#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ae8 s TYR 3 N 0.00 2.30 -0.18 9.51 1.51 -0.52 -5.00 117.35 124.96 2ae8 s TYR 3 Ca 0.00 -0.78 -0.14 0.00 -1.01 0.00 0.00 57.07 55.14 2ae8 s TYR 3 Cb 0.00 -1.53 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2ae8 s TYR 3 CO 0.00 -0.28 0.46 -1.14 -1.11 0.00 0.00 175.55 173.48 2ae8 s GLN 4 N 0.08 0.50 0.12 -0.62 0.74 -1.26 -0.59 119.66 118.63 2ae8 s GLN 4 Ca -0.09 0.72 -0.25 0.00 0.05 0.00 0.00 55.36 55.79 2ae8 s GLN 4 Cb -0.15 0.17 0.07 0.00 1.10 0.00 0.00 33.01 34.20 2ae8 s GLN 4 CO 0.05 -0.10 0.77 -1.59 -0.55 0.00 0.00 175.29 173.88 2ae8 s LYS 5 N 0.67 1.19 0.08 1.67 -2.85 -0.38 -5.02 119.74 115.10 2ae8 s LYS 5 Ca -0.03 -0.52 0.06 0.00 -1.00 0.00 0.00 55.97 54.47 2ae8 s LYS 5 Cb -0.05 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2ae8 s LYS 5 CO -0.05 -0.53 -0.15 1.14 0.10 0.00 0.00 175.35 175.86 2ae8 s GLN 6 N -3.49 0.87 0.00 1.78 -2.07 -1.26 -1.23 119.66 114.26 2ae8 s GLN 6 Ca 0.06 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.59 2ae8 s GLN 6 Cb -0.02 -0.90 0.00 0.00 -1.09 0.00 0.00 33.01 31.00 2ae8 s GLN 6 CO -0.06 0.20 0.00 0.54 -1.32 0.00 0.00 175.29 174.65 2ae8 n ARG 7 N 1.19 0.00 -0.74 9.60 1.74 0.43 -4.98 116.66 123.90 2ae8 n ARG 7 Ca -0.21 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.92 2ae8 n ARG 7 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 2ae8 n ARG 7 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2ae8 n THR 12 N 0.00 -0.10 -3.75 0.55 -2.24 -1.26 -4.58 114.28 102.89 2ae8 n THR 12 Ca 0.00 0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.76 2ae8 n THR 12 Cb 0.00 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 67.76 2ae8 n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ae8 s GLN 13 N -3.81 0.18 -0.08 -0.78 -2.07 0.69 -4.99 119.66 108.80 2ae8 s GLN 13 Ca 0.00 0.23 0.04 0.00 -1.82 0.00 0.00 55.36 53.82 2ae8 s GLN 13 Cb 0.00 -0.61 0.00 0.00 -1.09 0.00 0.00 33.01 31.31 2ae8 s GLN 13 CO 0.00 -0.27 -0.22 -1.17 -1.32 0.00 0.00 175.29 172.31 2ae8 s LEU 14 N 1.82 1.99 -0.15 2.60 2.96 -1.26 -0.66 118.68 125.98 2ae8 s LEU 14 Ca 0.01 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2ae8 s LEU 14 Cb -0.12 -1.26 0.05 0.00 0.50 0.00 0.00 46.19 45.35 2ae8 s LEU 14 CO -0.03 0.15 0.01 0.21 -1.32 0.00 0.00 176.35 175.37 2ae8 s ASN 15 N 0.27 2.47 -0.02 3.68 2.47 0.02 -0.43 114.94 123.41 2ae8 s ASN 15 Ca -0.14 -0.56 0.01 0.00 0.42 0.00 0.00 52.86 52.59 2ae8 s ASN 15 Cb -0.16 -0.59 0.01 0.00 -1.45 0.00 0.00 41.25 39.05 2ae8 s ASN 15 CO 0.06 -0.25 -0.05 -0.63 -3.72 0.00 0.00 177.10 172.51 2ae8 s ILE 16 N 1.86 0.45 0.06 -5.21 1.01 -0.37 -1.01 121.20 118.00 2ae8 s ILE 16 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2ae8 s ILE 16 Cb -0.15 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 2ae8 s ILE 16 CO -0.07 0.16 -0.13 -0.94 0.00 0.00 0.00 174.94 173.96 2ae8 s SER 17 N 0.26 1.50 0.05 3.58 1.04 -0.17 -1.25 113.70 118.70 2ae8 s SER 17 Ca -0.03 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.88 2ae8 s SER 17 Cb -0.07 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2ae8 s SER 17 CO -0.00 -0.07 -0.10 -0.51 0.98 0.00 0.00 173.24 173.54 2ae8 s ILE 18 N -1.17 0.70 -0.20 -1.02 2.07 0.24 -0.78 121.20 121.04 2ae8 s ILE 18 Ca -0.03 -1.09 -0.15 0.00 -1.41 0.00 0.00 60.65 57.97 2ae8 s ILE 18 Cb -0.09 -0.73 0.06 0.00 0.13 0.00 0.00 42.46 41.83 2ae8 s ILE 18 CO 0.02 -0.30 0.52 -0.55 -1.91 0.00 0.00 174.94 172.72 2ae8 s SER 19 N -1.53 -0.61 -0.87 4.50 0.15 -0.54 -1.44 113.70 113.36 2ae8 s SER 19 Ca -0.07 1.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.61 2ae8 s SER 19 Cb -0.10 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.21 2ae8 s SER 19 CO 0.01 -0.20 2.93 -0.67 1.20 0.00 0.00 173.24 176.51 2ae8 n ASP 20 N 3.51 7.17 -0.09 5.45 2.03 -1.26 -0.44 116.55 132.91 2ae8 n ASP 20 Ca -0.18 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.28 2ae8 n ASP 20 Cb 0.56 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2ae8 n ASP 20 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ae8 n ASP 21 N 2.17 0.37 -0.79 1.67 5.68 -1.26 -5.01 116.55 119.38 2ae8 n ASP 21 Ca 0.59 -0.08 0.07 0.00 -0.50 0.00 0.00 54.79 54.87 2ae8 n ASP 21 Cb 0.48 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.67 2ae8 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ae8 n GLN 22 N 0.00 2.94 -0.97 0.11 1.13 -1.26 -4.07 117.38 115.26 2ae8 n GLN 22 Ca 0.00 -2.44 -0.34 0.00 -1.94 0.00 0.00 57.00 52.28 2ae8 n GLN 22 Cb 0.00 -1.56 0.11 0.00 0.11 0.00 0.00 30.24 28.91 2ae8 n GLN 22 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2ae8 n SER 23 N 0.06 -0.89 -4.81 1.08 3.41 -1.26 -4.94 113.62 106.27 2ae8 n SER 23 Ca 0.17 0.46 -0.32 0.00 -0.26 0.00 0.00 58.87 58.92 2ae8 n SER 23 Cb 0.66 -1.31 0.03 0.00 -0.26 0.00 0.00 64.21 63.33 2ae8 n SER 23 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ae8 s PRO 24 N -3.63 3.12 -0.16 4.33 0.04 -1.26 -4.72 135.00 132.72 2ae8 s PRO 24 Ca 0.64 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2ae8 s PRO 24 Cb -0.27 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2ae8 s PRO 24 CO 0.60 -0.96 -0.01 -1.12 0.04 0.00 0.00 177.00 175.55 2ae8 s SER 25 N -3.35 4.98 -0.24 6.66 0.01 -1.26 -4.72 113.70 115.78 2ae8 s SER 25 Ca 0.60 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.80 2ae8 s SER 25 Cb -0.15 -1.83 0.05 0.00 0.21 0.00 0.00 66.02 64.31 2ae8 s SER 25 CO 0.47 0.16 -0.13 -2.28 0.41 0.00 0.00 173.24 171.87 2ae8 s HIS 26 N 0.41 3.14 -0.26 2.43 5.04 -1.08 -5.00 115.29 119.97 2ae8 s HIS 26 Ca -0.02 -2.11 -0.01 0.00 -1.54 0.00 0.00 55.06 51.38 2ae8 s HIS 26 Cb -0.14 -1.94 0.04 0.00 0.04 0.00 0.00 32.58 30.58 2ae8 s HIS 26 CO 0.02 -0.85 -0.06 0.42 -2.34 0.00 0.00 174.74 171.93 2ae8 s ILE 27 N 1.16 2.74 -0.43 0.89 1.01 -1.26 -0.29 121.20 125.02 