.00 0.08 0.42 0.26 1.82 -1.97 1.36 116.42 118.39 2aca h ASP 23 Ca 0.00 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 2aca h ASP 23 Cb 0.00 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2aca h ASP 23 CO 0.00 0.03 -0.20 0.00 -1.61 0.00 0.00 179.24 177.45 2aca h ALA 24 N 1.55 -0.56 -0.54 -0.78 0.00 -1.98 1.78 119.26 118.72 2aca h ALA 24 Ca 0.46 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2aca h ALA 24 Cb 1.69 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 2aca h ALA 24 CO -0.05 -0.70 0.28 0.35 0.00 0.00 0.00 179.25 179.13 2aca h PHE 25 N -0.80 0.51 -0.09 0.00 3.04 0.63 -2.15 116.94 118.08 2aca h PHE 25 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2aca h PHE 25 Cb 0.54 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 2aca h PHE 25 CO 0.00 0.25 0.05 1.25 -2.02 0.00 0.00 178.31 177.84 2aca h LEU 26 N 0.54 0.09 -1.71 0.59 7.12 0.19 -2.22 115.31 119.90 2aca h LEU 26 Ca 0.24 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.25 2aca h LEU 26 Cb 0.14 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 2aca h LEU 26 CO -0.16 0.07 0.00 0.59 -0.13 0.00 0.00 178.44 178.80 2aca n ASN 27 N -5.04 0.00 0.00 1.25 3.02 0.60 0.89 115.26 115.99 2aca n ASN 27 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2aca n ASN 27 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2aca n ASN 27 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2aca n VAL 29 N 0.61 0.00 -0.04 2.41 3.14 -0.84 -1.46 118.33 122.15 2aca n VAL 29 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2aca n VAL 29 Cb 0.00 0.00 0.47 0.00 -1.06 0.00 0.00 33.84 33.25 2aca n VAL 29 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2aca h LYS 30 N 0.00 0.45 -0.79 1.45 3.64 0.26 0.10 116.57 121.69 2aca h LYS 30 Ca 0.00 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 2aca h LYS 30 Cb 0.00 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.63 2aca h LYS 30 CO 0.00 0.30 0.18 1.04 -2.27 0.00 0.00 179.45 178.70 2aca n GLN 31 N -4.47 3.36 -4.43 1.90 6.02 -0.54 -4.90 117.38 114.32 2aca n GLN 31 Ca 0.07 -2.46 -0.21 0.00 -0.01 0.00 0.00 57.00 54.38 2aca n GLN 31 Cb 0.23 -2.05 -0.14 0.00 1.02 0.00 0.00 30.24 29.30 2aca n GLN 31 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2aca s ILE 32 N -2.47 1.23 -0.24 5.09 1.01 0.36 -5.10 121.20 121.08 2aca s ILE 32 Ca 0.44 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 2aca s ILE 32 Cb 0.35 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2aca s ILE 32 CO 0.11 0.07 1.34 -0.70 0.00 0.00 0.00 174.94 175.76 2aca s GLU 33 N -1.10 4.01 0.11 2.79 -6.30 -1.26 -4.96 118.70 111.98 2aca s GLU 33 Ca 0.03 1.46 -0.15 0.00 -2.50 0.00 0.00 54.97 53.80 2aca s GLU 33 Cb -0.08 -3.87 0.03 0.00 0.00 0.00 0.00 34.13 30.22 2aca s GLU 33 CO 0.01 -1.00 0.38 -3.38 0.02 0.00 0.00 175.26 171.29 2aca s HIS 34 N 4.19 -0.17 0.11 5.30 -3.43 -1.26 -4.77 115.29 115.26 2aca s HIS 34 Ca 0.58 -0.12 0.02 0.00 -0.80 0.00 0.00 55.06 54.74 2aca s HIS 34 Cb -0.20 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 31.13 2aca s HIS 34 CO 0.21 -0.67 0.19 -1.21 -2.00 0.00 0.00 174.74 171.27 2aca s GLU 35 N -3.63 3.23 0.50 -0.38 0.41 -0.12 -4.91 118.70 113.79 2aca s GLU 35 Ca 0.02 -0.62 0.03 0.00 -0.41 0.00 0.00 54.97 53.99 2aca s GLU 35 Cb 0.02 -2.88 -0.01 0.00 -1.78 0.00 0.00 34.13 29.48 2aca s GLU 35 CO -0.11 0.55 0.09 0.08 -0.49 0.00 0.00 175.26 175.39 2aca s VAL 36 N -1.61 1.44 0.21 2.63 1.01 -1.26 0.57 120.40 123.39 2aca s VAL 36 Ca 0.33 -1.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 2aca s VAL 36 Cb -0.12 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2aca s VAL 36 CO 0.26 0.00 0.43 0.72 0.00 0.00 0.00 175.10 176.51 2aca s PHE 38 N -2.82 3.48 0.03 5.22 -0.12 -1.19 -4.98 117.98 117.60 2aca s PHE 38 Ca 0.17 0.46 0.04 0.00 -0.05 0.00 0.00 56.93 57.55 2aca s PHE 38 Cb 0.02 -1.95 -0.02 0.00 -0.63 0.00 0.00 43.02 40.45 2aca s PHE 38 CO 0.10 0.34 -0.12 -1.21 -0.05 0.00 0.00 175.22 174.28 2aca s GLU 39 N -3.23 0.83 -1.46 1.99 2.02 -1.26 -1.50 118.70 116.08 2aca s GLU 39 Ca 0.40 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.62 2aca s GLU 39 Cb -0.11 -0.79 0.08 0.00 0.10 0.00 0.00 34.13 33.40 2aca s GLU 39 CO 0.28 0.20 0.73 0.09 0.02 0.00 0.00 175.26 176.58 2aca n ASN 40 N 2.04 -4.47 -4.93 -0.19 3.02 -0.99 -4.94 115.26 104.80 2aca n ASN 40 Ca -0.18 -0.58 -0.25 0.00 -0.03 0.00 0.00 54.58 53.54 2aca n ASN 40 Cb 0.55 -3.62 0.02 0.00 -0.61 0.00 0.00 39.78 36.12 2aca n ASN 40 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2aca s ASN 41 N -2.99 5.73 -0.20 6.41 0.02 -0.55 -4.81 114.94 118.55 2aca s ASN 41 Ca 0.53 0.60 -0.12 0.00 -1.02 0.00 0.00 52.86 52.84 2aca s ASN 41 Cb -0.27 -1.70 -0.05 0.00 0.02 0.00 0.00 41.25 39.26 2aca s ASN 41 CO 0.65 -0.91 0.22 -1.58 0.02 0.00 0.00 177.10 175.50 2aca s GLN 42 N -4.83 4.17 -0.17 -0.60 0.74 0.10 -0.37 119.66 118.70 2aca s GLN 42 Ca 0.52 -0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.81 2aca s GLN 42 Cb -0.10 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.52 2aca s GLN 42 CO 0.43 0.17 -0.07 -2.00 -0.55 0.00 0.00 175.29 173.27 2aca s GLU 43 N 0.71 3.46 -0.10 1.67 2.12 0.23 -1.49 118.70 125.30 2aca s GLU 43 Ca 0.12 -0.62 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 2aca s GLU 43 Cb -0.13 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 2aca s GLU 43 CO 0.03 0.05 -0.06 -1.12 -0.54 0.00 0.00 175.26 173.61 