#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aps s LYS 14 N 0.00 1.63 -0.23 5.31 2.20 -1.26 -4.63 119.74 122.75 2aps s LYS 14 Ca 0.00 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.52 2aps s LYS 14 Cb 0.00 0.49 0.09 0.00 -1.51 0.00 0.00 37.83 36.90 2aps s LYS 14 CO 0.00 -0.76 0.52 -0.51 -0.36 0.00 0.00 175.35 174.25 2aps s LEU 15 N -3.11 -0.72 -0.32 5.43 2.01 -1.09 -4.94 118.68 115.94 2aps s LEU 15 Ca 0.16 1.21 -0.05 0.00 0.01 0.00 0.00 54.13 55.46 2aps s LEU 15 Cb -0.04 1.77 0.04 0.00 0.01 0.00 0.00 46.19 47.97 2aps s LEU 15 CO 0.07 -0.22 0.07 -0.69 1.01 0.00 0.00 176.35 176.59 2aps s VAL 16 N 2.30 3.63 -0.25 -1.59 1.01 -1.26 -0.73 120.40 123.51 2aps s VAL 16 Ca -0.06 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 2aps s VAL 16 Cb -0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2aps s VAL 16 CO -0.16 -0.10 0.50 -0.69 0.00 0.00 0.00 175.10 174.65 2aps s VAL 17 N 1.39 5.08 -0.73 2.92 1.01 0.47 -4.92 120.40 125.62 2aps s VAL 17 Ca -0.01 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 2aps s VAL 17 Cb -0.19 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2aps s VAL 17 CO 0.02 0.11 1.62 -1.58 0.00 0.00 0.00 175.10 175.26 2aps s GLN 18 N 2.17 2.92 -0.05 2.72 2.00 -1.26 -2.03 119.66 126.13 2aps s GLN 18 Ca 0.21 0.02 -0.18 0.00 -2.00 0.00 0.00 55.36 53.41 2aps s GLN 18 Cb -0.16 -4.49 -0.05 0.00 0.80 0.00 0.00 33.01 29.12 2aps s GLN 18 CO 0.09 -2.54 0.51 0.08 -0.50 0.00 0.00 175.29 172.93 2aps s VAL 19 N 7.56 5.04 0.01 1.34 1.01 -0.88 -4.25 120.40 130.23 2aps s VAL 19 Ca 0.54 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.60 2aps s VAL 19 Cb -0.09 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2aps s VAL 19 CO 0.13 0.41 -0.10 -1.10 0.00 0.00 0.00 175.10 174.45 2aps s GLN 20 N -0.04 0.74 0.21 2.72 -0.21 0.23 -1.79 119.66 121.54 2aps s GLN 20 Ca 0.28 -0.44 -0.30 0.00 0.02 0.00 0.00 55.36 54.92 2aps s GLN 20 Cb -0.17 -0.71 -0.08 0.00 1.00 0.00 0.00 33.01 33.05 2aps s GLN 20 CO 0.14 0.19 1.14 -1.14 -2.12 0.00 0.00 175.29 173.50 2aps s GLN 21 N -0.51 4.56 0.31 2.91 0.74 -0.01 -1.07 119.66 126.60 2aps s GLN 21 Ca 0.02 1.82 -0.26 0.00 0.05 0.00 0.00 55.36 56.99 2aps s GLN 21 Cb -0.05 -3.23 -0.10 0.00 1.10 0.00 0.00 33.01 30.73 2aps s GLN 21 CO 0.00 0.05 0.93 -0.51 -0.55 0.00 0.00 175.29 175.20 2aps s LEU 22 N -0.68 4.36 -0.30 3.68 1.43 -0.80 -3.19 118.68 123.18 2aps s LEU 22 Ca 0.49 1.81 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 2aps s LEU 22 Cb -0.32 -3.96 0.19 0.00 0.03 0.00 0.00 46.19 42.13 2aps s LEU 22 CO 0.38 -0.05 1.01 -0.62 0.23 0.00 0.00 176.35 177.30 2aps s ASP 23 N -1.59 -0.52 0.03 2.29 2.15 -1.26 -4.93 116.67 112.83 2aps s ASP 23 Ca 0.49 0.07 -0.23 0.00 0.43 0.00 0.00 52.55 53.31 2aps s ASP 23 Cb -0.19 1.33 -0.16 0.00 -0.30 0.00 0.00 42.92 43.61 2aps s ASP 23 CO 0.24 -0.10 1.45 -0.65 -0.17 0.00 0.00 175.17 175.94 2aps h PRO 24 N 7.35 0.12 0.73 4.34 0.11 -1.94 -2.60 132.00 140.11 2aps h PRO 24 Ca -0.09 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 2aps h PRO 24 Cb 1.18 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.28 2aps h PRO 24 CO -0.08 0.40 -0.35 -0.39 -0.21 0.00 0.00 178.00 177.38 2aps h VAL 25 N -0.18 0.26 0.00 3.15 -1.51 -1.98 -3.39 116.25 112.61 2aps h VAL 25 Ca 0.02 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 65.29 2aps h VAL 25 Cb 0.35 0.28 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 2aps h VAL 25 CO 0.00 0.01 -0.85 0.11 -1.23 0.00 0.00 177.57 175.61 2aps h LYS 26 N -1.02 0.00 0.00 5.19 1.57 -2.01 -3.51 116.57 116.79 2aps h LYS 26 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2aps h LYS 26 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2aps h LYS 26 CO 0.16 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.15 2aps n GLY 27 N 1.52 3.68 3.76 3.86 0.00 -0.98 -5.13 105.19 111.91 2aps n GLY 27 Ca -0.21 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 2aps n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2aps s ASN 28 N 0.00 7.50 0.02 1.61 -0.87 -1.24 -4.36 114.94 117.60 2aps s ASN 28 Ca 0.00 1.94 0.04 0.00 -1.57 0.00 0.00 52.86 53.27 2aps s ASN 28 Cb 0.00 -2.60 -0.02 0.00 -0.02 0.00 0.00 41.25 38.61 2aps s ASN 28 CO 0.00 0.05 -0.13 -1.59 -2.57 0.00 0.00 177.10 172.86 2aps s LYS 29 N -1.52 0.89 -0.17 -0.60 -2.85 -1.19 -4.98 119.74 109.31 2aps s LYS 29 Ca 0.45 -0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 54.50 2aps s LYS 29 Cb -0.24 -0.87 -0.02 0.00 -2.06 0.00 0.00 37.83 34.65 2aps s LYS 29 CO 0.30 0.22 1.32 -0.51 0.10 0.00 0.00 175.35 176.78 2aps s ASP 30 N -0.84 6.87 -0.00 0.03 1.01 -1.26 -0.83 116.67 121.65 2aps s ASP 30 Ca 0.02 1.69 0.21 0.00 0.71 0.00 0.00 52.55 55.18 2aps s ASP 30 Cb -0.07 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.17 2aps s ASP 30 CO 0.01 -0.83 0.95 1.33 0.21 0.00 0.00 175.17 176.84 2aps n VAL 31 N 5.51 0.00 -0.04 -1.27 0.24 -0.74 -4.90 118.33 117.13 2aps n VAL 31 Ca 0.14 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2aps n VAL 31 Cb 0.45 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 2aps n VAL 31 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aps n GLY 32 N 1.50 0.49 3.33 7.63 0.00 -1.18 -0.57 105.19 116.39 2aps n GLY 32 