2ae8 s ILE 27 Ca -0.05 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.37 2ae8 s ILE 27 Cb -0.18 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 39.95 2ae8 s ILE 27 CO -0.07 0.07 0.27 0.21 0.00 0.00 0.00 174.94 175.42 2ae8 s ASN 28 N 1.26 3.24 0.06 3.58 2.47 0.20 -4.92 114.94 120.83 2ae8 s ASN 28 Ca -0.03 -2.68 0.23 0.00 0.42 0.00 0.00 52.86 50.80 2ae8 s ASN 28 Cb -0.18 -0.83 0.03 0.00 -1.45 0.00 0.00 41.25 38.81 2ae8 s ASN 28 CO -0.04 -0.25 1.00 0.35 -3.72 0.00 0.00 177.10 174.44 2ae8 n THR 29 N 3.44 0.21 -0.16 -5.21 -2.24 -1.26 -1.10 114.28 107.96 2ae8 n THR 29 Ca 0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2ae8 n THR 29 Cb 0.37 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2ae8 n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ae8 n GLY 30 N 1.34 1.65 3.13 3.38 0.00 -1.26 -4.73 105.19 108.70 2ae8 n GLY 30 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2ae8 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ae8 s VAL 31 N -2.80 2.67 0.16 1.61 1.01 -1.26 -5.02 120.40 116.77 2ae8 s VAL 31 Ca 0.00 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 2ae8 s VAL 31 Cb 0.00 -2.59 0.05 0.00 0.00 0.00 0.00 36.38 33.85 2ae8 s VAL 31 CO 0.00 -0.13 1.73 1.23 0.00 0.00 0.00 175.10 177.92 2ae8 h GLY 32 N 7.90 0.46 0.97 4.51 0.00 -1.99 0.13 103.07 115.05 2ae8 h GLY 32 Ca -0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2ae8 h GLY 32 CO 0.51 -0.03 0.22 -2.75 0.00 0.00 0.00 176.54 174.49 2ae8 h PHE 33 N 0.20 0.77 -0.45 5.60 3.57 -1.95 -2.44 116.94 122.25 2ae8 h PHE 33 Ca 0.19 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 2ae8 h PHE 33 Cb 0.22 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2ae8 h PHE 33 CO -0.20 0.62 -0.08 1.25 -2.23 0.00 0.00 178.31 177.68 2ae8 h LEU 34 N 0.69 0.77 -0.60 0.59 5.85 -1.85 -2.08 115.31 118.68 2ae8 h LEU 34 Ca 0.17 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.80 2ae8 h LEU 34 Cb 0.16 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 2ae8 h LEU 34 CO -0.02 0.88 -0.17 0.78 -0.34 0.00 0.00 178.44 179.57 2ae8 h ASN 35 N 0.72 -0.63 0.00 1.25 2.35 -0.46 -0.50 115.58 118.31 2ae8 h ASN 35 Ca 0.13 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2ae8 h ASN 35 Cb 0.55 0.40 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2ae8 h ASN 35 CO 0.03 -0.22 0.00 1.41 -1.65 0.00 0.00 177.43 177.01 2ae8 n HIS 36 N -5.42 0.00 0.00 1.19 8.25 -0.78 -1.77 115.22 116.68 2ae8 n HIS 36 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2ae8 n HIS 36 Cb 0.32 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2ae8 n HIS 36 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ae8 n LEU 38 N 0.43 0.00 -0.18 2.41 4.77 -0.20 -2.06 117.00 122.17 2ae8 n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2ae8 n LEU 38 Cb 0.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2ae8 n LEU 38 CO 0.00 0.00 0.90 0.74 -1.33 0.00 0.00 177.39 177.70 2ae8 h THR 39 N 0.00 1.24 -0.45 -5.08 2.02 -1.58 -1.67 112.91 107.40 2ae8 h THR 39 Ca 0.00 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 2ae8 h THR 39 Cb 0.00 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2ae8 h THR 39 CO 0.00 0.30 0.27 -0.07 0.37 0.00 0.00 175.52 176.40 2ae8 h LEU 40 N 0.70 0.54 -0.53 2.58 3.38 -1.69 -2.46 115.31 117.82 2ae8 h LEU 40 Ca 0.16 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2ae8 h LEU 40 Cb 0.32 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2ae8 h LEU 40 CO 0.00 0.43 0.13 0.15 0.09 0.00 0.00 178.44 179.24 2ae8 h PHE 41 N 0.60 0.20 -0.21 1.13 3.57 -1.79 -0.32 116.94 120.12 2ae8 h PHE 41 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 2ae8 h PHE 41 Cb -0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2ae8 h PHE 41 CO -0.03 0.01 0.12 1.79 -2.23 0.00 0.00 178.31 177.97 2ae8 h THR 42 N 0.27 1.09 -0.58 4.41 1.35 -1.06 0.51 112.91 118.90 2ae8 h THR 42 Ca 0.27 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.85 2ae8 h THR 42 Cb 0.36 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2ae8 h THR 42 CO -0.34 0.09 0.17 0.15 -0.25 0.00 0.00 175.52 175.34 2ae8 h PHE 43 N 0.24 0.95 0.00 4.73 3.57 -1.08 -1.88 116.94 123.47 2ae8 h PHE 43 Ca 0.07 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 2ae8 h PHE 43 Cb 0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2ae8 h PHE 43 CO -0.05 0.80 -0.98 0.45 -2.23 0.00 0.00 178.31 176.30 2ae8 h HIS 44 N 0.83 0.00 0.00 0.41 3.86 -0.90 -3.29 115.15 116.05 2ae8 h HIS 44 Ca 0.19 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 2ae8 h HIS 44 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2ae8 h HIS 44 CO 0.02 0.55 -0.77 0.66 0.86 0.00 0.00 177.93 179.25 2ae8 h SER 45 N 0.00 0.00 0.00 2.45 4.64 -0.92 -3.29 113.55 116.43 2ae8 h SER 45 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2ae8 h SER 45 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2ae8 h SER 45 CO 0.06 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2ae8 n GLY 46 N 1.20 0.66 3.70 -0.77 0.00 -0.71 -4.41 105.19 104.85 2ae8 n GLY 46 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2ae8 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ae8 s LEU 47 N 0.00 4.18 0.04 0.99 1.43 -1.19 -4.24 118.68 119.88 2ae8 s LEU 47 Ca 0.00 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 2ae8 s LEU 47 Cb 0.00 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2ae8 s LEU 47 CO 0.00 0.08 1.16 -0.44 0.23 0.00 0.00 176.35 177.37 2ae8 s SER 48 N 0.74 7.13 -0.09 2.29 0.01 0.42 -4.34 113.70 119.87 2ae8 s SER 48 Ca 0.12 1.92 0.04 0.00 1.31 0.00 0.00 55.95 59.35 2ae8 s SER 48 Cb -0.13 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.52 2ae8 s SER 48 CO 0.03 -0.44 -0.23 -0.76 0.41 0.00 0.00 173.24 172.25 2ae8 s LEU 49 N 1.16 2.13 -0.15 2.44 1.43 -1.26 -1.46 118.68 122.97 2ae8 s LEU 49 Ca 0.57 