2aca s SER 44 N 0.83 4.66 -0.03 -1.70 0.01 -0.24 -1.29 113.70 115.95 2aca s SER 44 Ca -0.02 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.21 2aca s SER 44 Cb -0.15 -1.38 -0.01 0.00 0.21 0.00 0.00 66.02 64.69 2aca s SER 44 CO 0.01 0.29 -0.16 -1.81 0.41 0.00 0.00 173.24 171.98 2aca s ASP 45 N -0.40 2.00 -0.22 2.44 1.11 0.54 -1.81 116.67 120.33 2aca s ASP 45 Ca 0.06 -0.32 0.02 0.00 0.18 0.00 0.00 52.55 52.49 2aca s ASP 45 Cb -0.12 -0.42 0.05 0.00 1.07 0.00 0.00 42.92 43.49 2aca s ASP 45 CO 0.02 0.17 -0.11 0.26 1.18 0.00 0.00 175.17 176.69 2aca s TRP 46 N -0.12 2.78 -0.04 4.23 0.51 -0.25 -0.36 118.94 125.69 2aca s TRP 46 Ca 0.00 -1.89 -0.16 0.00 -2.12 0.00 0.00 56.10 51.93 2aca s TRP 46 Cb -0.09 -1.78 -0.05 0.00 -0.81 0.00 0.00 33.47 30.74 2aca s TRP 46 CO 0.01 -0.81 0.43 -0.06 -0.51 0.00 0.00 176.95 176.01 2aca s PHE 47 N 1.27 3.66 0.23 -1.98 0.40 0.19 -1.33 117.98 120.42 2aca s PHE 47 Ca -0.04 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.36 2aca s PHE 47 Cb -0.17 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.93 2aca s PHE 47 CO -0.07 0.49 -0.21 0.71 0.70 0.00 0.00 175.22 176.84 2aca s TYR 48 N -0.53 2.20 0.02 0.36 1.51 0.04 -0.43 117.35 120.53 2aca s TYR 48 Ca 0.24 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 2aca s TYR 48 Cb -0.16 -1.02 0.10 0.00 -0.11 0.00 0.00 41.96 40.76 2aca s TYR 48 CO 0.12 0.58 1.06 0.34 -1.11 0.00 0.00 175.55 176.53 2aca s ASP 49 N -3.11 -0.19 0.93 2.29 -1.08 -0.88 -4.07 116.67 110.56 2aca s ASP 49 Ca 0.25 -0.18 -0.15 0.00 -0.52 0.00 0.00 52.55 51.95 2aca s ASP 49 Cb -0.06 0.33 0.17 0.00 -1.46 0.00 0.00 42.92 41.91 2aca s ASP 49 CO 0.12 -0.59 1.28 0.42 0.52 0.00 0.00 175.17 176.92 2aca s THR 50 N -2.91 2.00 0.21 1.71 -4.23 -1.26 -0.79 115.64 110.37 2aca s THR 50 Ca 0.10 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 2aca s THR 50 Cb 0.00 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 71.00 2aca s THR 50 CO -0.03 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 175.24 2aca h PRO 51 N -1.51 0.81 -0.07 3.99 0.11 -1.97 -1.53 132.00 131.83 2aca h PRO 51 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2aca h PRO 51 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2aca h PRO 51 CO 0.45 0.54 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 2aca n GLN 52 N -4.68 1.24 -3.48 1.05 0.00 -1.26 -4.90 117.38 105.34 2aca n GLN 52 Ca 0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 57.00 56.52 2aca n GLN 52 Cb 0.11 -1.23 0.08 0.00 0.00 0.00 0.00 30.24 29.21 2aca n GLN 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2aca n ARG 53 N -0.34 -7.14 -0.16 2.61 5.12 -0.58 -4.91 116.66 111.26 2aca n ARG 53 Ca 0.10 0.81 -0.04 0.00 -1.93 0.00 0.00 57.85 56.79 2aca n ARG 53 Cb 0.12 -5.77 0.05 0.00 -1.16 0.00 0.00 32.46 25.70 2aca n ARG 53 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2aca h THR 54 N -2.27 0.93 -0.73 0.55 2.02 -1.91 -1.91 112.91 109.59 2aca h THR 54 Ca -0.56 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 2aca h THR 54 Cb 1.34 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2aca h THR 54 CO 0.52 0.08 0.29 -0.07 0.37 0.00 0.00 175.52 176.71 2aca h LEU 55 N 0.45 1.01 -0.91 2.58 3.38 -1.92 -2.54 115.31 117.37 2aca h LEU 55 Ca 0.22 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2aca h LEU 55 Cb 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2aca h LEU 55 CO -0.17 0.91 -0.04 0.74 0.09 0.00 0.00 178.44 179.96 2aca h THR 56 N 1.05 1.24 0.00 0.22 2.02 -1.55 0.12 112.91 116.02 2aca h THR 56 Ca 0.24 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.32 2aca h THR 56 Cb 0.21 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2aca h THR 56 CO -0.02 0.36 -0.27 1.56 0.37 0.00 0.00 175.52 177.52 2aca h GLN 57 N 0.70 0.00 -0.34 6.66 4.20 -1.14 -2.71 115.11 122.48 2aca h GLN 57 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2aca h GLN 57 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2aca h GLN 57 CO 0.03 0.27 0.00 1.04 -0.67 0.00 0.00 178.83 179.50 2aca n GLN 58 N -3.64 2.14 -2.51 1.46 1.13 -0.96 -4.94 117.38 110.06 2aca n GLN 58 Ca -0.01 -1.74 -0.06 0.00 -1.94 0.00 0.00 57.00 53.25 2aca n GLN 58 Cb 0.40 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 29.32 2aca n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2aca n GLY 59 N 1.32 0.37 3.31 1.08 0.00 -1.01 -4.70 105.19 105.56 2aca n GLY 59 Ca 0.18 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 2aca n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aca s LYS 60 N -4.92 1.20 -0.01 1.61 1.02 0.37 -4.06 119.74 114.96 2aca s LYS 60 Ca 0.09 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 54.70 2aca s LYS 60 Cb -0.04 -1.13 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2aca s LYS 60 CO 0.12 0.21 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.17 2aca s SER 61 N -2.77 0.61 -0.17 2.83 1.04 -0.63 -3.67 113.70 110.93 2aca s SER 61 Ca 0.15 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.50 2aca s SER 61 Cb -0.04 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.00 2aca s SER 61 CO 0.05 0.05 -0.18 -0.22 0.98 0.00 0.00 173.24 173.93 2aca s LEU 62 N -0.04 2.27 -0.01 2.42 2.96 -1.26 -1.11 118.68 123.92 2aca s LEU 62 Ca 0.01 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2aca s LEU 62 Cb -0.03 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 2aca s LEU 62 CO -0.00 0.03 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.30 2aca s VAL 63 N 1.14 0.54 -0.14 1.68 1.01 0.15 -0.78 120.40 124.01 2aca s VAL 63 Ca 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2aca s VAL 63 Cb -0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2aca s VAL 63 CO -0.07 0.16 -0.01 -0.76 0.00 0.00 0.00 175.10 174.42 2aca s LEU 64 N -0.12 3.47 -0.01 3.92 1.43 -0.44 0.28 118.68 127.21 2aca s LEU 64 Ca 0.02 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2aca s LEU 64 Cb -0.03 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2aca s LEU 64 CO -0.00 0.24 -0.03 -0.60 0.23 0.00 0.00 176.35 176.19 2aca s ARG 65 N -0.06 0.35 -0.05 1.70 3.52 0.05 -1.09 118.95 123.37 2aca s ARG 65 Ca 0.03 -0.