#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqm s SER 2 N 0.00 0.04 0.09 1.62 1.04 -1.26 -2.51 113.70 112.72 2aqm s SER 2 Ca 0.00 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.51 2aqm s SER 2 Cb 0.00 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2aqm s SER 2 CO 0.00 -0.85 0.36 0.28 0.98 0.00 0.00 173.24 174.02 2aqm s THR 3 N -3.92 0.08 -0.12 2.02 -1.32 -0.48 -4.99 115.64 106.90 2aqm s THR 3 Ca 0.12 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 59.98 2aqm s THR 3 Cb 0.04 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 2aqm s THR 3 CO -0.04 -0.35 -0.16 -0.89 -2.21 0.00 0.00 174.62 170.97 2aqm s THR 4 N -3.27 2.75 -0.20 5.08 2.01 -1.26 -0.58 115.64 120.17 2aqm s THR 4 Ca -0.00 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 2aqm s THR 4 Cb 0.01 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2aqm s THR 4 CO -0.08 0.53 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.66 2aqm s VAL 5 N 0.40 3.62 -0.02 3.82 1.01 0.46 -4.96 120.40 124.74 2aqm s VAL 5 Ca -0.12 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 2aqm s VAL 5 Cb -0.16 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2aqm s VAL 5 CO 0.06 0.44 0.87 -0.54 0.00 0.00 0.00 175.10 175.93 2aqm s LYS 6 N 1.07 4.52 -0.15 2.72 1.02 -1.26 -1.13 119.74 126.52 2aqm s LYS 6 Ca 0.01 1.21 -0.05 0.00 0.02 0.00 0.00 55.97 57.17 2aqm s LYS 6 Cb -0.15 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2aqm s LYS 6 CO 0.00 0.02 -0.00 -1.64 -0.92 0.00 0.00 175.35 172.81 2aqm s MET 7 N 0.83 3.68 0.02 1.68 -1.94 0.08 -4.27 119.30 119.38 2aqm s MET 7 Ca 0.46 -0.45 0.08 0.00 -1.71 0.00 0.00 55.69 54.08 2aqm s MET 7 Cb -0.20 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.62 2aqm s MET 7 CO 0.24 0.31 -0.25 0.71 -0.01 0.00 0.00 175.02 176.03 2aqm s TYR 8 N 0.20 2.21 0.28 -0.03 2.02 -0.63 -0.69 117.35 120.71 2aqm s TYR 8 Ca 0.00 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 2aqm s TYR 8 Cb -0.13 -1.36 -0.12 0.00 -0.40 0.00 0.00 41.96 39.95 2aqm s TYR 8 CO 0.02 0.06 1.54 -1.91 -1.57 0.00 0.00 175.55 173.70 2aqm n GLU 9 N 2.03 2.52 -3.11 -0.62 2.13 -0.07 -1.58 120.64 121.94 2aqm n GLU 9 Ca -0.17 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.13 2aqm n GLU 9 Cb 0.52 -2.64 -0.07 0.00 0.27 0.00 0.00 31.44 29.52 2aqm n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aqm s ALA 10 N -0.02 3.47 0.39 4.31 0.00 0.20 -0.03 121.76 130.09 2aqm s ALA 10 Ca 0.65 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.87 2aqm s ALA 10 Cb -0.54 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2aqm s ALA 10 CO 0.49 -1.29 0.15 -0.51 0.00 0.00 0.00 175.76 174.60 2aqm s LEU 11 N 2.69 3.12 0.59 0.00 1.43 -0.42 -4.82 118.68 121.26 2aqm s LEU 11 Ca 0.24 -1.03 0.28 0.00 -1.03 0.00 0.00 54.13 52.60 2aqm s LEU 11 Cb -0.15 -1.47 1.63 0.00 0.03 0.00 0.00 46.19 46.24 2aqm s LEU 11 CO 0.14 -0.47 2.09 -0.65 0.23 0.00 0.00 176.35 177.69 2aqm h PRO 12 N 1.49 0.00 -0.47 1.29 0.11 -1.95 -0.88 132.00 131.59 2aqm h PRO 12 