Ca 0.04 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 2aps n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aps s THR 33 N -3.95 0.00 -0.05 2.61 -4.23 -1.13 -2.07 115.64 106.82 2aps s THR 33 Ca 0.00 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2aps s THR 33 Cb 0.00 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.38 2aps s THR 33 CO 0.00 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 173.48 2aps s VAL 34 N -3.66 -0.13 -0.15 2.29 1.01 -0.86 -0.87 120.40 118.02 2aps s VAL 34 Ca 0.36 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2aps s VAL 34 Cb 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 2aps s VAL 34 CO 0.19 0.14 0.12 -1.61 0.00 0.00 0.00 175.10 173.95 2aps s GLU 35 N 1.89 3.75 -0.29 2.72 2.02 0.29 -0.39 118.70 128.69 2aps s GLU 35 Ca 0.00 -0.19 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 2aps s GLU 35 Cb -0.12 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.88 2aps s GLU 35 CO -0.04 0.55 0.01 0.42 0.02 0.00 0.00 175.26 176.22 2aps s ILE 36 N -0.38 3.28 0.42 -1.63 1.01 0.09 -1.25 121.20 122.73 2aps s ILE 36 Ca 0.11 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.76 2aps s ILE 36 Cb -0.12 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 2aps s ILE 36 CO 0.01 0.03 0.12 0.42 0.00 0.00 0.00 174.94 175.52 2aps s THR 37 N 1.35 2.16 -0.14 2.92 -4.23 -0.72 -2.66 115.64 114.33 2aps s THR 37 Ca -0.01 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2aps s THR 37 Cb -0.18 -2.97 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2aps s THR 37 CO -0.01 0.00 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.45 2aps s GLU 38 N -3.84 3.55 0.43 3.99 2.02 -1.26 -0.40 118.70 123.18 2aps s GLU 38 Ca 0.38 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.97 2aps s GLU 38 Cb 0.06 -2.94 -0.06 0.00 0.10 0.00 0.00 34.13 31.29 2aps s GLU 38 CO 0.21 0.37 0.01 -1.54 0.02 0.00 0.00 175.26 174.33 2aps s SER 39 N 0.03 3.81 0.00 -0.19 1.04 -0.69 -4.94 113.70 112.75 2aps s SER 39 Ca 0.02 -1.44 0.11 0.00 0.48 0.00 0.00 55.95 55.12 2aps s SER 39 Cb -0.13 -0.15 0.56 0.00 0.10 0.00 0.00 66.02 66.40 2aps s SER 39 CO 0.02 -0.56 1.22 0.00 0.98 0.00 0.00 173.24 174.90 2aps n ALA 40 N -1.01 1.69 -0.24 5.32 0.00 -1.26 -2.53 120.51 122.48 2aps n ALA 40 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2aps n ALA 40 Cb 0.67 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2aps n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2aps n TYR 41 N -1.25 0.00 0.00 0.00 4.01 -1.26 -5.12 117.16 113.53 2aps n TYR 41 Ca 0.05 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2aps n TYR 41 Cb 0.08 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 2aps n TYR 41 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2aps n GLY 42 N -0.38 1.63 3.73 2.72 0.00 -1.05 -4.15 105.19 107.69 2aps n GLY 42 Ca 0.00 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2aps n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aps s LEU 43 N 0.00 4.42 -0.19 0.99 1.43 -0.15 -1.70 118.68 123.48 2aps s LEU 43 Ca 0.00 2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 55.24 2aps s LEU 43 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2aps s LEU 43 CO 0.00 -0.43 0.05 -0.69 0.23 0.00 0.00 176.35 175.51 2aps s VAL 44 N 0.32 4.65 -0.45 -1.59 1.01 0.46 -1.48 120.40 123.32 2aps s VAL 44 Ca 0.56 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 2aps s VAL 44 Cb -0.33 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.05 2aps s VAL 44 CO 0.34 0.45 0.32 -0.36 0.00 0.00 0.00 175.10 175.85 2aps s PHE 45 N 0.51 3.35 -0.33 5.22 0.40 0.27 -1.75 117.98 125.64 2aps s PHE 45 Ca 0.03 -1.54 -0.08 0.00 -0.60 0.00 0.00 56.93 54.74 2aps s PHE 45 Cb -0.13 -3.21 0.02 0.00 0.51 0.00 0.00 43.02 40.21 2aps s PHE 45 CO 0.01 -0.90 0.13 0.99 0.70 0.00 0.00 175.22 176.16 2aps s THR 46 N 1.45 4.19 0.26 0.64 2.01 -0.38 -1.42 115.64 122.39 2aps s THR 46 Ca 0.04 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2aps s THR 46 Cb -0.25 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2aps s THR 46 CO 0.02 -0.07 0.40 -2.16 -0.69 0.00 0.00 174.62 172.12 2aps s PRO 47 N 1.51 3.46 -0.39 4.92 0.04 -1.26 -0.55 135.00 142.72 2aps s PRO 47 Ca 0.02 -0.61 0.09 0.00 0.04 0.00 0.00 61.00 60.54 2aps s PRO 47 Cb -0.18 -2.83 0.27 0.00 0.04 0.00 0.00 34.50 31.80 2aps s PRO 47 CO 0.04 0.36 0.58 1.58 0.04 0.00 0.00 177.00 179.60 2aps n HIS 48 N -1.38 -0.16 -3.76 0.56 -0.00 -0.05 -3.99 115.22 106.44 2aps n HIS 48 Ca -0.07 -3.63 -0.32 0.00 0.46 0.00 0.00 57.72 54.15 2aps n HIS 48 Cb 0.56 -0.37 -0.05 0.00 -0.12 0.00 0.00 29.99 30.02 2aps n HIS 48 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2aps s LEU 49 N -1.51 4.33 0.01 0.27 1.43 -0.71 -2.83 118.68 119.66 2aps s LEU 49 Ca 0.36 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 2aps s LEU 49 Cb 0.21 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2aps s LEU 49 CO -0.10 0.15 -0.02 -1.00 0.23 0.00 0.00 176.35 175.60 2aps s HIS 50 N -1.50 0.21 -0.26 0.29 3.76 0.26 -0.90 115.29 117.16 2aps s HIS 50 Ca 0.35 -0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.03 2aps s HIS 50 Cb -0.13 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.42 2aps s HIS 50 