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 2aca s ARG 65 Cb -0.13 -0.39 0.01 0.00 -1.56 0.00 0.00 34.95 32.88 2aca s ARG 65 CO 0.02 0.02 -0.11 -2.00 -0.81 0.00 0.00 175.30 172.42 2aca s GLU 66 N 0.26 1.37 -0.18 5.12 2.12 -0.75 0.18 118.70 126.82 2aca s GLU 66 Ca -0.03 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.94 2aca s GLU 66 Cb -0.06 -1.19 0.02 0.00 0.26 0.00 0.00 34.13 33.16 2aca s GLU 66 CO -0.01 0.08 -0.19 0.42 -0.54 0.00 0.00 175.26 175.02 2aca s ILE 67 N 0.42 2.02 0.12 -3.70 1.01 0.11 -1.08 121.20 120.10 2aca s ILE 67 Ca -0.09 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.74 2aca s ILE 67 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2aca s ILE 67 CO 0.02 0.53 -0.23 -1.10 0.00 0.00 0.00 174.94 174.16 2aca s GLN 68 N 1.31 1.25 -0.01 2.79 -0.21 -0.56 -0.12 119.66 124.11 2aca s GLN 68 Ca 0.05 -1.27 0.05 0.00 0.02 0.00 0.00 55.36 54.21 2aca s GLN 68 Cb -0.13 -1.59 0.14 0.00 1.00 0.00 0.00 33.01 32.43 2aca s GLN 68 CO -0.13 0.37 1.07 -0.35 -2.12 0.00 0.00 175.29 174.14 2aca n PRO 69 N 0.92 1.42 0.12 2.91 -0.04 -1.26 0.02 135.00 139.09 2aca n PRO 69 Ca -0.18 -0.58 0.08 0.00 -0.04 0.00 0.00 63.50 62.78 2aca n PRO 69 Cb 0.54 -1.18 0.56 0.00 -0.04 0.00 0.00 33.50 33.37 2aca n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aca h ALA 70 N 3.19 1.94 -0.03 0.55 0.00 -1.95 -3.46 119.26 119.50 2aca h ALA 70 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2aca h ALA 70 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2aca h ALA 70 CO 0.01 0.02 -0.01 0.41 0.00 0.00 0.00 179.25 179.69 2aca n GLY 71 N -1.52 0.36 3.71 0.00 0.00 0.82 -5.02 105.19 103.54 2aca n GLY 71 Ca 0.01 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 2aca n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aca s ILE 72 N -2.01 5.16 -0.06 -0.61 1.01 -0.80 -4.92 121.20 118.97 2aca s ILE 72 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 60.65 61.67 2aca s ILE 72 Cb 0.00 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2aca s ILE 72 CO 0.00 0.29 -0.05 -0.54 0.00 0.00 0.00 174.94 174.64 2aca s LYS 73 N 0.82 0.95 0.11 2.79 1.02 -1.26 0.08 119.74 124.26 2aca s LYS 73 Ca 0.27 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.20 2aca s LYS 73 Cb -0.15 -1.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 2aca s LYS 73 CO 0.11 -0.14 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.76 2aca s LEU 74 N 1.20 2.39 -0.20 3.17 1.43 0.13 -1.46 118.68 125.34 2aca s LEU 74 Ca -0.06 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2aca s LEU 74 Cb -0.14 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.59 2aca s LEU 74 CO -0.02 -0.16 -0.11 0.86 0.23 0.00 0.00 176.35 177.15 2aca s TRP 75 N -2.14 2.88 0.02 0.29 -0.00 -0.77 -0.77 118.94 118.45 2aca s TRP 75 Ca 0.07 -1.21 0.06 0.00 -0.00 0.00 0.00 56.10 55.02 2aca s TRP 75 Cb -0.05 -2.03 -0.02 0.00 -0.00 0.00 0.00 33.47 31.38 2aca s TRP 75 CO 0.02 -0.64 -0.17 0.42 -0.00 0.00 0.00 176.95 176.58 2aca s ILE 76 N 1.38 1.32 -0.07 5.86 -1.09 0.14 -2.33 121.20 126.41 2aca s ILE 76 Ca 0.05 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.55 2aca s ILE 76 Cb -0.14 -1.14 0.03 0.00 -1.58 0.00 0.00 42.46 39.63 2aca s ILE 76 CO -0.07 0.21 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.15 2aca s VAL 77 N -0.63 0.41 0.05 2.92 1.01 -0.29 0.32 120.40 124.20 2aca s VAL 77 Ca 0.05 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2aca s VAL 77 Cb -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2aca s VAL 77 CO 0.01 0.26 -0.05 -0.54 0.00 0.00 0.00 175.10 174.78 2aca s LYS 78 N 1.83 2.48 0.15 2.72 1.02 -0.27 -1.05 119.74 126.62 2aca s LYS 78 Ca 0.03 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2aca s LYS 78 Cb -0.12 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 2aca s LYS 78 CO -0.05 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 2aca n GLY 79 N 1.02 -2.77 0.15 -3.33 0.00 0.26 -1.60 105.19 98.92 2aca n GLY 79 Ca -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 2aca n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aca h PRO 80 N 0.00 0.15 -6.73 1.61 0.13 -1.84 -3.45 132.00 121.87 2aca h PRO 80 Ca 0.00 -0.11 -0.55 0.00 -0.87 0.00 0.00 66.00 64.47 2aca h PRO 80 Cb 0.00 0.02 0.09 0.00 0.13 0.00 0.00 31.00 31.24 2aca h PRO 80 CO 0.00 0.74 0.78 0.39 -0.23 0.00 0.00 178.00 179.68 2aca n GLU 81 N -3.82 2.47 -0.33 0.86 4.71 -1.26 -4.85 120.64 118.42 2aca n GLU 81 Ca -0.02 0.88 0.27 0.00 -0.01 0.00 0.00 57.16 58.27 2aca n GLU 81 Cb 0.64 -2.61 0.51 0.00 -1.01 0.00 0.00 31.44 28.97 2aca n GLU 81 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2aca h ALA 82 N 4.50 1.98 -0.41 0.62 0.00 -1.96 -0.46 119.26 123.54 2aca h