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2aqm h PRO 12 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2aqm h PRO 12 CO 0.69 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 2aqm n THR 13 N -3.83 0.62 -1.03 -1.15 -2.24 -1.26 -4.90 114.28 100.50 2aqm n THR 13 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2aqm n THR 13 Cb 0.35 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 2aqm n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqm n GLY 14 N 1.35 -0.83 3.72 3.38 0.00 -0.34 -4.95 105.19 107.53 2aqm n GLY 14 Ca 0.18 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2aqm n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2aqm s PRO 15 N 0.00 4.24 0.00 1.61 0.02 -1.26 -1.30 135.00 138.30 2aqm s PRO 15 Ca 0.00 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2aqm s PRO 15 Cb 0.00 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2aqm s PRO 15 CO 0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 2aqm n GLY 16 N 3.58 2.34 3.75 0.52 0.00 0.96 -4.93 105.19 111.41 2aqm n GLY 16 Ca 0.13 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 2aqm n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqm s LYS 17 N 4.64 3.02 0.01 1.61 -2.85 -1.26 -4.46 119.74 120.44 2aqm s LYS 17 Ca 0.00 2.09 -0.30 0.00 -1.00 0.00 0.00 55.97 56.76 2aqm s LYS 17 Cb 0.00 -2.12 -0.06 0.00 -2.06 0.00 0.00 37.83 33.59 2aqm s LYS 17 CO 0.00 -1.24 1.50 -2.00 0.10 0.00 0.00 175.35 173.71 2aqm s GLU 18 N -3.07 4.24 0.00 1.78 2.12 -1.26 -0.89 118.70 121.62 2aqm s GLU 18 Ca 0.75 2.09 0.09 0.00 0.36 0.00 0.00 54.97 58.26 2aqm s GLU 18 Cb -0.37 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.39 2aqm s GLU 18 CO 0.42 -0.66 0.65 1.33 -0.54 0.00 0.00 175.26 176.46 2aqm n VAL 19 N 4.81 0.00 -3.46 3.70 0.24 0.13 -4.93 118.33 118.82 2aqm n VAL 19 Ca 0.14 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2aqm n VAL 19 Cb 0.43 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 2aqm n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqm n GLY 20 N 0.80 -0.51 3.08 7.63 0.00 -1.17 -1.11 105.19 113.91 2aqm n GLY 20 Ca 0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 2aqm n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aqm s THR 21 N -2.96 0.36 -0.09 2.61 -4.23 -0.17 -0.74 115.64 110.42 2aqm s THR 21 Ca 0.00 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2aqm s THR 21 Cb 0.00 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2aqm s THR 21 CO 0.00 -0.75 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.54 2aqm s VAL 22 N -2.87 1.06 -0.26 2.29 1.01 -0.28 -1.45 120.40 119.90 2aqm s VAL 22 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 2aqm s VAL 22 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2aqm s VAL 22 CO -0.05 0.36 0.25 -0.69 0.00 0.00 0.00 175.10 174.96 2aqm s VAL 23 N 1.13 5.28 -0.22 2.92 1.01 -0.10 -0.40 120.40 130.01 2aqm s VAL 23 Ca -0.06 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 2aqm s VAL 23 Cb -0.14 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2aqm