CO 0.23 -0.07 0.22 0.41 -0.85 0.00 0.00 174.74 174.68 2aps n GLY 51 N 2.45 0.38 3.43 -2.22 0.00 0.98 -4.71 105.19 105.50 2aps n GLY 51 Ca -0.17 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 2aps n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aps s LEU 52 N -2.73 2.44 0.26 0.99 1.43 -0.80 -5.02 118.68 115.24 2aps s LEU 52 Ca 0.03 -1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 51.61 2aps s LEU 52 Cb -0.01 -0.59 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 2aps s LEU 52 CO 0.15 -0.39 1.32 0.00 0.23 0.00 0.00 176.35 177.66 2aps s ALA 53 N -3.06 3.53 0.53 4.21 0.00 -1.26 -3.84 121.76 121.87 2aps s ALA 53 Ca 0.31 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.26 2aps s ALA 53 Cb 0.05 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 2aps s ALA 53 CO 0.12 -0.59 1.13 1.14 0.00 0.00 0.00 175.76 177.57 2aps s GLN 54 N -0.77 3.42 0.00 0.00 -2.07 -1.26 -4.78 119.66 114.19 2aps s GLN 54 Ca 0.54 1.64 0.00 0.00 -1.82 0.00 0.00 55.36 55.72 2aps s GLN 54 Cb -0.38 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.47 2aps s GLN 54 CO 0.44 -0.80 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 2aps n GLY 55 N 0.20 0.77 3.74 2.60 0.00 -0.56 -4.96 105.19 106.98 2aps n GLY 55 Ca 0.11 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 2aps n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aps s LEU 56 N 0.00 4.31 0.05 0.99 2.96 -1.26 -1.54 118.68 124.19 2aps s LEU 56 Ca 0.00 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 2aps s LEU 56 Cb 0.00 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2aps s LEU 56 CO 0.00 0.05 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.89 2aps s HIS 57 N 0.33 1.65 0.26 5.38 3.76 0.03 -3.71 115.29 122.99 2aps s HIS 57 Ca 0.26 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.49 2aps s HIS 57 Cb -0.15 -0.97 -0.11 0.00 1.11 0.00 0.00 32.58 32.45 2aps s HIS 57 CO 0.11 0.09 1.62 0.20 -0.85 0.00 0.00 174.74 175.91 2aps s GLY 58 N -1.27 1.83 -0.20 -2.22 0.00 0.16 -1.14 107.32 104.47 2aps s GLY 58 Ca 0.06 1.55 -0.01 0.00 0.00 0.00 0.00 44.72 46.32 2aps s GLY 58 CO 0.02 2.64 -0.03 -0.12 0.00 0.00 0.00 173.10 175.61 2aps s PHE 59 N 0.41 1.81 0.08 1.90 5.36 -1.26 -1.12 117.98 125.16 2aps s PHE 59 Ca 0.67 -1.31 -0.07 0.00 -0.96 0.00 0.00 56.93 55.26 2aps s PHE 59 Cb -0.48 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 2aps s PHE 59 CO 0.42 -0.68 0.13 -1.01 -1.46 0.00 0.00 175.22 172.62 2aps s HIS 60 N 1.59 0.26 -0.13 10.12 3.76 -0.82 -2.35 115.29 127.71 2aps s HIS 60 Ca -0.03 -0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 54.06 2aps s HIS 60 Cb -0.17 -0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.32 2aps s HIS 60 CO -0.07 -0.50 0.20 0.42 -0.85 0.00 0.00 174.74 173.94 2aps s ILE 61 N -3.88 5.38 0.39 0.60 1.01 0.54 -0.19 121.20 125.05 2aps s ILE 61 Ca 0.06 0.35 0.08 0.00 0.00 0.00 0.00 60.65 61.13 2aps s ILE 61 Cb 0.06 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 2aps s ILE 61 CO -0.11 0.52 0.29 -1.00 0.00 0.00 0.00 174.94 174.65 2aps s HIS 62 N -0.38 2.74 0.00 3.97 3.76 0.05 -0.68 115.29 124.75 2aps s HIS 62 Ca 0.14 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2aps s HIS 62 Cb -0.12 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.59 2aps s HIS 62 CO 0.04 0.07 0.81 1.04 -0.85 0.00 0.00 174.74 175.85 2aps n GLN 63 N -1.40 0.00 -2.55 1.40 1.13 -0.42 -2.17 117.38 113.38 2aps n GLN 63 Ca 0.01 0.38 -0.42 0.00 -1.94 0.00 0.00 57.00 55.03 2aps n GLN 63 Cb 0.62 -1.31 -0.03 0.00 0.11 0.00 0.00 30.24 29.62 2aps n GLN 63 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2aps s ASN 64 N -2.13 7.22 -0.89 1.08 0.01 0.13 -4.29 114.94 116.07 2aps s ASN 64 Ca 0.00 1.89 -0.08 0.00 -0.71 0.00 0.00 52.86 53.96 2aps s ASN 64 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 2aps s ASN 64 CO 0.00 -0.35 2.07 -0.81 -1.51 0.00 0.00 177.10 176.50 2aps n PRO 65 N 3.67 1.99 -3.71 -0.60 -0.04 -1.24 -3.73 135.00 131.34 2aps n PRO 65 Ca 0.07 -1.51 -0.14 0.00 -0.04 0.00 0.00 63.50 61.87 2aps n PRO 65 Cb 0.48 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.33 2aps n PRO 65 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aps s SER 66 N 3.66 -0.37 -0.02 3.54 0.15 -1.26 -4.93 113.70 114.46 2aps s SER 66 Ca 0.42 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.62 2aps s SER 66 Cb 0.11 0.58 0.13 0.00 -1.71 0.00 0.00 66.02 65.12 2aps s SER 66 CO -0.01 -0.36 1.09 0.00 1.20 0.00 0.00 173.24 175.16 2aps s GLU 68 N -1.30 4.54 0.89 0.00 0.41 -1.26 -3.95 118.70 118.02 2aps s GLU 68 Ca 0.11 1.28 -0.15 0.00 -0.41 0.00 0.00 54.97 55.80 2aps s GLU 68 Cb 0.08 -2.76 0.22 0.00 -1.78 0.00 0.00 34.13 29.89 2aps s GLU 68 CO 0.04 0.27 0.69 -0.35 -0.49 0.00 0.00 175.26 175.42 2aps n PRO 69 N 0.49 -2.94 -3.66 0.39 -0.04 -1.26 -0.38 135.00 127.60 2aps n PRO 69 Ca 0.02 -1.12 -0.10 0.00 -0.04 0.00 0.00 63.50 62.26 2aps n PRO 69 Cb 0.50 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2aps n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2aps s LYS 70 N -4.60 0.28 0.46 0.54 2.47 -0.99 -4.27 119.74 113.64 2aps s LYS 70 Ca 0.47 0.96 -0.14 0.00 -1.56 0.00 0.00 55.97 55.70 2aps s LYS 70 Cb -0.06 0.23 -0.07 0.00 -1.46 0.00 0.00 37.83 