ALA 82 Ca -0.46 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2aca h ALA 82 Cb 1.24 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2aca h ALA 82 CO 0.77 -0.75 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 2aca n ASP 83 N -5.18 4.35 -4.69 0.00 5.75 -1.26 -4.89 116.55 110.63 2aca n ASP 83 Ca 0.34 -2.78 -0.38 0.00 -0.01 0.00 0.00 54.79 51.96 2aca n ASP 83 Cb 1.10 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 40.57 2aca n ASP 83 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2aca s ARG 84 N -2.43 4.20 -0.15 0.11 3.52 -0.18 -1.08 118.95 122.95 2aca s ARG 84 Ca 0.44 0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 56.15 2aca s ARG 84 Cb 0.33 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 30.29 2aca s ARG 84 CO 0.14 0.06 0.31 0.00 -0.81 0.00 0.00 175.30 175.00 2aca s GLU 86 N 2.18 1.43 0.27 0.00 2.02 -0.21 -4.03 118.70 120.35 2aca s GLU 86 Ca -0.02 -1.24 -0.19 0.00 0.02 0.00 0.00 54.97 53.54 2aca s GLU 86 Cb -0.11 -1.80 0.02 0.00 0.10 0.00 0.00 34.13 32.33 2aca s GLU 86 CO -0.10 0.44 0.66 0.00 0.02 0.00 0.00 175.26 176.28 2aca s ALA 87 N -1.01 -1.02 -0.20 5.21 0.00 -1.26 -1.13 121.76 122.35 2aca s ALA 87 Ca 0.12 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2aca s ALA 87 Cb -0.10 0.90 0.07 0.00 0.00 0.00 0.00 23.12 23.99 2aca s ALA 87 CO 0.05 -0.99 0.73 -0.08 0.00 0.00 0.00 175.76 175.46 2aca s THR 88 N -3.94 0.00 0.48 0.00 -1.32 -0.99 -5.00 115.64 104.88 2aca s THR 88 Ca 0.13 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.40 2aca s THR 88 Cb -0.05 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.86 2aca s THR 88 CO 0.07 0.00 1.06 0.20 -2.21 0.00 0.00 174.62 173.74 2aca s ASN 89 N -0.12 6.28 0.06 8.08 0.01 -1.26 -1.85 114.94 126.13 2aca s ASN 89 Ca -0.03 2.01 0.04 0.00 -0.71 0.00 0.00 52.86 54.17 2aca s ASN 89 Cb -0.03 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 2aca s ASN 89 CO 0.03 -0.83 -0.13 0.27 -1.51 0.00 0.00 177.10 174.94 2aca s ILE 90 N -1.87 0.98 -0.11 0.60 -4.36 -0.54 -4.89 121.20 111.02 2aca s ILE 90 Ca 0.67 -1.23 0.16 0.00 -0.26 0.00 0.00 60.65 59.99 2aca s ILE 90 Cb -0.19 -0.96 -0.20 0.00 1.25 0.00 0.00 42.46 42.35 2aca s ILE 90 CO 0.23 -0.24 0.58 0.35 0.24 0.00 0.00 174.94 176.10 2aca n THR 91 N 1.37 1.24 -3.99 8.37 -2.24 -1.26 -4.46 114.28 113.31 2aca n THR 91 Ca -0.21 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.52 2aca n THR 91 Cb 0.54 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.93 2aca n THR 91 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2aca s LYS 92 N -2.79 1.52 0.14 -0.78 1.02 -1.26 -4.98 119.74 112.62 2aca s LYS 92 Ca -0.05 -1.96 -0.15 0.00 0.02 0.00 0.00 55.97 53.82 2aca s LYS 92 Cb 0.08 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2aca s LYS 92 CO 0.83 -0.97 1.72 1.25 -0.92 0.00 0.00 175.35 177.26 2aca h LEU 93 N 7.44 0.57 -0.87 3.17 5.85 -1.99 -1.73 115.31 127.75 2aca h LEU 93 Ca -0.05 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2aca h LEU 93 Cb 1.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2aca h LEU 93 CO 0.54 0.54 0.36 -2.24 -0.34 0.00 0.00 178.44 177.30 2aca h ASP 94 N 0.56 1.08 -0.39 1.25 3.04 -1.99 -0.07 116.42 119.89 2aca h ASP 94 Ca 0.15 -0.15 -0.03 0.00 -3.24 0.00 0.00 57.03 53.77 2aca h ASP 94 Cb 0.12 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.12 2aca h ASP 94 CO -0.02 0.93 0.14 0.28 -2.04 0.00 0.00 179.24 178.53 2aca h SER 95 N 1.16 0.55 -0.53 4.15 0.02 -1.93 -0.86 113.55 116.11 2aca h SER 95 Ca 0.27 -0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2aca h SER 95 Cb 0.16 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2aca h SER 95 CO -0.03 0.59 0.26 0.00 -1.14 0.00 0.00 176.83 176.51 2aca h ALA 96 N 0.98 0.67 -0.16 3.77 0.00 -0.83 -2.52 119.26 121.18 2aca h ALA 96 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2aca h ALA 96 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2aca h ALA 96 CO -0.01 -0.09 0.11 1.96 0.00 0.00 0.00 179.25 181.22 2aca h GLN 97 N 0.50 0.21 -1.12 0.00 4.20 -0.71 -1.65 115.11 116.55 2aca h GLN 97 Ca 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2aca h GLN 97 Cb 0.16 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2aca h GLN 97 CO -0.17 0.15 0.00 0.45 -0.67 0.00 0.00 178.83 178.59 2aca n SER 98 N -4.97 0.18 0.00 1.46 2.88 -0.35 -2.10 113.62 110.71 2aca n SER 98 Ca -0.04 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 2aca n SER 98 Cb 0.03 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2aca n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2aca n LEU 100 N 0.74 0.00 -0.11 2.46 4.77 -0.62 -1.48 117.00 122.76 2aca n LEU 100 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2aca n LEU 100 Cb 0.