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2ae8 s LEU 49 Cb -0.27 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2ae8 s LEU 49 CO 0.28 0.19 -0.18 0.20 0.23 0.00 0.00 176.35 177.07 2ae8 s ASN 50 N 0.17 2.91 -0.06 2.29 0.01 0.04 -2.62 114.94 117.68 2ae8 s ASN 50 Ca -0.13 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.47 2ae8 s ASN 50 Cb -0.16 -1.33 0.02 0.00 0.41 0.00 0.00 41.25 40.18 2ae8 s ASN 50 CO 0.07 0.01 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.98 2ae8 s ILE 51 N 1.18 0.71 -0.13 0.60 1.01 0.61 -1.00 121.20 124.16 2ae8 s ILE 51 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2ae8 s ILE 51 Cb -0.14 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.66 2ae8 s ILE 51 CO -0.08 0.27 -0.03 -1.61 0.00 0.00 0.00 174.94 173.49 2ae8 s GLU 52 N 0.98 1.12 -0.06 2.79 0.41 -0.18 -0.63 118.70 123.13 2ae8 s GLU 52 Ca -0.10 -0.28 0.04 0.00 -0.41 0.00 0.00 54.97 54.22 2ae8 s GLU 52 Cb -0.14 -1.67 -0.02 0.00 -1.78 0.00 0.00 34.13 30.52 2ae8 s GLU 52 CO 0.00 -0.40 -0.16 0.00 -0.49 0.00 0.00 175.26 174.22 2ae8 s ALA 53 N 1.77 2.59 -0.05 5.21 0.00 -0.26 -0.80 121.76 130.22 2ae8 s ALA 53 Ca 0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2ae8 s ALA 53 Cb -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2ae8 s ALA 53 CO -0.07 0.51 0.14 -1.14 0.00 0.00 0.00 175.76 175.20 2ae8 s GLN 54 N -0.57 0.16 0.00 0.00 2.00 0.16 -4.72 119.66 116.68 2ae8 s GLN 54 Ca 0.08 0.20 0.00 0.00 -2.00 0.00 0.00 55.36 53.65 2ae8 s GLN 54 Cb -0.11 0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.76 2ae8 s GLN 54 CO 0.01 -0.03 0.00 0.41 -0.50 0.00 0.00 175.29 175.18 2ae8 n GLY 55 N 3.08 -0.47 1.49 2.59 0.00 -1.26 -0.22 105.19 110.40 2ae8 n GLY 55 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2ae8 n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ae8 n ASP 60 N 0.00 0.00 -0.02 1.61 2.03 -1.26 -5.00 116.55 113.91 2ae8 n ASP 60 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 2ae8 n ASP 60 Cb 0.00 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 40.87 2ae8 n ASP 60 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2ae8 h ASP 61 N 0.00 0.40 0.24 1.67 3.45 -2.00 -1.68 116.42 118.50 2ae8 h ASP 61 Ca 0.00 -0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 2ae8 h ASP 61 Cb 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2ae8 h ASP 61 CO 0.00 0.27 -0.12 -0.74 -1.57 0.00 0.00 179.24 177.08 2ae8 h HIS 62 N 0.46 -0.30 -0.23 4.55 2.76 -1.99 0.76 115.15 121.16 2ae8 h HIS 62 Ca 0.19 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2ae8 h HIS 62 Cb 0.20 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2ae8 h HIS 62 CO -0.00 -0.18 0.02 0.45 -1.30 0.00 0.00 177.93 176.92 2ae8 h HIS 63 N -0.33 0.42 -0.27 5.26 3.86 -1.94 -1.38 115.15 120.76 2ae8 h HIS 63 Ca -0.03 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 2ae8 h HIS 63 Cb 0.25 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 2ae8 h HIS 63 CO -0.06 0.55 0.02 0.28 0.86 0.00 0.00 177.93 179.58 2ae8 h VAL 64 N 0.18 0.83 -0.26 2.45 2.07 -1.30 -0.24 116.25 119.99 2ae8 h VAL 64 Ca 0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2ae8 h VAL 64 Cb 0.36 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2ae8 h VAL 64 CO 0.01 0.02 0.10 0.74 0.02 0.00 0.00 177.57 178.46 2ae8 h THR 65 N 0.12 1.17 -0.54 2.57 2.02 -0.73 -1.63 112.91 115.88 2ae8 h THR 65 Ca 0.13 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 2ae8 h THR 65 Cb 0.15 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2ae8 h THR 65 CO -0.20 0.17 -0.11 -0.08 0.37 0.00 0.00 175.52 175.68 2ae8 h GLU 66 N 0.27 1.02 -0.49 6.66 4.81 -1.11 -2.00 114.58 123.74 2ae8 h GLU 66 Ca 0.09 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.85 2ae8 h GLU 66 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2ae8 h GLU 66 CO -0.01 1.06 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.84 2ae8 h ASP 67 N 0.90 0.85 -0.32 1.04 3.45 -0.86 0.19 116.42 121.68 2ae8 h ASP 67 Ca 0.14 -0.24 -0.04 0.00 0.43 0.00 0.00 57.03 57.32 2ae8 h ASP 67 Cb 0.67 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2ae8 h ASP 67 CO 0.05 0.94 0.03 0.40 -1.57 0.00 0.00 179.24 179.09 2ae8 h ILE 68 N 0.79 1.24 -0.72 0.35 2.04 -1.22 -2.65 117.51 117.35 2ae8 h ILE 68 Ca 0.14 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2ae8 h ILE 68 Cb 0.55 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 2ae8 h ILE 68 CO 0.03 0.29 0.47 1.23 0.00 0.00 0.00 178.15 180.17 2ae8 h GLY 69 N 0.36 1.02 1.00 5.37 0.00 -1.04 -0.75 103.07 109.04 2ae8 h GLY 69 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ae8 h GLY 69 CO 0.01 0.39 0.29 -2.22 0.00 0.00 0.00 176.54 175.01 2ae8 h ILE 70 N 0.98 1.12 -0.06 2.60 2.04 -0.90 -0.68 117.51 122.60 2ae8 h ILE 70 Ca 0.26 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 2ae8 h ILE 70 Cb -0.09 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2ae8 h ILE 70 CO -0.05 0.12 -0.07 0.58 0.00 0.00 0.00 178.15 178.73 2ae8 h VAL 71 N 0.61 1.38 -0.67 1.67 2.07 -1.30 0.56 116.25 120.57 2ae8 h VAL 71 Ca 0.16 -1.23 0.12 0.00 0.82 0.00 0.00 66.70 66.57 2ae8 h VAL 71 Cb -0.06 2.