36.47 2aps s LYS 70 CO 0.37 -0.26 0.89 -1.83 0.16 0.00 0.00 175.35 174.68 2aps s GLU 71 N 2.56 3.88 -0.19 4.03 -1.05 -1.26 -2.05 118.70 124.63 2aps s GLU 71 Ca -0.01 0.75 -0.08 0.00 -0.15 0.00 0.00 54.97 55.48 2aps s GLU 71 Cb -0.12 -2.25 0.08 0.00 -0.44 0.00 0.00 34.13 31.40 2aps s GLU 71 CO -0.12 -0.16 0.42 0.15 0.95 0.00 0.00 175.26 176.50 2aps s LYS 72 N -3.95 0.35 -1.39 -4.83 -0.14 -0.35 -4.86 119.74 104.58 2aps s LYS 72 Ca 0.56 0.94 -0.01 0.00 -1.36 0.00 0.00 55.97 56.09 2aps s LYS 72 Cb -0.10 0.18 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 2aps s LYS 72 CO 0.31 -0.21 0.18 -0.25 -0.76 0.00 0.00 175.35 174.61 2aps n ASP 73 N 4.93 -5.10 0.00 2.83 8.00 -1.26 -2.07 116.55 123.88 2aps n ASP 73 Ca -0.15 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2aps n ASP 73 Cb 0.52 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 2aps n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aps n GLY 74 N -1.15 1.76 3.59 0.44 0.00 -1.26 -4.94 105.19 103.64 2aps n GLY 74 Ca -0.16 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2aps n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aps s LYS 75 N 0.00 3.08 0.01 1.61 0.00 -0.88 -4.91 119.74 118.65 2aps s LYS 75 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 55.97 57.36 2aps s LYS 75 Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 37.83 33.46 2aps s LYS 75 CO 0.00 -2.16 1.14 -0.51 0.00 0.00 0.00 175.35 173.82 2aps s LEU 76 N 8.21 4.34 -0.21 2.77 2.01 -1.26 -1.21 118.68 133.33 2aps s LEU 76 Ca 0.91 1.85 -0.04 0.00 0.01 0.00 0.00 54.13 56.87 2aps s LEU 76 Cb -0.27 -3.57 -0.01 0.00 0.01 0.00 0.00 46.19 42.35 2aps s LEU 76 CO 0.33 -0.45 -0.03 0.54 1.01 0.00 0.00 176.35 177.75 2aps s VAL 77 N 1.40 3.55 0.73 -1.59 0.11 -0.87 -4.93 120.40 118.80 2aps s VAL 77 Ca 0.56 -0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 2aps s VAL 77 Cb -0.26 -2.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.99 2aps s VAL 77 CO 0.26 0.43 0.90 0.00 -3.33 0.00 0.00 175.10 173.36 2aps n ALA 78 N 4.53 -0.49 -0.29 1.54 0.00 -1.26 -2.34 120.51 122.20 2aps n ALA 78 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2aps n ALA 78 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2aps n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aps n GLY 79 N 1.16 0.46 0.29 0.00 0.00 -1.25 -4.65 105.19 101.19 2aps n GLY 79 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 2aps n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aps h LEU 80 N 0.00 0.00 -1.72 0.99 4.07 -1.67 0.10 115.31 117.08 2aps h LEU 80 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2aps h LEU 80 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2aps h LEU 80 CO 0.00 0.00 0.01 1.23 -1.08 0.00 0.00 178.44 178.60 2aps h GLY 81 N 0.00 0.19 2.00 0.83 0.00 -0.89 -0.45 103.07 104.74 2aps h GLY 81 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2aps h GLY 81 CO 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 176.54 176.42 2aps h ALA 82 N 1.84 1.65 0.00 3.60 0.00 -0.59 -3.41 119.26 122.34 2aps h ALA 82 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2aps h ALA 82 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2aps h ALA 82 CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2aps n GLY 83 N -0.94 0.06 1.28 0.00 0.00 -0.18 0.19 105.19 105.60 2aps n GLY 83 Ca -0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.66 2aps n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aps n GLY 84 N 0.00 0.24 3.76 -0.02 0.00 -1.26 -4.79 105.19 103.12 2aps n GLY 84 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2aps n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aps s HIS 85 N -1.13 2.65 -0.05 1.61 3.76 -1.26 -1.29 115.29 119.57 2aps s HIS 85 Ca 0.23 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.35 2aps s HIS 85 Cb -0.01 -3.45 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 2aps s HIS 85 CO 0.15 -1.87 1.56 -0.46 -0.85 0.00 0.00 174.74 173.27 2aps s TRP 86 N -1.56 2.27 -0.38 1.40 -0.00 0.14 -4.39 118.94 116.43 2aps s TRP 86 Ca 0.69 0.41 0.11 0.00 -0.00 0.00 0.00 56.10 57.31 2aps s TRP 86 Cb -0.30 -3.82 0.32 0.00 -0.00 0.00 0.00 33.47 29.67 2aps s TRP 86 CO 0.35 -3.33 0.67 -3.47 -0.00 0.00 0.00 176.95 171.16 2aps n ASP 87 N 6.67 0.64 0.31 5.86 2.03 -1.26 -2.05 116.55 128.75 2aps n ASP 87 Ca 0.16 -2.92 0.21 0.00 0.52 0.00 0.00 54.79 52.76 2aps n ASP 87 Cb 0.43 -0.63 1.03 0.00 -0.72 0.00 0.00 41.12 41.24 2aps n ASP 87 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aps h PRO 88 N 3.30 0.00 -0.55 -0.67 0.13 -1.99 -1.73 132.00 130.49 2aps h PRO 88 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2aps h PRO 88 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2aps h PRO 88 CO 0.49 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.89 2aps n LYS 89 N -3.02 2.40 -4.11 0.86 5.02 -1.26 -4.98 118.16 113.06 2aps n LYS 89 Ca -0.02 -2.16 -0.43 0.00 -2.02 0.00 0.00 58.31 53.69 2aps n LYS 89 Cb 0.13 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2aps n LYS 89 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2aps n GLU 90 N 1.28 -0.50 0.14 1.97 1.02 -0.65 -4.87 120.64 119.02 2aps n GLU 90 Ca 0.20 0.10 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 