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2aca n LEU 100 CO 0.00 0.00 0.55 -0.33 -1.33 0.00 0.00 177.39 176.28 2aca h GLU 101 N 0.00 0.92 -2.20 3.23 5.08 -1.53 0.54 114.58 120.63 2aca h GLU 101 Ca 0.00 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 2aca h GLU 101 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2aca h GLU 101 CO 0.00 1.14 0.08 -1.71 -1.00 0.00 0.00 179.01 177.52 2aca n ASN 102 N -4.05 1.06 0.00 1.42 4.05 -0.55 -3.64 115.26 113.55 2aca n ASN 102 Ca -0.02 -1.38 0.00 0.00 0.45 0.00 0.00 54.58 53.63 2aca n ASN 102 Cb 0.55 -0.24 0.00 0.00 1.23 0.00 0.00 39.78 41.32 2aca n ASN 102 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2aca n GLY 104 N 2.15 0.40 3.91 8.20 0.00 -1.09 -5.21 105.19 113.55 2aca n GLY 104 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2aca n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aca s TYR 105 N -0.43 3.48 0.03 1.61 2.02 0.16 -4.46 117.35 119.76 2aca s TYR 105 Ca 0.00 0.51 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 2aca s TYR 105 Cb 0.00 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2aca s TYR 105 CO 0.00 0.29 -0.06 -1.83 -1.57 0.00 0.00 175.55 172.38 2aca s GLU 106 N -3.33 0.45 -0.10 -0.62 -1.05 0.03 -3.83 118.70 110.26 2aca s GLU 106 Ca 0.41 -0.60 -0.29 0.00 -0.15 0.00 0.00 54.97 54.34 2aca s GLU 106 Cb -0.11 -0.24 -0.06 0.00 -0.44 0.00 0.00 34.13 33.29 2aca s GLU 106 CO 0.29 0.04 1.79 0.08 0.95 0.00 0.00 175.26 178.41 2aca s VAL 107 N -1.11 3.40 -2.72 1.83 1.01 -1.26 -2.06 120.40 119.50 2aca s VAL 107 Ca -0.08 0.47 0.22 0.00 0.00 0.00 0.00 61.98 62.59 2aca s VAL 107 Cb -0.08 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 33.11 2aca s VAL 107 CO 0.00 -0.10 1.19 2.30 0.00 0.00 0.00 175.10 178.49 2aca n ILE 108 N 6.03 0.00 0.00 2.22 -5.35 0.42 -4.97 119.36 117.71 2aca n ILE 108 Ca 0.20 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2aca n ILE 108 Cb 0.43 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 2aca n ILE 108 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 2aca n GLN 109 N 1.17 0.00 -4.15 6.28 7.27 -1.20 -4.99 117.38 121.77 2aca n GLN 109 Ca 0.13 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.05 2aca n GLN 109 Cb 0.55 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 33.09 2aca n GLN 109 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2aca s SER 111 N -2.20 -0.48 0.07 0.00 1.04 0.51 -4.96 113.70 107.68 2aca s SER 111 Ca 0.01 0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.52 2aca s SER 111 Cb -0.05 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2aca s SER 111 CO 0.00 -0.86 -0.12 -0.54 0.98 0.00 0.00 173.24 172.69 2aca s LYS 112 N -3.27 0.78 -0.03 4.02 1.02 -1.26 -0.34 119.74 120.66 2aca s LYS 112 Ca -0.01 -0.96 -0.29 0.00 0.02 0.00 0.00 55.97 54.73 2aca s LYS 112 Cb -0.00 -0.68 0.11 0.00 -0.52 0.00 0.00 37.83 36.73 2aca s LYS 112 CO -0.08 0.14 0.90 -1.59 -0.92 0.00 0.00 175.35 173.79 2aca s LYS 113 N -1.92 0.79 -0.19 1.68 -2.85 -0.41 -4.92 119.74 111.92 2aca s LYS 113 Ca -0.02 -0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 54.64 2aca s LYS 113 Cb -0.09 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2aca s LYS 113 CO 0.02 -0.33 0.20 0.42 0.10 0.00 0.00 175.35 175.76 2aca s ILE 114 N -2.66 5.36 0.09 3.79 -1.09 -1.21 0.77 121.20 126.25 2aca s ILE 114 Ca 0.03 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.81 2aca s ILE 114 Cb -0.01 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2aca s ILE 114 CO -0.06 0.40 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.35 2aca s ARG 115 N 0.52 0.81 -0.01 2.79 3.52 0.50 -1.75 118.95 125.32 2aca s ARG 115 Ca 0.11 -1.08 0.01 0.00 -0.13 0.00 0.00 55.73 54.64 2aca s ARG 115 Cb -0.12 -0.55 0.01 0.00 -1.56 0.00 0.00 34.95 32.73 2aca s ARG 115 CO 0.01 0.09 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.46 2aca s SER 116 N -2.24 0.31 -0.06 -2.12 0.01 -0.36 -1.48 113.70 107.76 2aca s SER 116 Ca 0.03 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.28 2aca s SER 116 Cb -0.05 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.10 2aca s SER 116 CO 0.00 -0.02 -0.12 -0.63 0.41 0.00 0.00 173.24 172.88 2aca s ILE 117 N 0.35 1.14 0.21 1.44 1.01 -0.57 -0.41 121.20 124.37 2aca s ILE 117 Ca -0.03 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2aca s ILE 117 Cb -0.06 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 2aca s ILE 117 CO -0.01 0.35 -0.16 -0.36 0.00 0.00 0.00 174.94 174.76 2aca s PHE 118 N 0.61 1.85 -0.04 3.97 0.40 0.64 -3.17 117.98 122.24 2aca s PHE 118 Ca -0.14 -0.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 2aca s PHE 118 Cb -0.15 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 2aca s PHE 118 CO 0.04 0.43 -0.16 -0.06 0.70 0.00 0.00 175.22 176.17 2aca s PHE 119 N -2.71 2.64 -0.36 0.36 2.99 0.19 -0.76 117.98 120.35 2aca s PHE 119 Ca 0.23 -0.20 0.02 0.00 0.00 0.00 0.00 56.93 56.98 2aca s PHE 119 Cb -0.03 -1.60 0.15 0.00 0.00 0.00 0.00 43.02 41.55 2aca s PHE 119 CO 0.08 0.17 0.32 0.08 -0.00 0.00 0.00 175.22 175.87 2aca s VAL 120 N -0.74 -0.19 0.00 -0.44 1.01 -0.74 -0.94 120.40 118.37 2aca s VAL 120 Ca 0.12 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2aca s VAL 120 Cb -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2aca s VAL 120 CO 0.01 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2aca n GLY 121 N 4.22 0.81 0.76 4.51 0.00 -1.26 -2.57 105.19 111.65 2aca n GLY 121 Ca 0.11 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.59 2aca n GLY 121 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2aca n GLU 122 N 12.01 1.63 -3.35 1.61 0.28 -1.26 -4.96 120.64 126.60 2aca n GLU 122 Ca 0.00 -1.63 -0.36 0.00 -0.16 0.00 0.00 57.16 55.01 2aca n GLU 122 Cb 0.00 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.45 2aca n GLU 122 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2aca s PHE 123 N -1.57 3.65 -0.07 -1.84 0.08 -1.06 -4.75 117.98 112.41 2aca s PHE 123 Ca 0.22 1.10 -0.02 0.00 0.12 0.00 0.00 56.93 58.35 2aca s PHE 123 Cb 0.16 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2aca s PHE 123 