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.69 2ae8 h VAL 71 CO -0.03 0.34 0.23 0.40 0.02 0.00 0.00 177.57 178.52 2ae8 h ILE 72 N -0.29 0.69 -0.49 4.57 2.04 -1.13 0.14 117.51 123.04 2ae8 h ILE 72 Ca 0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2ae8 h ILE 72 Cb 0.58 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2ae8 h ILE 72 CO 0.02 0.07 0.32 1.23 0.00 0.00 0.00 178.15 179.79 2ae8 h GLY 73 N 0.38 0.69 1.08 5.37 0.00 -0.85 0.50 103.07 110.25 2ae8 h GLY 73 Ca 0.35 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 2ae8 h GLY 73 CO -0.38 0.24 0.11 1.46 0.00 0.00 0.00 176.54 177.98 2ae8 h GLN 74 N 0.65 1.12 -0.28 4.80 4.20 0.02 -1.91 115.11 123.71 2ae8 h GLN 74 Ca 0.18 -0.30 -0.14 0.00 0.06 0.00 0.00 58.65 58.45 2ae8 h GLN 74 Cb -0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2ae8 h GLN 74 CO -0.05 1.02 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.66 2ae8 h LEU 75 N 1.05 0.73 -0.86 1.46 3.38 -0.63 -2.22 115.31 118.23 2ae8 h LEU 75 Ca 0.21 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2ae8 h LEU 75 Cb 0.44 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2ae8 h LEU 75 CO 0.01 1.05 0.56 -0.07 0.09 0.00 0.00 178.44 180.08 2ae8 h LEU 76 N 0.56 0.95 -0.98 1.67 3.38 -0.70 -2.44 115.31 117.75 2ae8 h LEU 76 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2ae8 h LEU 76 Cb 0.94 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2ae8 h LEU 76 CO 0.09 0.68 0.31 0.25 0.09 0.00 0.00 178.44 179.85 2ae8 h LEU 77 N 1.12 0.95 -0.88 1.67 5.85 -1.10 0.11 115.31 123.03 2ae8 h LEU 77 Ca 0.33 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2ae8 h LEU 77 Cb -0.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.71 2ae8 h LEU 77 CO -0.09 0.83 0.00 -0.62 -0.34 0.00 0.00 178.44 178.22 2ae8 n GLU 78 N -4.31 0.00 0.00 1.25 1.02 -0.86 -1.10 120.64 116.64 2ae8 n GLU 78 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2ae8 n GLU 78 Cb 0.16 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 2ae8 n GLU 78 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2ae8 n ILE 80 N 0.36 0.00 0.15 -3.67 5.41 0.39 -2.30 119.36 119.70 2ae8 n ILE 80 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 2ae8 n ILE 80 Cb 0.00 0.00 0.43 0.00 -0.71 0.00 0.00 39.64 39.36 2ae8 n ILE 80 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2ae8 h LYS 81 N 0.00 0.18 0.03 0.38 1.57 -1.36 -2.69 116.57 114.67 2ae8 h LYS 81 Ca 0.00 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 2ae8 h LYS 81 Cb 0.00 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.30 2ae8 h LYS 81 CO 0.00 0.30 -1.09 -0.44 -0.57 0.00 0.00 179.45 177.66 2ae8 h ASP 82 N 0.17 0.85 -3.94 0.86 3.32 -1.72 -3.45 116.42 112.51 2ae8 h ASP 82 Ca 0.04 -0.71 -0.54 0.00 0.02 0.00 0.00 57.03 55.84 2ae8 h ASP 82 Cb 0.32 -0.26 0.10 0.00 0.22 0.00 0.00 39.33 39.70 2ae8 h ASP 82 CO 0.02 1.51 0.74 -0.54 -1.72 0.00 0.00 179.24 179.25 2ae8 s LYS 83 N -3.22 4.12 0.00 3.56 1.02 -1.02 -4.98 119.74 119.21 2ae8 s LYS 83 Ca -0.09 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.37 2ae8 s LYS 83 Cb 0.07 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2ae8 s LYS 83 CO 0.92 -0.49 0.00 1.63 -0.92 0.00 0.00 175.35 176.49 2ae8 n LYS 84 N 0.46 0.00 -3.38 1.68 4.01 -1.26 -4.95 118.16 114.72 2ae8 n LYS 84 Ca 0.01 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.44 2ae8 n LYS 84 Cb 0.40 -0.10 -0.06 0.00 -0.51 0.00 0.00 35.03 34.76 2ae8 n LYS 84 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2ae8 s HIS 85 N 0.00 3.55 0.11 2.13 3.76 -1.26 -5.04 115.29 118.54 2ae8 s HIS 85 Ca 0.00 0.88 -0.11 0.00 -0.15 0.00 0.00 55.06 55.68 2ae8 s HIS 85 Cb 0.00 -2.47 0.01 0.00 1.11 0.00 0.00 32.58 31.23 2ae8 s HIS 85 CO 0.00 0.28 0.27 -0.59 -0.85 0.00 0.00 174.74 173.84 2ae8 s PHE 86 N 0.24 0.08 0.38 1.40 -0.12 -1.26 -1.65 117.98 117.05 2ae8 s PHE 86 Ca 0.24 -0.47 0.05 0.00 -0.05 0.00 0.00 56.93 56.70 2ae8 s PHE 86 Cb -0.15 0.04 0.75 0.00 -0.63 0.00 0.00 43.02 43.03 2ae8 s PHE 86 CO 0.10 -0.62 2.02 0.28 -0.05 0.00 0.00 175.22 176.95 2ae8 h VAL 87 N 2.60 1.11 0.00 -2.49 2.07 -0.91 -3.44 116.25 115.19 2ae8 h VAL 87 Ca -0.34 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2ae8 h VAL 87 Cb 1.22 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2ae8 h VAL 87 CO 0.52 0.13 0.00 -1.14 0.02 0.00 0.00 177.57 177.10 2ae8 n ARG 88 N -4.46 0.00 -4.08 1.57 0.63 0.71 -4.91 116.66 106.12 2ae8 n ARG 88 Ca 0.06 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 2ae8 n ARG 88 Cb 0.09 -0.01 -0.09 0.00 0.45 0.00 0.00 32.46 32.90 2ae8 n ARG 88 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2ae8 s TYR 89 N 0.00 3.32 -0.08 -0.14 1.51 -1.26 -1.41 117.35 119.29 2ae8 s TYR 89 Ca 0.00 0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.21 2ae8 s TYR 89 Cb 0.00 -1.96 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 2ae8 s TYR 89 CO 0.00 0.40 0.21 0.20 -1.11 0.00 0.00 175.55 175.24 2ae8 s GLY 90 N -0.35 -0.15 0.33 0.71 0.00 -0.28 -4.14 107.32 103.45 2ae8 s GLY 90 Ca 0.09 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.42 2ae8 s GLY 90 CO 0.02 0.48 0.19 -1.59 0.00 0.00 0.00 173.10 172.20 2ae8 s THR 91 N 0.06 0.26 -0.09 0.90 2.01 -1.26 -0.00 115.64 117.51 2ae8 s THR 91 Ca -0.00 -2.00 -0.05 0.00 0.31 0.00 0.00 61.69 59.94 2ae8 s THR 91 Cb -0.02 -2.47 0.04 0.00 0.01 0.00 0.00 72.50 70.07 2ae8 s THR 91 CO 0.00 0.00 0.21 -0.31 -0.69 0.00 0.00 174.62 173.84 2ae8 s TYR 93 N -3.48 -0.27 -0.12 4.92 1.51 -1.26 -4.80 117.35 113.86 2ae8 s TYR 93 Ca 0.35 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 2ae8 s TYR 93 Cb 0.04 0.03 0.02 0.00 -0.11 0.00 0.00 41.96 41.93 2ae8 s TYR 93 CO 0.20 -0.19 -0.10 0.42 -1.11 0.00 0.00 175.55 174.77 2ae8 s ILE 94 N 0.97 1.20 0.00 2.71 -1.09 -0.37 -4.99 121.20 119.63 2ae8 s ILE 94 Ca -0.07 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 2ae8 s ILE 94 Cb -0.09 -1.17 0.00 0.00 -1.58 0.00 0.00 42.46 39.63 2ae8 s ILE 94 CO -0.06 0.39 0.00 -0.81 -1.23 0.00 0.00 174.94 173.23 2ae8 n PRO 95 N 4.73 1.15 0.00 2.79 -0.04 -1.26 -1.51 135.00 140.87 2ae8 n PRO 95 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2ae8 n PRO 95 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2ae8 n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ae8 n ASP 97 N -1.85 0.00 0.25 3.54 8.00 -1.26 -4.99 116.55 120.24 2ae8 n ASP 97 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 2ae8 n ASP 97 Cb 0.00 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 41.77 2ae8 n ASP 97 