2aps n GLU 90 Cb 0.52 -2.86 0.06 0.00 -0.02 0.00 0.00 31.44 29.15 2aps n GLU 90 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2aps h THR 91 N -2.42 0.95 -0.53 2.62 1.35 -1.87 -3.47 112.91 109.54 2aps h THR 91 Ca -0.70 -2.24 -0.23 0.00 -0.55 0.00 0.00 66.41 62.70 2aps h THR 91 Cb 1.40 2.39 -0.09 0.00 -1.73 0.00 0.00 68.15 70.13 2aps h THR 91 CO 0.56 0.52 -0.21 0.29 -0.25 0.00 0.00 175.52 176.44 2aps n LYS 92 N -3.28 -1.25 -3.86 4.72 5.02 -1.26 -4.97 118.16 113.27 2aps n LYS 92 Ca 0.01 0.86 -0.11 0.00 -2.02 0.00 0.00 58.31 57.05 2aps n LYS 92 Cb 0.72 -5.03 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 2aps n LYS 92 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2aps s GLN 93 N -2.80 0.30 0.12 1.97 -2.07 -1.26 -5.11 119.66 110.81 2aps s GLN 93 Ca 0.00 -0.14 -0.19 0.00 -1.82 0.00 0.00 55.36 53.21 2aps s GLN 93 Cb 0.00 0.13 -0.07 0.00 -1.09 0.00 0.00 33.01 31.98 2aps s GLN 93 CO 0.00 -0.06 0.61 -1.58 -1.32 0.00 0.00 175.29 172.94 2aps s HIS 94 N -0.67 3.76 0.00 9.60 5.65 -1.26 -2.32 115.29 130.05 2aps s HIS 94 Ca -0.08 1.30 0.00 0.00 0.25 0.00 0.00 55.06 56.53 2aps s HIS 94 Cb -0.05 -2.53 0.00 0.00 -1.18 0.00 0.00 32.58 28.83 2aps s HIS 94 CO 0.01 0.52 0.00 0.41 -0.65 0.00 0.00 174.74 175.02 2aps n GLY 95 N 1.40 2.81 3.79 1.59 0.00 -1.26 -4.16 105.19 109.38 2aps n GLY 95 Ca -0.08 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2aps n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aps s TYR 96 N -2.27 3.05 -0.30 1.61 2.02 -1.25 -4.73 117.35 115.49 2aps s TYR 96 Ca 0.00 1.59 0.24 0.00 -0.37 0.00 0.00 57.07 58.53 2aps s TYR 96 Cb 0.00 -3.09 1.13 0.00 -0.40 0.00 0.00 41.96 39.60 2aps s TYR 96 CO 0.00 -0.82 1.74 -1.35 -1.57 0.00 0.00 175.55 173.55 2aps h PRO 97 N 1.80 0.00 -0.28 -1.71 0.11 -1.87 -2.29 132.00 127.76 2aps h PRO 97 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2aps h PRO 97 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2aps h PRO 97 CO 0.60 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.72 2aps n TRP 98 N -2.34 0.91 -4.99 0.65 2.14 -1.26 -4.39 117.44 108.16 2aps n TRP 98 Ca 0.01 -0.82 -0.32 0.00 2.07 0.00 0.00 57.50 58.43 2aps n TRP 98 Cb 0.16 -0.28 -0.15 0.00 -0.81 0.00 0.00 31.31 30.23 2aps n TRP 98 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 2aps s SER 99 N -1.78 3.68 0.00 -0.67 0.15 -0.86 -5.01 113.70 109.22 2aps s SER 99 Ca 0.40 -0.34 0.22 0.00 0.70 0.00 0.00 55.95 56.93 2aps s SER 99 Cb 0.31 -1.06 0.95 0.00 -1.71 0.00 0.00 66.02 64.52 2aps s SER 99 CO 0.10 0.26 1.71 0.47 1.20 0.00 0.00 173.24 176.98 2aps n ASP 100 N 2.87 0.00 -0.01 5.45 8.00 -1.26 -2.51 116.55 129.10 2aps n ASP 100 Ca -0.18 0.49 0.13 0.00 0.71 0.00 0.00 54.79 55.94 2aps n ASP 100 Cb 0.52 -0.49 0.45 0.00 -0.02 0.00 0.00 41.12 41.58 2aps n ASP 100 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2aps n ASN 101 N -1.49 0.26 -4.93 -2.24 5.03 -1.26 -4.91 115.26 105.72 2aps n ASN 101 Ca 0.05 0.08 -0.26 0.00 0.87 0.00 0.00 54.58 55.33 2aps n ASN 101 Cb 0.26 -0.13 0.01 0.00 -1.02 0.00 0.00 39.78 38.90 2aps n ASN 101 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2aps s ALA 102 N -2.96 3.51 0.38 5.41 0.00 -1.04 -4.47 121.76 122.58 2aps s ALA 102 Ca 0.14 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2aps s ALA 102 Cb 0.18 -2.41 -0.11 0.00 0.00 0.00 0.00 23.12 20.79 2aps s ALA 102 CO 0.60 -0.43 1.47 -1.01 0.00 0.00 0.00 175.76 176.40 2aps s HIS 103 N -2.70 2.62 0.55 0.00 3.76 -0.98 -4.85 115.29 113.69 2aps s HIS 103 Ca 0.48 1.19 0.30 0.00 -0.15 0.00 0.00 55.06 56.88 2aps s HIS 103 Cb -0.10 -3.99 1.75 0.00 1.11 0.00 0.00 32.58 31.35 2aps s HIS 103 CO 0.42 -2.90 2.22 1.25 -0.85 0.00 0.00 174.74 174.88 2aps h LEU 104 N 3.00 0.00 -0.57 0.89 5.85 -1.91 -1.89 115.31 120.68 2aps h LEU 104 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2aps h LEU 104 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2aps h LEU 104 CO 0.64 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 2aps n GLY 105 N -1.16 -0.34 3.60 3.75 0.00 -0.87 -4.83 105.19 105.34 2aps n GLY 105 Ca -0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2aps n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aps s ASP 106 N -1.55 6.55 0.35 1.61 1.01 -0.71 -0.34 116.67 123.59 2aps s ASP 106 Ca 0.29 0.43 0.07 0.00 0.71 0.00 0.00 52.55 54.06 2aps s ASP 106 Cb 0.15 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.51 2aps s ASP 106 CO 0.23 -1.33 0.36 -0.76 0.21 0.00 0.00 175.17 173.88 2aps s LEU 107 N 4.71 3.65 0.61 1.23 1.43 -0.99 -4.15 118.68 125.16 2aps s LEU 107 Ca 0.49 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 2aps s LEU 107 Cb -0.08 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 2aps s LEU 107 CO 0.31 -0.44 1.18 -2.84 0.23 0.00 0.00 176.35 174.79 2aps s PRO 108 N -4.08 2.88 0.46 1.29 0.02 -1.26 -4.58 135.00 129.73 2aps s PRO 108 Ca 0.44 1.73 -0.25 0.00 0.02 0.00 0.00 61.00 62.94 2aps s PRO 108 Cb -0.06 -1.93 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 2aps s PRO 108 CO 0.28 -1.25 1.39 0.00 -0.33 0.00 0.00 177.00 177.08 2aps s ALA 109 N -1.77 3.15 -0.09 -1.55 0.00 -1.26 -4.47 121.76 115.77 2aps s ALA 109 Ca 0.75 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.94 