CO 0.24 0.47 0.04 -1.01 -0.10 0.00 0.00 175.22 174.86 2aca s HIS 124 N -1.38 3.26 -0.17 0.36 3.76 0.52 -1.79 115.29 119.85 2aca s HIS 124 Ca 0.35 0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.52 2aca s HIS 124 Cb -0.16 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.75 2aca s HIS 124 CO 0.19 0.53 -0.18 0.42 -0.85 0.00 0.00 174.74 174.85 2aca s ILE 125 N -0.98 1.90 -0.14 0.60 1.01 0.06 -1.89 121.20 121.77 2aca s ILE 125 Ca 0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 2aca s ILE 125 Cb -0.12 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2aca s ILE 125 CO 0.05 0.50 -0.09 -0.89 0.00 0.00 0.00 174.94 174.51 2aca s THR 126 N 1.35 3.41 -0.20 2.92 2.01 0.90 -0.26 115.64 125.76 2aca s THR 126 Ca 0.05 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.52 2aca s THR 126 Cb -0.13 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.94 2aca s THR 126 CO -0.12 0.51 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.95 2aca s LEU 127 N 0.35 2.54 0.21 4.42 2.96 0.45 -0.42 118.68 129.19 2aca s LEU 127 Ca -0.08 -0.77 0.10 0.00 -0.22 0.00 0.00 54.13 53.16 2aca s LEU 127 Cb -0.15 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2aca s LEU 127 CO 0.05 -0.05 -0.16 -1.81 -1.32 0.00 0.00 176.35 173.05 2aca s ASP 128 N 1.28 3.84 -0.22 3.68 -0.00 0.40 -1.22 116.67 124.43 2aca s ASP 128 Ca 0.02 -0.77 -0.03 0.00 -0.00 0.00 0.00 52.55 51.78 2aca s ASP 128 Cb -0.15 -0.48 0.07 0.00 -0.00 0.00 0.00 42.92 42.37 2aca s ASP 128 CO -0.10 0.09 0.06 0.12 -0.00 0.00 0.00 175.17 175.35 2aca s PHE 129 N -1.84 0.87 -0.35 4.23 5.36 -0.72 -0.93 117.98 124.59 2aca s PHE 129 Ca 0.24 -0.87 -0.16 0.00 -0.96 0.00 0.00 56.93 55.19 2aca s PHE 129 Cb -0.08 -1.03 -0.01 0.00 -0.34 0.00 0.00 43.02 41.56 2aca s PHE 129 CO 0.13 -0.65 0.41 -0.51 -1.46 0.00 0.00 175.22 173.14 2aca s LEU 130 N 1.91 4.47 -0.14 6.12 1.02 -0.45 -3.29 118.68 128.32 2aca s LEU 130 Ca 0.02 -0.23 -0.35 0.00 0.02 0.00 0.00 54.13 53.58 2aca s LEU 130 Cb -0.17 -2.41 -0.12 0.00 0.02 0.00 0.00 46.19 43.51 2aca s LEU 130 CO -0.14 -0.40 1.87 -0.67 0.02 0.00 0.00 176.35 177.03 2aca n ASP 131 N 5.50 3.20 0.00 2.29 -0.08 -1.26 -1.32 116.55 124.88 2aca n ASP 131 Ca -0.08 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 2aca n ASP 131 Cb 0.49 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.63 2aca n ASP 131 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2aca n GLY 132 N 4.46 2.45 0.02 0.27 0.00 -1.26 -4.84 105.19 106.29 2aca n GLY 132 Ca 0.24 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 46.09 2aca n GLY 132 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2aca n PHE 133 N 0.00 0.00 0.00 1.61 3.72 -0.43 -5.13 117.46 117.23 2aca n PHE 133 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2aca n PHE 133 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2aca n PHE 133 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aca n GLY 134 N 1.10 -1.38 3.84 1.37 0.00 -0.81 -4.94 105.19 104.37 2aca n GLY 134 Ca 0.01 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 2aca n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aca s HIS 135 N 0.00 3.72 0.14 1.61 3.76 -1.26 -1.34 115.29 121.92 2aca s HIS 135 Ca 0.00 0.95 0.06 0.00 -0.15 0.00 0.00 55.06 55.92 2aca s HIS 135 Cb 0.00 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2aca s HIS 135 CO 0.00 0.65 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.34 2aca s PHE 136 N -1.06 1.45 0.00 1.40 0.08 -0.11 -0.39 117.98 119.35 2aca s PHE 136 Ca 0.23 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2aca s PHE 136 Cb -0.16 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 2aca s PHE 136 CO 0.13 0.17 -0.05 0.00 -0.10 0.00 0.00 175.22 175.36 2aca s ALA 137 N -2.38 0.45 -0.03 5.36 0.00 0.19 -0.46 121.76 124.88 2aca s ALA 137 Ca 0.12 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.84 2aca s ALA 137 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2aca s ALA 137 CO 0.03 0.09 -0.17 -1.21 0.00 0.00 0.00 175.76 174.51 2aca s GLU 138 N -0.29 1.63 -0.09 0.00 2.02 0.44 0.91 118.70 123.32 2aca s GLU 138 Ca 0.01 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.43 2aca s GLU 138 Cb -0.03 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.74 2aca s GLU 138 CO -0.00 0.28 -0.22 -0.06 0.02 0.00 0.00 175.26 175.28 2aca s PHE 139 N -0.10 2.35 0.28 1.61 0.40 -0.53 -0.07 117.98 121.92 2aca s PHE 139 Ca -0.00 -0.94 -0.20 0.00 -0.60 0.00 0.00 56.93 55.19 2aca s PHE 139 Cb -0.10 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.87 2aca s PHE 139 CO 0.01 -0.38 0.71 0.00 0.70 0.00 0.00 175.22 176.25 2aca s ALA 140 N 0.37 -1.12 0.00 5.36 0.00 -0.79 -1.04 121.76 124.54 2aca s ALA 140 Ca -0.17 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2aca s ALA 140 Cb -0.17 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2aca s ALA 140 CO 0.08 -1.02 0.00 1.51 0.00 0.00 0.00 175.76 176.32 2aca n ILE 141 N -0.46 0.00 0.00 0.00 0.13 -0.99 -0.36 119.36 117.69 2aca n ILE 141 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 2aca n ILE 141 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.39 2aca n ILE 141 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2aca n THR 143 N 0.00 0.00 -0.08 9.51 5.66 0.11 -2.49 114.28 126.99 2aca n THR 143 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 2aca n THR 143 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 2aca n