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2ae8 h GLU 98 N 0.00 0.00 -6.58 -1.24 9.09 -1.97 -3.44 114.58 110.44 2ae8 h GLU 98 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 2ae8 h GLU 98 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 2ae8 h GLU 98 CO 0.00 0.14 0.17 0.99 0.05 0.00 0.00 179.01 180.36 2ae8 s THR 99 N -4.08 4.44 -0.07 -1.06 2.01 -1.26 -4.37 115.64 111.25 2ae8 s THR 99 Ca -0.02 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.52 2ae8 s THR 99 Cb 0.12 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2ae8 s THR 99 CO 0.60 0.35 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.63 2ae8 s LEU 100 N -1.59 1.00 0.09 4.42 2.96 -0.44 -4.34 118.68 120.79 2ae8 s LEU 100 Ca 0.40 -0.14 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 2ae8 s LEU 100 Cb -0.20 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 2ae8 s LEU 100 CO 0.24 -0.12 -0.21 0.00 -1.32 0.00 0.00 176.35 174.93 2ae8 s ALA 101 N 1.49 2.52 -0.06 5.97 0.00 -0.57 0.03 121.76 131.14 2ae8 s ALA 101 Ca -0.02 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.67 2ae8 s ALA 101 Cb -0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2ae8 s ALA 101 CO -0.03 0.57 -0.21 0.50 0.00 0.00 0.00 175.76 176.58 2ae8 s ARG 102 N -1.80 2.31 -0.05 0.00 3.52 0.18 -1.24 118.95 121.87 2ae8 s ARG 102 Ca 0.15 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2ae8 s ARG 102 Cb -0.10 -1.92 0.01 0.00 -1.56 0.00 0.00 34.95 31.38 2ae8 s ARG 102 CO 0.07 0.27 -0.11 0.08 -0.81 0.00 0.00 175.30 174.80 2ae8 s VAL 103 N 0.06 1.01 -0.16 7.11 1.01 -1.26 -0.85 120.40 127.32 2ae8 s VAL 103 Ca -0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2ae8 s VAL 103 Cb -0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 2ae8 s VAL 103 CO 0.04 0.32 -0.14 -0.69 0.00 0.00 0.00 175.10 174.63 2ae8 s VAL 104 N 0.59 2.74 -0.09 2.92 1.01 -0.28 -4.29 120.40 123.01 2ae8 s VAL 104 Ca -0.12 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2ae8 s VAL 104 Cb -0.14 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2ae8 s VAL 104 CO 0.03 0.51 -0.24 -0.69 0.00 0.00 0.00 175.10 174.71 2ae8 s VAL 105 N 0.83 2.02 -0.20 2.92 1.01 0.99 -1.49 120.40 126.49 2ae8 s VAL 105 Ca -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2ae8 s VAL 105 Cb -0.15 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.53 2ae8 s VAL 105 CO -0.00 0.55 -0.14 -0.62 0.00 0.00 0.00 175.10 174.90 2ae8 s ASP 106 N 0.25 3.39 -1.18 3.32 2.15 0.96 -1.12 116.67 124.45 2ae8 s ASP 106 Ca -0.16 -0.85 -0.21 0.00 0.43 0.00 0.00 52.55 51.76 2ae8 s ASP 106 Cb -0.17 -1.34 -0.00 0.00 -0.30 0.00 0.00 42.92 41.10 2ae8 s ASP 106 CO 0.08 -0.10 1.79 -0.63 -0.17 0.00 0.00 175.17 176.14 2ae8 s ILE 107 N 1.33 3.81 -0.06 4.11 1.01 -0.50 -0.70 121.20 130.20 2ae8 s ILE 107 Ca 0.00 -1.22 0.14 0.00 0.00 0.00 0.00 60.65 59.57 2ae8 s ILE 107 Cb -0.15 -4.82 -0.22 0.00 0.01 0.00 0.00 42.46 37.28 2ae8 s ILE 107 CO -0.09 -1.52 0.25 -1.54 0.00 0.00 0.00 174.94 172.04 2ae8 n SER 108 N 11.28 1.55 0.00 3.58 3.41 -1.25 -4.95 113.62 127.24 2ae8 n SER 108 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2ae8 n SER 108 Cb 0.47 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 2ae8 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ae8 n GLY 109 N 1.79 1.19 3.27 5.00 0.00 -0.35 -5.02 105.19 111.06 2ae8 n GLY 109 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2ae8 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ae8 s ARG 110 N -0.17 2.63 -0.14 1.61 0.52 -1.22 -4.91 118.95 117.26 2ae8 s ARG 110 Ca 0.00 -1.55 -0.29 0.00 -0.52 0.00 0.00 55.73 53.37 2ae8 s ARG 110 Cb 0.00 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2ae8 s ARG 110 CO 0.00 -1.05 1.62 -2.14 0.02 0.00 0.00 175.30 173.75 2ae8 s PRO 111 N 1.44 3.98 -0.29 3.54 0.02 -1.26 -3.40 135.00 139.03 2ae8 s PRO 111 Ca 0.04 1.91 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 2ae8 s PRO 111 Cb -0.24 -4.00 0.10 0.00 0.02 0.00 0.00 34.50 30.37 2ae8 s PRO 111 CO 0.02 -1.07 0.68 -0.47 -0.33 0.00 0.00 177.00 175.83 2ae8 s TYR 112 N 4.64 -1.16 -0.14 6.54 6.14 -0.44 -4.97 117.35 127.96 2ae8 s TYR 112 Ca 0.72 2.18 0.02 0.00 0.64 0.00 0.00 57.07 60.63 2ae8 s TYR 112 Cb -0.29 0.69 0.01 0.00 0.42 0.00 0.00 41.96 42.80 2ae8 s TYR 112 CO 0.28 -0.58 -0.22 -1.17 0.64 0.00 0.00 175.55 174.51 2ae8 s LEU 113 N 2.12 2.12 -0.38 6.97 2.96 -1.26 -0.77 118.68 130.44 2ae8 s LEU 113 Ca -0.08 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.13 2ae8 s LEU 113 Cb -0.08 -1.45 0.04 0.00 0.50 0.00 0.00 46.19 45.21 2ae8 s LEU 113 CO -0.19 0.08 0.21 -0.55 -1.32 0.00 0.00 176.35 174.58 2ae8 s SER 114 N 0.80 5.67 -0.32 3.68 0.15 -0.08 -5.01 113.70 118.61 2ae8 s SER 114 Ca -0.07 -1.13 -0.05 0.00 0.70 0.00 0.00 55.95 55.39 2ae8 s SER 114 Cb -0.16 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 2ae8 s SER 114 CO -0.02 -0.42 0.07 0.12 1.20 0.00 0.00 173.24 174.20 2ae8 s PHE 115 N 1.51 3.22 -0.60 3.44 5.36 -1.26 -0.75 117.98 128.90 2ae8 s PHE 115 Ca 0.02 -1.40 0.04 0.00 -0.96 0.00 0.00 56.93 54.63 2ae8 s PHE 115 Cb -0.20 -2.23 0.17 0.00 -0.34 0.00 0.00 43.02 40.42 2ae8 s PHE 115 CO 0.05 -0.71 0.43 -0.80 -1.46 0.00 0.00 175.22 172.73 2ae8 s ASN 116 N 1.40 3.76 -0.28 6.13 0.01 0.13 -4.99 114.94 121.10 2ae8 s ASN 116 Ca -0.01 -3.54 -0.03 0.00 -0.71 0.00 0.00 52.86 48.57 2ae8 s ASN 116 Cb -0.19 -1.25 0.16 0.00 0.41 0.00 0.00 41.25 40.38 2ae8 s ASN 116 CO 0.02 -0.12 0.53 0.00 -1.51 0.00 0.00 177.10 176.01 2ae8 s ALA 117 N -0.88 -1.81 -0.51 0.60 0.00 -1.26 -1.37 121.76 116.52 2ae8 s ALA 117 Ca 0.27 1.59 -0.19 0.00 0.00 0.00 0.00 51.96 53.63 2ae8 s ALA 117 Cb -0.04 -1.92 0.06 0.00 0.00 0.00 0.00 23.12 21.22 2ae8 s ALA 117 CO -0.16 -1.23 0.62 -1.12 0.00 0.00 0.00 175.76 173.87 2ae8 s SER 118 N 2.75 6.22 0.36 0.00 0.01 -1.26 -5.01 113.70 116.77 2ae8 s SER 