2aps s ALA 109 Cb -0.28 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 2aps s ALA 109 CO 0.35 -1.16 0.41 -1.17 0.00 0.00 0.00 175.76 174.20 2aps s LEU 110 N -2.84 4.33 -0.20 0.00 2.96 -0.29 -4.87 118.68 117.76 2aps s LEU 110 Ca 0.62 0.79 -0.11 0.00 -0.22 0.00 0.00 54.13 55.21 2aps s LEU 110 Cb -0.42 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 2aps s LEU 110 CO 0.53 0.13 0.18 0.12 -1.32 0.00 0.00 176.35 175.99 2aps s PHE 111 N 0.05 3.40 -0.22 5.38 5.36 -1.26 -0.79 117.98 129.90 2aps s PHE 111 Ca 0.23 0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 56.56 2aps s PHE 111 Cb -0.15 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.31 2aps s PHE 111 CO 0.10 0.23 -0.09 0.08 -1.46 0.00 0.00 175.22 174.07 2aps s VAL 112 N 0.55 2.84 1.07 3.12 1.01 -0.59 -4.34 120.40 124.05 2aps s VAL 112 Ca 0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 2aps s VAL 112 Cb -0.12 -2.34 0.15 0.00 0.00 0.00 0.00 36.38 34.07 2aps s VAL 112 CO 0.01 0.35 0.57 -0.62 0.00 0.00 0.00 175.10 175.41 2aps n GLU 113 N 4.70 -1.40 0.20 2.72 -0.58 0.40 -1.49 120.64 125.19 2aps n GLU 113 Ca -0.18 -0.37 0.12 0.00 -0.42 0.00 0.00 57.16 56.31 2aps n GLU 113 Cb 0.49 -1.98 0.65 0.00 -0.57 0.00 0.00 31.44 30.03 2aps n GLU 113 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2aps h HIS 114 N -2.12 0.00 -0.33 -0.32 6.17 -1.97 0.21 115.15 116.78 2aps h HIS 114 Ca -0.52 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 60.55 2aps h HIS 114 Cb 1.32 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 31.25 2aps h HIS 114 CO 0.29 0.00 0.00 -0.40 0.71 0.00 0.00 177.93 178.54 2aps n ASP 115 N -2.37 4.29 -0.76 3.26 5.75 -1.26 -4.88 116.55 120.58 2aps n ASP 115 Ca -0.02 -3.02 -0.09 0.00 -0.01 0.00 0.00 54.79 51.66 2aps n ASP 115 Cb 0.11 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 2aps n ASP 115 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aps n GLY 116 N -0.27 0.73 3.53 6.12 0.00 0.73 -4.35 105.19 111.68 2aps n GLY 116 Ca 0.23 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2aps n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aps s SER 117 N -2.82 4.87 -0.31 1.61 1.04 -1.25 -0.01 113.70 116.83 2aps s SER 117 Ca 0.00 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.30 2aps s SER 117 Cb 0.00 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.43 2aps s SER 117 CO 0.00 0.20 0.06 0.00 0.98 0.00 0.00 173.24 174.48 2aps s ALA 118 N 0.16 2.96 0.00 5.32 0.00 -0.08 -0.45 121.76 129.67 2aps s ALA 118 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2aps s ALA 118 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2aps s ALA 118 CO 0.03 -1.18 0.16 0.25 0.00 0.00 0.00 175.76 175.01 2aps n THR 119 N 4.77 0.00 -2.95 0.00 -2.24 -1.26 -1.74 114.28 110.87 2aps n THR 119 Ca -0.13 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2aps n THR 119 Cb 0.45 1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 70.16 2aps n THR 119 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2aps s ASN 120 N -0.06 6.68 0.52 3.42 3.04 -1.26 -4.66 114.94 122.61 2aps s ASN 120 Ca 0.00 0.71 -0.18 0.00 0.04 0.00 0.00 52.86 53.43 2aps s ASN 120 Cb 0.00 -2.41 -0.07 0.00 -1.54 0.00 0.00 41.25 37.23 2aps s ASN 120 CO 0.00 -0.59 1.02 -2.16 -3.04 0.00 0.00 177.10 172.33 2aps s PRO 121 N 2.92 3.76 0.14 0.43 0.04 -1.26 -4.59 135.00 136.44 2aps s PRO 121 Ca 0.32 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.59 2aps s PRO 121 Cb -0.14 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 2aps s PRO 121 CO 0.12 -0.44 -0.12 0.14 0.04 0.00 0.00 177.00 176.74 2aps s VAL 122 N -2.31 1.23 -0.07 -0.36 -7.23 -0.51 -4.96 120.40 106.20 2aps s VAL 122 Ca 0.63 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 2aps s VAL 122 Cb -0.13 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2aps s VAL 122 CO 0.27 -0.61 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.12 2aps s LEU 123 N -2.87 2.97 -0.55 1.32 2.96 -1.26 -0.57 118.68 120.67 2aps s LEU 123 Ca 0.13 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2aps s LEU 123 Cb -0.01 -1.63 0.14 0.00 0.50 0.00 0.00 46.19 45.19 2aps s LEU 123 CO 0.02 0.34 0.32 0.00 -1.32 0.00 0.00 176.35 175.71 2aps s ALA 124 N -0.66 3.40 0.59 5.97 0.00 -0.55 -4.56 121.76 125.94 2aps s ALA 124 Ca 0.10 -3.21 0.34 0.00 0.00 0.00 0.00 51.96 49.19 2aps s ALA 124 Cb -0.11 -2.37 1.97 0.00 0.00 0.00 0.00 23.12 22.61 2aps s ALA 124 CO 0.01 -2.03 2.28 -1.00 0.00 0.00 0.00 175.76 175.02 2aps h PRO 125 N 6.82 0.00 0.00 0.00 0.13 -1.78 -2.65 132.00 134.52 2aps h PRO 125 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2aps h PRO 125 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2aps h PRO 125 CO 0.69 0.01 -0.05 0.54 -0.23 0.00 0.00 178.00 178.96 2aps n ARG 126 N -3.61 0.07 -4.09 0.86 1.74 -1.26 -4.54 116.66 105.83 2aps n ARG 126 Ca -0.03 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.76 2aps n ARG 126 Cb 0.09 -1.57 -0.12 0.00 -1.02 0.00 0.00 32.46 29.84 2aps n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2aps s LEU 127 N -3.38 3.42 -0.20 0.55 1.43 -1.02 -5.00 118.68 114.48 2aps s LEU 127 Ca 0.13 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2aps s LEU 127 Cb 0.17 -1.86 -0.12 