THR 143 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2aca n ASP 144 N 0.00 0.83 -4.65 1.09 9.92 -1.26 -2.28 116.55 120.20 2aca n ASP 144 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 2aca n ASP 144 Cb 0.00 0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 41.41 2aca n ASP 144 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2aca s ASP 145 N -5.04 6.96 0.00 -2.24 2.15 -1.26 -4.90 116.67 112.34 2aca s ASP 145 Ca -0.08 1.34 0.26 0.00 0.43 0.00 0.00 52.55 54.50 2aca s ASP 145 Cb 0.05 -2.54 0.81 0.00 -0.30 0.00 0.00 42.92 40.94 2aca s ASP 145 CO 0.69 -0.80 1.60 -0.62 -0.17 0.00 0.00 175.17 175.88 2aca n GLU 146 N 6.67 1.84 0.10 4.34 1.02 -1.26 -3.91 120.64 129.44 2aca n GLU 146 Ca 0.13 -1.23 -0.18 0.00 -0.02 0.00 0.00 57.16 55.86 2aca n GLU 146 Cb 0.46 -1.46 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 2aca n GLU 146 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2aca h THR 147 N 2.86 1.40 -0.38 2.62 1.35 -2.02 -3.25 112.91 115.49 2aca h THR 147 Ca 0.00 -2.74 -0.24 0.00 -0.55 0.00 0.00 66.41 62.89 2aca h THR 147 Cb 0.61 2.77 -0.11 0.00 -1.73 0.00 0.00 68.15 69.69 2aca h THR 147 CO 0.00 0.81 0.30 0.00 -0.25 0.00 0.00 175.52 176.38 2aca n ALA 148 N -2.59 4.40 1.15 6.62 0.00 -1.25 -4.27 120.51 124.57 2aca n ALA 148 Ca -0.10 -1.24 0.12 0.00 0.00 0.00 0.00 53.44 52.22 2aca n ALA 148 Cb 0.98 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 19.40 2aca n ALA 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2aca n LEU 149 N 0.28 2.36 -0.01 0.00 7.94 -1.23 -2.86 117.00 123.48 2aca n LEU 149 Ca 0.24 -0.79 0.04 0.00 -1.11 0.00 0.00 56.01 54.38 2aca n LEU 149 Cb 0.72 -0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.59 2aca n LEU 149 CO 0.28 0.40 -0.65 0.00 -1.11 0.00 0.00 177.39 176.31 2aca n ALA 150 N 0.74 2.29 0.02 1.96 0.00 -1.26 -4.06 120.51 120.20 2aca n ALA 150 Ca 0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 2aca n ALA 150 Cb 0.50 -0.30 -0.12 0.00 0.00 0.00 0.00 19.45 19.53 2aca n ALA 150 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2aca h ARG 151 N 0.00 0.00 -0.21 0.00 0.11 -1.85 -3.17 114.38 109.26 2aca h ARG 151 Ca -0.04 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.91 2aca h ARG 151 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2aca h ARG 151 CO 0.00 0.65 -0.38 1.88 0.10 0.00 0.00 179.97 182.22 2aca h TYR 152 N 0.00 0.79 -0.32 4.08 0.05 -1.75 -2.26 116.97 117.55 2aca h TYR 152 Ca -0.17 -0.28 0.09 0.00 0.05 0.00 0.00 58.73 58.42 2aca h TYR 152 Cb 1.88 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 39.46 2aca h TYR 152 CO 0.00 1.03 0.44 -0.09 -1.05 0.00 0.00 178.16 178.49 2aca h ARG 153 N 0.32 0.00 0.01 4.88 9.65 -1.70 0.26 114.38 127.80 2aca h ARG 153 Ca 0.01 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.72 2aca h ARG 153 Cb 0.98 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.53 2aca h ARG 153 CO 0.09 0.00 -0.92 0.93 2.80 0.00 0.00 179.97 182.86 2aca h GLU 154 N 0.00 0.02 0.00 0.20 5.08 -1.43 -2.85 114.58 115.60 2aca h GLU 154 Ca 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2aca h GLU 154 Cb 1.02 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2aca h GLU 154 CO -0.00 1.02 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.86 2aca h ARG 155 N -0.93 0.00 -0.28 2.33 2.43 -0.76 0.54 114.38 117.71 2aca h ARG 155 Ca -0.25 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 2aca h ARG 155 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2aca h ARG 155 CO -0.12 0.08 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.30 2aca h LEU 156 N 0.00 0.53 -0.52 3.80 3.38 -0.61 0.34 115.31 122.23 2aca h LEU 156 Ca -0.00 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2aca h LEU 156 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2aca h LEU 156 CO 0.01 0.76 0.11 0.58 0.09 0.00 0.00 178.44 179.99 2aca h VAL 157 N 0.29 1.25 0.06 1.22 2.07 -0.66 0.13 116.25 120.62 2aca h VAL 157 Ca 0.07 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2aca h VAL 157 Cb 0.52 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2aca h VAL 157 CO 0.02 0.32 -0.21 0.00 0.02 0.00 0.00 177.57 177.73 2aca h ALA 158 N 0.99 -0.31 -0.54 1.67 0.00 0.22 0.18 119.26 121.48 2aca h ALA 158 Ca 0.16 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2aca h ALA 158 Cb 0.36 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2aca h ALA 158 CO 0.01 -0.72 0.26 1.25 0.00 0.00 0.00 179.25 180.04 2aca h LEU 159 N -0.37 0.36 -0.95 0.00 5.85 -0.09 -1.15 115.31 118.96 2aca h LEU 159 Ca 0.04 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2aca h LEU 159 Cb 0.41 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2aca h LEU 159 CO -0.15 0.24 0.59 0.00 -0.34 0.00 0.00 178.44 178.79 2aca h ALA 160 N 1.31 1.35 0.00 1.25 0.00 0.12 -0.17 119.26 123.11 2aca h ALA 160 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2aca h ALA 160 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2aca h ALA 160 CO -0.19 0.29 -0.01 1.96 0.00 0.00 0.00 179.25 181.30 2aca h GLN 161 N 1.02 0.00 -0.01 0.00 4.20 0.61 -1.24 115.11 119.68 2aca h GLN 161 Ca 0.44 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.11 2aca h GLN 161 Cb 0.