118 Ca 0.14 -0.98 -0.25 0.00 1.31 0.00 0.00 55.95 56.18 2ae8 s SER 118 Cb -0.15 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 2ae8 s SER 118 CO -0.19 -0.90 0.98 -0.76 0.41 0.00 0.00 173.24 172.78 2ae8 s LEU 119 N 2.59 4.22 0.37 2.44 1.43 -1.26 -4.96 118.68 123.51 2ae8 s LEU 119 Ca 0.14 1.88 0.19 0.00 -1.03 0.00 0.00 54.13 55.32 2ae8 s LEU 119 Cb -0.20 -4.14 0.55 0.00 0.03 0.00 0.00 46.19 42.43 2ae8 s LEU 119 CO 0.11 -0.24 1.67 0.28 0.23 0.00 0.00 176.35 178.39 2ae8 h SER 120 N 2.78 0.00 -4.51 2.29 0.02 -1.92 -3.45 113.55 108.76 2ae8 h SER 120 Ca -0.48 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.20 2ae8 h SER 120 Cb 1.20 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.57 2ae8 h SER 120 CO 0.64 0.35 -0.72 -0.54 -1.14 0.00 0.00 176.83 175.42 2ae8 s LYS 121 N -3.39 0.80 0.34 3.45 -0.14 -1.26 -5.01 119.74 114.53 2ae8 s LYS 121 Ca 0.02 -1.17 0.18 0.00 -1.36 0.00 0.00 55.97 53.64 2ae8 s LYS 121 Cb 0.09 -0.37 0.47 0.00 -1.68 0.00 0.00 37.83 36.34 2ae8 s LYS 121 CO 0.69 0.04 1.63 0.93 -0.76 0.00 0.00 175.35 177.88 2ae8 h GLU 122 N 3.46 0.00 -4.44 1.68 5.08 -1.96 -3.44 114.58 114.96 2ae8 h GLU 122 Ca -0.36 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.71 2ae8 h GLU 122 Cb 1.18 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.19 2ae8 h GLU 122 CO 0.56 0.41 -0.74 0.15 -1.00 0.00 0.00 179.01 178.39 2ae8 s LYS 123 N -3.35 0.47 -0.27 2.33 -0.14 -1.26 -1.51 119.74 116.01 2ae8 s LYS 123 Ca 0.02 -0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 54.08 2ae8 s LYS 123 Cb 0.09 -0.32 0.03 0.00 -1.68 0.00 0.00 37.83 35.96 2ae8 s LYS 123 CO 0.70 0.07 -0.04 0.14 -0.76 0.00 0.00 175.35 175.46 2ae8 s VAL 124 N -0.91 2.91 0.00 3.17 -7.23 -0.59 -4.92 120.40 112.83 2ae8 s VAL 124 Ca -0.06 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2ae8 s VAL 124 Cb -0.07 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2ae8 s VAL 124 CO 0.00 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 2ae8 n GLY 125 N 4.65 3.93 0.38 2.32 0.00 -1.26 -1.17 105.19 114.04 2ae8 n GLY 125 Ca -0.15 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2ae8 n GLY 125 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ae8 n THR 126 N 0.00 0.00 -2.81 2.61 -2.24 -1.26 -4.94 114.28 105.63 2ae8 n THR 126 Ca 0.00 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 2ae8 n THR 126 Cb 0.00 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 2ae8 n THR 126 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2ae8 s PHE 127 N -2.49 3.40 -0.15 4.78 5.36 -0.31 -5.00 117.98 123.56 2ae8 s PHE 127 Ca 0.21 1.33 -0.29 0.00 -0.96 0.00 0.00 56.93 57.21 2ae8 s PHE 127 Cb 0.19 -3.10 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 2ae8 s PHE 127 CO 0.55 -0.32 1.56 -0.51 -1.46 0.00 0.00 175.22 175.05 2ae8 s ASP 128 N 1.19 6.59 0.52 6.13 -0.00 -1.26 -1.54 116.67 128.31 2ae8 s ASP 128 Ca 0.40 1.86 0.25 0.00 -0.00 0.00 0.00 52.55 55.06 2ae8 s ASP 128 Cb -0.16 -2.53 1.45 0.00 -0.00 0.00 0.00 42.92 41.67 2ae8 s ASP 128 CO 0.11 -1.04 2.11 0.74 -0.00 0.00 0.00 175.17 177.08 2ae8 h THR 129 N 5.81 0.69 0.00 -1.27 2.02 -1.55 -0.90 112.91 117.71 2ae8 h THR 129 Ca -0.34 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2ae8 h THR 129 Cb 1.15 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2ae8 h THR 129 CO 0.98 0.10 0.00 1.05 0.37 0.00 0.00 175.52 178.01 2ae8 h GLU 130 N 0.00 0.00 0.00 6.66 4.11 -1.91 -2.32 114.58 121.13 2ae8 h GLU 130 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2ae8 h GLU 130 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2ae8 h GLU 130 CO 0.01 0.00 -0.15 -0.07 0.07 0.00 0.00 179.01 178.87 2ae8 h LEU 131 N 0.00 0.00 0.35 3.06 3.38 -1.56 -3.24 115.31 117.31 2ae8 h LEU 131 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ae8 h LEU 131 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2ae8 h LEU 131 CO 0.00 0.15 -0.18 0.58 0.09 0.00 0.00 178.44 179.08 2ae8 h VAL 132 N 0.00 0.64 -0.87 1.22 2.07 -1.61 -0.35 116.25 117.34 2ae8 h VAL 132 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2ae8 h VAL 132 Cb 0.49 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2ae8 h VAL 132 CO 0.02 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 178.10 2ae8 h GLU 133 N -0.49 1.01 -0.76 1.57 4.81 -1.77 -2.08 114.58 116.87 2ae8 h GLU 133 Ca -0.05 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2ae8 h GLU 133 Cb 0.38 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2ae8 h GLU 133 CO 0.07 0.67 0.25 0.93 -0.73 0.00 0.00 179.01 180.21 2ae8 h GLU 134 N 1.04 1.18 0.04 1.92 4.39 -1.48 -0.37 114.58 121.30 2ae8 h GLU 134 Ca 0.36 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2ae8 h GLU 134 Cb 0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2ae8 h GLU 134 CO -0.12 0.99 -0.02 0.35 -1.16 0.00 0.00 179.01 179.05 2ae8 h PHE 135 N 1.13 -0.05 -0.59 4.33 3.57 -0.66 -2.30 116.94 122.37 2ae8 h PHE 135 Ca 0.25 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2ae8 h PHE 135 Cb 0.29 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2ae8 h PHE 135 CO 0.02 0.08 0.08 0.74 -2.23 0.00 0.00 178.31 177.01 2ae8 h PHE 136 N -0.16 1.02 -0.55 0.41 0.04 -1.18 -1.83 116.94 114.70 2ae8 h PHE 136 Ca -0.01 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.68 2ae8 h PHE 136 Cb 0.15 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 2ae8 h PHE 136 CO -0.04 0.88 0.29 -0.09 -0.60 0.00 0.00 178.31 178.75 2ae8 h ARG 137 N 0.91 0.54 -0.24 1.51 2.43 -1.06 -1.23 114.38 117.24 2ae8 h ARG 137 Ca 0.18 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2ae8 h ARG 137 Cb 0.42 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2ae8 h ARG 137 CO 0.01 0.36 0.12 0.00 -1.51 0.00 0.00 179.97 178.95 2ae8 h ALA 138 N 1.29 0.30 0.27 2.80 0.00 -0.94 -1.97 119.26 121.02 2ae8 h ALA 138 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2ae8 h ALA 138 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ae8 h ALA 138 CO -0.16 -0.15 -0.13 0.28 0.00 0.00 0.00 179.25 179.10 2ae8 h VAL 139 N 0.26 0.76 -0.32 0.00 2.07 -1.22 -2.75 116.25 115.05 2ae8 h VAL 139 Ca 0.08 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2ae8 h VAL 139 Cb 0.10 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2ae8 h VAL 139 CO -0.01 0.12 0.16 0.58 0.02 0.00 0.00 177.57 178.44 2ae8 h VAL 140 N -0.71 1.15 -0.54 2.57 2.07 -1.27 0.12 116.25 119.64 2ae8 h VAL 140 Ca -0.04 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.95 2ae8 h VAL 140 Cb 0.48 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2ae8 h VAL 140 CO 0.06 0.15 -0.11 0.40 0.02 0.00 0.00 177.57 178.10 2ae8 h ILE 141 N 0.38 1.27 0.00 4.57 1.08 -1.45 -1.78 117.51 121.58 2ae8 h ILE 141 Ca 0.11 -1.