0.00 0.03 0.00 0.00 46.19 44.41 2aps s LEU 127 CO 0.56 0.10 -0.18 0.29 0.23 0.00 0.00 176.35 177.35 2aps n LYS 128 N 4.01 0.48 -4.39 1.70 4.76 -1.26 -0.98 118.16 122.47 2aps n LYS 128 Ca -0.17 0.12 -0.30 0.00 -2.87 0.00 0.00 58.31 55.09 2aps n LYS 128 Cb 0.52 -1.38 -0.11 0.00 -1.84 0.00 0.00 35.03 32.22 2aps n LYS 128 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2aps s LYS 129 N -2.39 1.92 0.54 1.97 -0.14 -1.26 -4.63 119.74 115.76 2aps s LYS 129 Ca -0.26 -1.10 0.23 0.00 -1.36 0.00 0.00 55.97 53.48 2aps s LYS 129 Cb 0.07 -2.16 1.50 0.00 -1.68 0.00 0.00 37.83 35.56 2aps s LYS 129 CO 0.44 0.50 2.18 -0.07 -0.76 0.00 0.00 175.35 177.64 2aps h LEU 130 N 3.96 0.00 -1.28 3.17 3.38 -1.95 -2.85 115.31 119.74 2aps h LEU 130 Ca -0.49 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2aps h LEU 130 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2aps h LEU 130 CO 0.47 0.03 0.26 0.44 0.09 0.00 0.00 178.44 179.73 2aps h ASP 131 N 0.00 0.68 -0.94 -0.43 5.19 -1.98 -3.09 116.42 115.85 2aps h ASP 131 Ca -0.00 -0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.41 2aps h ASP 131 Cb 0.06 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 39.33 2aps h ASP 131 CO 0.00 0.58 0.61 -0.33 -3.12 0.00 0.00 179.24 176.98 2aps h GLU 132 N 0.75 1.06 0.00 3.56 5.08 -1.94 -2.51 114.58 120.58 2aps h GLU 132 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2aps h GLU 132 Cb 0.08 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2aps h GLU 132 CO -0.03 0.70 -0.13 1.33 -1.00 0.00 0.00 179.01 179.88 2aps n VAL 133 N -4.49 0.40 -2.03 3.13 0.24 -1.17 -4.90 118.33 109.52 2aps n VAL 133 Ca 0.14 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.84 2aps n VAL 133 Cb 0.18 -0.45 -0.00 0.00 -1.47 0.00 0.00 33.84 32.10 2aps n VAL 133 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2aps s LYS 134 N -3.08 3.95 0.00 7.34 1.02 -0.95 -3.30 119.74 124.72 2aps s LYS 134 Ca 0.11 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.29 2aps s LYS 134 Cb 0.14 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2aps s LYS 134 CO 0.61 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2aps n GLY 135 N 0.66 0.41 3.32 -3.33 0.00 -0.21 -5.03 105.19 101.00 2aps n GLY 135 Ca 0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 2aps n GLY 135 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aps s HIS 136 N -2.00 0.83 0.34 1.61 3.76 -1.21 -3.62 115.29 115.01 2aps s HIS 136 Ca 0.00 -1.12 0.07 0.00 -0.15 0.00 0.00 55.06 53.86 2aps s HIS 136 Cb 0.00 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 2aps s HIS 136 CO 0.00 -0.73 0.40 -1.54 -0.85 0.00 0.00 174.74 172.01 2aps s SER 137 N -3.09 5.63 -0.22 1.40 1.04 -0.92 -1.47 113.70 116.07 2aps s SER 137 Ca 0.31 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2aps s SER 137 Cb 0.05 -1.07 0.04 0.00 0.10 0.00 0.00 66.02 65.14 2aps s SER 137 CO 0.09 -0.42 -0.14 -0.22 0.98 0.00 0.00 173.24 173.53 2aps s LEU 138 N -4.11 2.73 -0.02 2.42 2.96 0.49 -0.77 118.68 122.40 2aps s LEU 138 Ca 0.44 -1.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2aps s LEU 138 Cb -0.08 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2aps s LEU 138 CO 0.29 -0.12 -0.02 -0.32 -1.32 0.00 0.00 176.35 174.86 2aps s MET 139 N 1.24 2.75 -0.22 1.98 -2.45 0.73 -1.71 119.30 121.61 2aps s MET 139 Ca -0.03 -0.61 -0.00 0.00 -1.25 0.00 0.00 55.69 53.80 2aps s MET 139 Cb -0.17 -2.63 0.06 0.00 1.25 0.00 0.00 34.83 33.33 2aps s MET 139 CO -0.08 0.63 -0.04 0.42 1.05 0.00 0.00 175.02 177.00 2aps s ILE 140 N -1.01 1.28 0.73 10.11 1.01 0.20 -1.95 121.20 131.57 2aps s ILE 140 Ca 0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 2aps s ILE 140 Cb -0.11 -1.58 0.06 0.00 0.01 0.00 0.00 42.46 40.84 2aps s ILE 140 CO 0.08 -0.09 1.07 -1.00 0.00 0.00 0.00 174.94 175.00 2aps s HIS 141 N 1.52 2.98 0.01 3.97 3.76 -0.28 -0.57 115.29 126.67 2aps s HIS 141 Ca -0.04 0.61 -0.19 0.00 -0.15 0.00 0.00 55.06 55.28 2aps s HIS 141 Cb -0.18 -3.27 -0.25 0.00 1.11 0.00 0.00 32.58 30.00 2aps s HIS 141 CO -0.07 -1.49 1.08 1.49 -0.85 0.00 0.00 174.74 174.91 2aps h GLU 142 N -0.74 0.44 0.00 1.40 4.81 -1.10 -3.38 114.58 116.01 2aps h GLU 142 Ca -0.45 -0.50 -0.35 0.00 -0.13 0.00 0.00 59.36 57.93 2aps h GLU 142 Cb 1.31 0.15 0.07 0.00 0.63 0.00 0.00 28.75 30.92 2aps h GLU 142 CO 0.63 1.16 0.12 0.41 -0.73 0.00 0.00 179.01 180.59 2aps n GLY 143 N 1.15 0.38 0.00 1.92 0.00 0.42 -4.84 105.19 104.22 2aps n GLY 143 Ca -0.11 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2aps n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aps n GLY 144 N -0.90 0.89 3.22 -0.02 0.00 -1.24 -0.67 105.19 106.48 2aps n GLY 144 Ca 0.12 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.80 2aps n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aps s ASP 145 N -1.00 -0.81 0.00 1.61 -1.08 -1.24 -3.14 116.67 111.00 2aps s ASP 145 Ca 0.00 0.64 0.19 0.00 -0.52 0.00 0.00 52.55 52.85 2aps s ASP 145 Cb 0.00 1.73 0.53 0.00 -1.46 0.00 0.00 42.92 43.73 2aps s ASP 145 CO 0.00 -0.15 1.44 -0.46 0.52 0.00 0.00 175.17 176.52 2aps n ASN 146 N 5.37 3.23 -3.80 -0.34 6.94 -0.90 -4.95 115.26 120.81 2aps n ASN 146 Ca -0.06 -2.00 -0.26 0.00 -0.02 0.00 0.00 54.58 52.24 2aps n ASN 146 Cb 