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2aca h GLN 161 CO -0.21 0.01 -0.17 1.96 -0.67 0.00 0.00 178.83 179.74 2aca h GLN 162 N 0.00 0.02 -0.25 1.46 4.20 -0.69 -1.13 115.11 118.71 2aca h GLN 162 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2aca h GLN 162 Cb 0.02 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2aca h GLN 162 CO 0.00 0.20 0.00 1.19 -0.67 0.00 0.00 178.83 179.55 2aca n PHE 163 N -4.32 0.33 -3.01 2.96 3.01 -0.47 -4.92 117.46 111.04 2aca n PHE 163 Ca -0.02 -0.17 -0.12 0.00 1.01 0.00 0.00 57.45 58.15 2aca n PHE 163 Cb 0.24 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.77 2aca n PHE 163 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 2aca n HIS 164 N 0.43 -1.55 -4.05 1.38 8.25 -0.43 -4.95 115.22 114.29 2aca n HIS 164 Ca 0.14 0.64 -0.33 0.00 -0.26 0.00 0.00 57.72 57.91 2aca n HIS 164 Cb 0.32 -4.02 -0.15 0.00 1.12 0.00 0.00 29.99 27.26 2aca n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aca s LEU 165 N -4.98 2.54 0.41 2.41 1.02 -1.19 -5.05 118.68 113.85 2aca s LEU 165 Ca 0.07 -0.70 0.03 0.00 0.02 0.00 0.00 54.13 53.55 2aca s LEU 165 Cb -0.03 -1.56 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 2aca s LEU 165 CO 0.49 -0.04 0.60 -0.94 0.02 0.00 0.00 176.35 176.48 2aca s SER 166 N 1.31 5.84 0.58 2.29 1.04 -1.26 -4.28 113.70 119.22 2aca s SER 166 Ca 0.03 0.06 0.29 0.00 0.48 0.00 0.00 55.95 56.81 2aca s SER 166 Cb -0.14 -1.34 1.50 0.00 0.10 0.00 0.00 66.02 66.13 2aca s SER 166 CO -0.09 -0.64 1.93 -0.08 0.98 0.00 0.00 173.24 175.35 2aca h GLU 167 N 0.57 0.00 0.00 4.02 4.57 -2.00 1.10 114.58 122.85 2aca h GLU 167 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2aca h GLU 167 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2aca h GLU 167 CO 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.38 2aca h ALA 168 N 1.53 1.00 0.00 2.92 0.00 -2.03 -1.74 119.26 120.94 2aca h ALA 168 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2aca h ALA 168 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2aca h ALA 168 CO -0.00 0.00 -0.94 -0.44 0.00 0.00 0.00 179.25 177.87 2aca h ASP 169 N 0.00 0.00 -1.98 0.00 3.32 0.91 -3.48 116.42 115.19 2aca h ASP 169 Ca 0.00 -0.04 -0.65 0.00 0.02 0.00 0.00 57.03 56.36 2aca h ASP 169 Cb 0.35 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.98 2aca h ASP 169 CO 0.00 0.02 0.31 0.54 -1.72 0.00 0.00 179.24 178.39 2aca n ARG 170 N -2.59 1.24 -3.96 3.56 5.12 -0.66 -1.79 116.66 117.58 2aca n ARG 170 Ca 0.01 0.44 -0.34 0.00 -1.93 0.00 0.00 57.85 56.02 2aca n ARG 170 Cb 0.53 -1.96 -0.14 0.00 -1.16 0.00 0.00 32.46 29.72 2aca n ARG 170 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2aca s GLU 171 N -0.31 2.81 0.15 5.56 2.56 0.64 -4.81 118.70 125.30 2aca s GLU 171 Ca 0.74 -1.00 0.21 0.00 0.00 0.00 0.00 54.97 54.92 2aca s GLU 171 Cb -0.84 -2.99 -0.05 0.00 2.00 0.00 0.00 34.13 32.24 2aca s GLU 171 CO 0.51 -0.41 0.95 0.72 -0.56 0.00 0.00 175.26 176.47 2aca n HIS 172 N 4.66 0.90 -2.47 5.30 8.25 -1.26 -4.36 115.22 126.25 2aca n HIS 172 Ca -0.16 0.27 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2aca n HIS 172 Cb 0.47 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 2aca n HIS 172 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2aca s ARG 173 N -3.27 4.36 0.63 -0.41 0.52 -1.26 -5.01 118.95 114.50 2aca s ARG 173 Ca -0.02 1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.78 2aca s ARG 173 Cb 0.10 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 32.03 2aca s ARG 173 CO 0.80 -0.42 0.96 -1.12 0.02 0.00 0.00 175.30 175.54 2aca s SER 174 N 1.43 5.56 0.00 0.23 0.01 -1.26 -4.83 113.70 114.84 2aca s SER 174 Ca 0.56 0.86 -0.00 0.00 1.31 0.00 0.00 55.95 58.67 2aca s SER 174 Cb -0.25 -1.79 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 2aca s SER 174 CO 0.22 -1.14 1.00 0.22 0.41 0.00 0.00 173.24 173.95 2aca h TYR 175 N -0.32 -0.00 -0.03 2.43 3.20 -1.95 0.70 116.97 120.98 2aca h TYR 175 Ca -0.45 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 2aca h TYR 175 Cb 1.25 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 2aca h TYR 175 CO 0.48 -0.00 -0.05 -0.22 -1.64 0.00 0.00 178.16 176.73 2aca h LYS 176 N -0.00 0.09 -0.00 1.82 3.64 -1.95 -2.71 116.57 117.46 2aca h LYS 176 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2aca h LYS 176 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2aca h LYS 176 CO -0.00 0.60 0.85 0.93 -2.27 0.00 0.00 179.45 179.56 2aca h GLU 177 N -0.40 0.00 -0.56 1.90 3.07 -1.87 -3.35 114.58 113.36 2aca h GLU 177 Ca 0.00 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.07 2aca h GLU 177 Cb 0.59 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.28 2aca h GLU 177 CO 0.01 0.00 0.14 0.42 -1.40 0.00 0.00 179.01 178.18 2aca s ILE 178 N -4.02 -0.43 0.00 3.13 1.01 0.24 -4.63 121.20 116.51 2aca s ILE 178 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2aca s ILE 178 Cb 0.02 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2aca s ILE 178 CO 0.06 0.00 0.00 -0.11 0.00 0.00 0.00 174.94 174.89 2aca n LEU 179 N 5.29 0.00 -0.03 2.97 7.94 -1.24 -4.61 117.00 127.32 2aca n LEU 179 Ca -0.07 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.83 2aca n LEU 179 Cb 0.53 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.40 2aca n LEU 179 CO -0.07 0.00 -0.75 -0.24 -1.11 0.00 0.00 177.39 175.22 2aca n SER 180 N 0.00 2.37 0.00 1.96 2.88 -1.26 -5.02 113.62 114.55 2aca n SER 180 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2aca n SER 180 Cb 0.00 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 2aca n SER 180 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81