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.24 2ae8 h ILE 141 Cb 0.10 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 2ae8 h ILE 141 CO -0.01 0.45 -0.37 0.78 -0.69 0.00 0.00 178.15 178.31 2ae8 h ASN 142 N 0.91 0.00 0.47 1.72 2.35 -1.30 -2.95 115.58 116.78 2ae8 h ASN 142 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2ae8 h ASN 142 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2ae8 h ASN 142 CO 0.05 0.37 -0.20 0.00 -1.65 0.00 0.00 177.43 175.99 2ae8 n ALA 143 N -2.20 2.92 -3.51 -0.83 0.00 0.01 -4.09 120.51 112.81 2ae8 n ALA 143 Ca 0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 2ae8 n ALA 143 Cb 0.67 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.93 2ae8 n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ae8 n ARG 144 N -1.10 -7.04 -3.96 0.00 1.74 -0.93 -4.51 116.66 100.86 2ae8 n ARG 144 Ca 0.11 0.83 -0.29 0.00 -0.77 0.00 0.00 57.85 57.73 2ae8 n ARG 144 Cb 0.31 -5.84 -0.04 0.00 -1.02 0.00 0.00 32.46 25.87 2ae8 n ARG 144 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ae8 s LEU 145 N -6.74 4.25 -0.30 0.55 1.43 -0.71 -1.21 118.68 115.94 2ae8 s LEU 145 Ca 0.23 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 2ae8 s LEU 145 Cb -0.10 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2ae8 s LEU 145 CO 0.74 0.12 0.20 -0.89 0.23 0.00 0.00 176.35 176.75 2ae8 s THR 146 N -1.60 5.23 -0.01 5.49 2.01 0.12 -1.33 115.64 125.56 2ae8 s THR 146 Ca 0.34 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.35 2ae8 s THR 146 Cb -0.12 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 2ae8 s THR 146 CO 0.27 0.15 -0.07 0.28 -0.69 0.00 0.00 174.62 174.55 2ae8 s THR 147 N 1.73 0.61 -0.19 -0.82 -1.32 0.05 -0.03 115.64 115.68 2ae8 s THR 147 Ca 0.07 -0.31 -0.02 0.00 -1.21 0.00 0.00 61.69 60.22 2ae8 s THR 147 Cb -0.17 -0.53 -0.00 0.00 -1.51 0.00 0.00 72.50 70.29 2ae8 s THR 147 CO 0.10 0.18 -0.09 -1.00 -2.21 0.00 0.00 174.62 171.60 2ae8 s HIS 148 N -0.03 2.89 -0.15 9.09 3.76 -0.55 -0.90 115.29 129.39 2ae8 s HIS 148 Ca 0.01 -1.01 -0.03 0.00 -0.15 0.00 0.00 55.06 53.88 2ae8 s HIS 148 Cb -0.05 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 2ae8 s HIS 148 CO -0.00 -0.53 -0.06 0.42 -0.85 0.00 0.00 174.74 173.72 2ae8 s ILE 149 N 1.20 3.64 -0.09 0.60 1.01 0.07 -1.13 121.20 126.51 2ae8 s ILE 149 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2ae8 s ILE 149 Cb -0.14 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.77 2ae8 s ILE 149 CO -0.03 0.49 -0.00 -1.81 0.00 0.00 0.00 174.94 173.59 2ae8 s ASP 150 N 0.46 1.78 -0.50 3.58 1.01 -0.03 -0.69 116.67 122.27 2ae8 s ASP 150 Ca -0.05 -0.18 -0.27 0.00 0.71 0.00 0.00 52.55 52.76 2ae8 s ASP 150 Cb -0.15 -0.50 0.03 0.00 1.01 0.00 0.00 42.92 43.32 2ae8 s ASP 150 CO 0.03 -0.20 1.02 -0.76 0.21 0.00 0.00 175.17 175.48 2ae8 s LEU 151 N 1.93 3.84 0.03 1.23 1.43 -0.47 -0.64 118.68 126.03 2ae8 s LEU 151 Ca 0.04 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 2ae8 s LEU 151 Cb -0.13 -3.21 -0.21 0.00 0.03 0.00 0.00 46.19 42.67 2ae8 s LEU 151 CO -0.06 -1.20 1.16 0.40 0.23 0.00 0.00 176.35 176.88 2ae8 h ILE 152 N 6.12 1.38 -3.50 -0.59 2.04 -0.73 -3.46 117.51 118.76 2ae8 h ILE 152 Ca -0.24 -2.02 -0.09 0.00 1.00 0.00 0.00 64.86 63.50 2ae8 h ILE 152 Cb 1.07 2.41 -0.16 0.00 -0.74 0.00 0.00 36.82 39.39 2ae8 h ILE 152 CO 1.09 0.60 -0.31 0.00 0.00 0.00 0.00 178.15 179.53 2ae8 s ARG 153 N -3.40 0.80 0.00 2.37 1.70 -1.10 -4.95 118.95 114.36 2ae8 s ARG 153 Ca -0.12 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 2ae8 s ARG 153 Cb 0.05 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2ae8 s ARG 153 CO 0.84 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 175.22 2ae8 n GLY 154 N 0.42 5.11 0.00 3.88 0.00 -1.26 -1.32 105.19 112.01 2ae8 n GLY 154 Ca -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2ae8 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ae8 n GLY 155 N 0.00 0.63 3.50 -0.02 0.00 -1.26 -4.57 105.19 103.47 2ae8 n GLY 155 Ca 0.00 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2ae8 n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ae8 s ASN 156 N 0.00 4.96 0.20 1.61 3.84 -1.26 -4.84 114.94 119.45 2ae8 s ASN 156 Ca 0.00 -0.13 -0.06 0.00 0.21 0.00 0.00 52.86 52.88 2ae8 s ASN 156 Cb 0.00 -1.83 0.15 0.00 -0.55 0.00 0.00 41.25 39.01 2ae8 s ASN 156 CO 0.00 0.12 1.63 0.74 -2.79 0.00 0.00 177.10 176.80 2ae8 h THR 157 N 5.21 1.27 -0.52 -5.21 2.02 -1.96 -0.91 112.91 112.81 2ae8 h THR 157 Ca -0.34 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 2ae8 h THR 157 Cb 1.18 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 2ae8 h THR 157 CO 0.63 0.44 0.28 -0.74 0.37 0.00 0.00 175.52 176.50 2ae8 h HIS 158 N 0.78 0.71 -0.55 3.16 6.17 -1.95 -2.08 115.15 121.38 2ae8 h HIS 158 Ca 0.12 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.17 2ae8 h HIS 158 Cb 0.68 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 30.36 2ae8 h HIS 158 CO 0.04 0.52 0.32 0.45 