0.52 -0.40 0.04 0.00 -2.36 0.00 0.00 39.78 37.58 2aps n ASN 146 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2aps n HIS 147 N 1.27 -2.25 -3.78 -2.53 8.25 -1.26 -4.98 115.22 109.94 2aps n HIS 147 Ca 0.20 0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 58.47 2aps n HIS 147 Cb 0.51 -4.27 -0.04 0.00 1.12 0.00 0.00 29.99 27.31 2aps n HIS 147 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2aps s SER 148 N -3.67 -0.20 0.00 0.41 0.15 -1.26 -3.94 113.70 105.18 2aps s SER 148 Ca 0.43 -0.55 0.19 0.00 0.70 0.00 0.00 55.95 56.72 2aps s SER 148 Cb -0.21 0.55 0.52 0.00 -1.71 0.00 0.00 66.02 65.17 2aps s SER 148 CO 0.81 -1.02 1.43 0.47 1.20 0.00 0.00 173.24 176.13 2aps n ASP 149 N -0.31 2.93 -3.95 5.45 8.00 -1.26 0.46 116.55 127.86 2aps n ASP 149 Ca -0.10 -1.96 -0.14 0.00 0.71 0.00 0.00 54.79 53.30 2aps n ASP 149 Cb 0.63 -0.32 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 2aps n ASP 149 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2aps s HIS 150 N -1.35 0.36 -0.10 1.24 3.76 -1.26 -3.09 115.29 114.84 2aps s HIS 150 Ca 0.37 -0.17 0.30 0.00 -0.15 0.00 0.00 55.06 55.42 2aps s HIS 150 Cb 0.20 -0.23 1.20 0.00 1.11 0.00 0.00 32.58 34.86 2aps s HIS 150 CO 0.27 -0.03 1.89 -1.00 -0.85 0.00 0.00 174.74 175.01 2aps h PRO 151 N 5.69 0.00 -6.35 8.40 0.13 -1.98 -3.49 132.00 134.41 2aps h PRO 151 Ca -0.28 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.15 2aps h PRO 151 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 2aps h PRO 151 CO 0.48 0.00 -0.78 0.00 -0.23 0.00 0.00 178.00 177.47 2aps s ALA 152 N -3.54 2.64 0.55 -0.56 0.00 -1.25 -5.10 121.76 114.50 2aps s ALA 152 Ca 0.03 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 2aps s ALA 152 Cb 0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 2aps s ALA 152 CO 0.51 0.56 1.24 -2.30 0.00 0.00 0.00 175.76 175.77 2aps n PRO 153 N 2.29 1.48 -3.88 0.00 -0.02 -1.18 -3.35 135.00 130.34 2aps n PRO 153 Ca -0.17 0.55 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 2aps n PRO 153 Cb 0.52 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 2aps n PRO 153 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aps n LEU 154 N -0.83 -2.63 0.00 2.45 7.99 -1.26 -2.28 117.00 120.45 2aps n LEU 154 Ca 0.11 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.32 2aps n LEU 154 Cb 0.45 -2.56 0.00 0.00 -0.11 0.00 0.00 43.42 41.19 2aps n LEU 154 CO 0.53 0.46 0.00 0.61 -1.51 0.00 0.00 177.39 177.48 2aps n GLY 155 N -1.68 1.07 2.06 -0.72 0.00 0.17 -3.77 105.19 102.33 2aps n GLY 155 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2aps n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aps n GLY 156 N -2.00 0.29 0.23 -0.02 0.00 -0.96 -2.12 105.19 100.60 2aps n GLY 156 Ca 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 2aps n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aps h GLY 157 N 0.00 0.86 0.00 -0.02 0.00 -1.64 -3.36 103.07 98.90 2aps h GLY 157 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.22 2aps h GLY 157 CO 0.08 0.93 0.00 0.61 0.00 0.00 0.00 176.54 178.17 2aps n GLY 158 N 0.44 0.73 3.71 4.60 0.00 -1.26 -0.44 105.19 112.97 2aps n GLY 158 Ca -0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2aps n GLY 158 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aps n PRO 159 N 12.28 2.20 -2.69 1.61 -0.04 -1.26 -4.78 135.00 142.32 2aps n PRO 159 Ca 0.00 0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 63.81 2aps n PRO 159 Cb 0.00 -2.37 -0.03 0.00 -0.04 0.00 0.00 33.50 31.05 2aps n PRO 159 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2aps s ARG 160 N -1.91 3.19 0.17 0.54 0.52 -1.26 -0.90 118.95 119.30 2aps s ARG 160 Ca 0.55 -0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 2aps s ARG 160 Cb -0.56 -4.29 0.04 0.00 0.52 0.00 0.00 34.95 30.66 2aps s ARG 160 CO 0.62 -2.00 1.46 1.98 0.02 0.00 0.00 175.30 177.38 2aps h MET 161 N 9.78 0.65 -3.66 3.54 1.85 -1.50 -3.44 114.93 122.15 2aps h MET 161 Ca -0.24 -0.43 -0.09 0.00 -0.61 0.00 0.00 59.70 58.33 2aps h MET 161 Cb 1.06 0.06 -0.15 0.00 0.43 0.00 0.00 31.60 32.99 2aps h MET 161 CO 1.24 1.04 -0.36 0.00 -0.40 0.00 0.00 176.91 178.43 2aps s ALA 162 N -3.99 -0.33 0.23 0.39 0.00 0.26 -1.90 121.76 116.43 2aps s ALA 162 Ca -0.08 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 2aps s ALA 162 Cb 0.11 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2aps s ALA 162 CO 0.86 -0.45 0.55 0.00 0.00 0.00 0.00 175.76 176.72 2aps s GLY 164 N -2.94 -0.28 -0.15 0.00 0.00 -0.70 -0.60 107.32 102.66 2aps s GLY 164 Ca 0.15 2.08 -0.13 0.00 0.00 0.00 0.00 44.72 46.82 2aps s GLY 164 CO 0.04 1.18 0.27 0.14 0.00 0.00 0.00 173.10 174.73 2aps s VAL 165 N -0.85 5.31 -0.50 1.40 1.01 -1.26 -0.38 120.40 125.13 2aps s VAL 165 Ca -0.02 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2aps s VAL 165 Cb -0.01 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2aps s VAL 165 CO 0.01 0.44 0.77 -0.63 0.00 0.00 0.00 175.10 175.69 2aps s ILE 166 N 0.16 4.65 -1.52 2.22 1.01 -0.54 -4.53 121.20 122.65 2aps s ILE 166 Ca 0.16 0.04 0.12 0.00 0.00 0.00 0.00 60.65 60.97 2aps s ILE 166 Cb -0.13 -4.38 0.10 0.00 0.01 0.00 0.00 42.46 38.06 2aps s ILE 166 CO 0.04 -0.87 0.89 0.29 0.00 0.00 0.00 174.94 175.28