0.71 0.00 0.00 177.93 179.97 2ae8 h HIS 159 N 0.69 0.74 -0.12 5.26 3.86 -1.86 -0.85 115.15 122.87 2ae8 h HIS 159 Ca 0.18 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2ae8 h HIS 159 Cb 0.05 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 2ae8 h HIS 159 CO -0.02 0.53 -0.13 0.93 0.86 0.00 0.00 177.93 180.11 2ae8 h GLU 160 N 0.74 -0.15 -0.22 2.45 5.08 -0.90 0.12 114.58 121.71 2ae8 h GLU 160 Ca 0.20 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2ae8 h GLU 160 Cb 0.02 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ae8 h GLU 160 CO -0.03 -0.10 -0.14 0.82 -1.00 0.00 0.00 179.01 178.55 2ae8 h ILE 161 N -0.15 1.31 -0.26 3.13 2.04 -1.29 -2.01 117.51 120.28 2ae8 h ILE 161 Ca 0.09 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.72 2ae8 h ILE 161 Cb 0.28 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2ae8 h ILE 161 CO -0.21 0.38 0.09 -0.08 0.00 0.00 0.00 178.15 178.33 2ae8 h GLU 162 N 0.19 0.21 -0.72 2.37 4.81 -1.09 0.24 114.58 120.59 2ae8 h GLU 162 Ca 0.04 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2ae8 h GLU 162 Cb 0.66 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2ae8 h GLU 162 CO 0.04 0.14 0.45 0.00 -0.73 0.00 0.00 179.01 178.91 2ae8 h ALA 163 N 1.16 0.94 -0.35 2.92 0.00 -0.71 -0.82 119.26 122.40 2ae8 h ALA 163 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ae8 h ALA 163 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ae8 h ALA 163 CO -0.12 0.24 0.21 0.82 0.00 0.00 0.00 179.25 180.40 2ae8 h ILE 164 N 0.89 1.12 -0.51 0.00 2.04 -0.99 -0.53 117.51 119.53 2ae8 h ILE 164 Ca 0.29 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2ae8 h ILE 164 Cb 0.01 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2ae8 h ILE 164 CO -0.11 0.12 0.14 -0.26 0.00 0.00 0.00 178.15 178.04 2ae8 h PHE 165 N 0.45 0.84 -0.26 1.37 0.04 -0.65 -0.24 116.94 118.50 2ae8 h PHE 165 Ca 0.12 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2ae8 h PHE 165 Cb 0.01 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 2ae8 h PHE 165 CO -0.04 0.74 0.13 0.87 -0.60 0.00 0.00 178.31 179.41 2ae8 h LYS 166 N 0.70 0.37 -0.16 1.51 1.57 -1.09 -1.72 116.57 117.76 2ae8 h LYS 166 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2ae8 h LYS 166 Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2ae8 h LYS 166 CO -0.00 0.36 0.08 0.00 -0.57 0.00 0.00 179.45 179.32 2ae8 h ALA 167 N 0.99 0.21 -0.48 3.86 0.00 -1.02 -1.31 119.26 121.50 2ae8 h ALA 167 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ae8 h ALA 167 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2ae8 h ALA 167 CO -0.01 -0.24 0.30 0.35 0.00 0.00 0.00 179.25 179.65 2ae8 h PHE 168 N 0.14 0.57 -0.50 0.00 3.57 -1.02 -0.92 116.94 118.78 2ae8 h PHE 168 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2ae8 h PHE 168 Cb 0.10 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2ae8 h PHE 168 CO -0.03 0.34 0.16 0.77 -2.23 0.00 0.00 178.31 177.32 2ae8 h SER 169 N 0.61 0.72 -0.24 0.41 0.02 -1.17 0.85 113.55 114.74 2ae8 h SER 169 Ca 0.19 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2ae8 h SER 169 Cb -0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2ae8 h SER 169 CO -0.07 0.73 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.21 2ae8 h ARG 170 N 0.67 0.46 -0.86 3.45 2.43 -1.17 -0.92 114.38 118.43 2ae8 h ARG 170 Ca 0.16 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2ae8 h ARG 170 Cb 0.26 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 2ae8 h ARG 170 CO -0.01 0.68 0.50 0.00 -1.51 0.00 0.00 179.97 179.63 2ae8 h ALA 171 N 0.77 1.25 -0.30 2.80 0.00 -0.95 -0.22 119.26 122.60 2ae8 h ALA 171 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ae8 h ALA 171 Cb 0.50 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ae8 h ALA 171 CO 0.02 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.22 2ae8 h LEU 172 N 1.20 0.46 -0.49 0.00 5.85 -0.69 -1.77 115.31 119.87 2ae8 h LEU 172 Ca 0.31 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ae8 h LEU 172 Cb -0.02 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2ae8 h LEU 172 CO -0.05 0.58 0.16 1.23 -0.34 0.00 0.00 178.44 180.02 2ae8 h GLY 173 N 0.33 0.64 0.74 3.75 0.00 -0.74 -0.34 103.07 107.44 2ae8 h GLY 173 Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.37 2ae8 h GLY 173 CO 0.00 -0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.29 2ae8 h ILE 174 N 0.33 0.87 -0.25 2.60 2.04 -1.02 -2.99 117.51 119.10 2ae8 h ILE 174 Ca 0.24 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 2ae8 h ILE 174 Cb 0.26 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2ae8 h ILE 174 CO -0.25 0.00 0.05 0.00 0.00 0.00 0.00 178.15 177.95 2ae8 h ALA 175 N 1.13 1.63 0.00 1.87 0.00 -0.59 -2.82 119.26 120.47 2ae8 h ALA 175 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ae8 h ALA 175 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ae8 h ALA 175 CO -0.14 0.28 -0.13 1.28 0.00 0.00 0.00 179.25 180.55 2ae8 n LEU 176 N -4.39 0.28 -4.68 0.00 4.77 -0.21 -0.21 117.00 112.57 2ae8 n LEU 176 Ca 0.01 0.41 -0.45 0.00 -0.03 0.00 0.00 56.01 55.95 2ae8 n LEU 176 Cb 0.16 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2ae8 n LEU 176 CO 0.37 -0.02 1.46 0.41 -1.33 0.00 0.00 177.39 178.28 2ae8 n THR 177 N -1.68 0.45 -1.83 -5.08 -1.04 -1.07 -4.73 114.28 99.31 2ae8 n THR 177 Ca 0.06 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 2ae8 n THR 177 Cb 0.36 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 2ae8 n THR 177 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ae8 s ALA 178 N 3.18 3.51 -2.88 2.41 0.00 -1.26 -0.91 121.76 125.82 2ae8 s ALA 178 Ca 0.86 1.53 0.23 0.00 0.00 0.00 0.00 51.96 54.58 2ae8 s ALA 178 Cb -0.58 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.13 2ae8 s ALA 178 CO 0.43 -1.04 1.23 2.41 0.00 0.00 0.00 175.76 178.78