s VAL 23 CO -0.02 0.25 0.12 -0.63 0.00 0.00 0.00 175.10 174.83 2aqm s ILE 24 N 1.63 5.17 0.01 2.22 1.01 0.25 -0.43 121.20 131.06 2aqm s ILE 24 Ca 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 2aqm s ILE 24 Cb -0.15 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2aqm s ILE 24 CO 0.09 0.39 0.07 -0.55 0.00 0.00 0.00 174.94 174.94 2aqm s SER 25 N 0.79 0.12 0.28 3.58 0.15 -0.21 -1.38 113.70 117.02 2aqm s SER 25 Ca 0.06 -0.36 -0.28 0.00 0.70 0.00 0.00 55.95 56.07 2aqm s SER 25 Cb -0.13 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.26 2aqm s SER 25 CO 0.02 -0.37 0.94 -1.61 1.20 0.00 0.00 173.24 173.43 2aqm s GLU 26 N -1.61 4.73 0.12 5.44 2.02 -1.04 -0.78 118.70 127.58 2aqm s GLU 26 Ca -0.14 1.42 -0.18 0.00 0.02 0.00 0.00 54.97 56.10 2aqm s GLU 26 Cb -0.07 -3.07 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2aqm s GLU 26 CO -0.00 0.41 0.44 0.00 0.02 0.00 0.00 175.26 176.13 2aqm s ALA 27 N -1.37 -1.08 0.28 5.21 0.00 -1.25 -4.87 121.76 118.68 2aqm s ALA 27 Ca 0.45 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2aqm s ALA 27 Cb -0.23 0.67 0.54 0.00 0.00 0.00 0.00 23.12 24.09 2aqm s ALA 27 CO 0.28 -0.63 1.85 -1.35 0.00 0.00 0.00 175.76 175.91 2aqm h PRO 28 N 2.40 0.99 -0.63 0.00 0.11 -1.98 -2.36 132.00 130.54 2aqm h PRO 28 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2aqm h PRO 28 Cb 1.26 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2aqm h PRO 28 CO 0.45 0.66 0.00 0.41 -0.21 0.00 0.00 178.00 179.30 2aqm n GLY 29 N -1.35 1.59 0.00 -0.55 0.00 -1.26 -5.01 105.19 98.60 2aqm n GLY 29 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2aqm n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqm n GLY 30 N 0.59 2.04 3.76 -0.02 0.00 -0.89 -4.06 105.19 106.60 2aqm n GLY 30 Ca 0.12 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 2aqm n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqm s LEU 31 N 0.00 4.35 -0.11 0.99 1.43 -0.32 -3.76 118.68 121.26 2aqm s LEU 31 Ca 0.00 2.91 -0.08 0.00 -1.03 0.00 0.00 54.13 55.93 2aqm s LEU 31 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2aqm s LEU 31 CO 0.00 -0.85 0.16 -1.00 0.23 0.00 0.00 176.35 174.89 2aqm s HIS 32 N -0.28 3.60 -0.29 0.29 3.76 0.04 -1.23 115.29 121.18 2aqm s HIS 32 Ca 0.60 0.56 0.02 0.00 -0.15 0.00 0.00 55.06 56.09 2aqm s HIS 32 Cb -0.46 -1.98 0.08 0.00 1.11 0.00 0.00 32.58 31.33 2aqm s HIS 32 CO 0.50 0.71 -0.00 -0.06 -0.85 0.00 0.00 174.74 175.05 2aqm s PHE 33 N -0.98 3.04 -0.44 1.40 0.40 0.02 -1.05 117.98 120.37 2aqm s PHE 33 Ca 0.16 -2.39 -0.20 0.00 -0.60 0.00 0.00 56.93 53.89 2aqm s PHE 33 Cb -0.12 -2.23 0.03 0.00 0.51 0.00 0.00 43.02 41.20 2aqm s PHE 33 CO 0.05 -0.88 0.62 0.21 0.70 0.00 0.00 175.22 175.91 2aqm s LYS 34 N 1.16 3.24 -0.18 0.44 2.20 0.42 -1.23 119.74 125.80 2aqm s LYS 34 Ca 0.03 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 2aqm s LYS 34 Cb -0.19 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 2aqm s LYS 34 CO -0.09 -1.02 0.01 0.08 -0.36 0.00 0.00 175.35 173.97 2aqm s VAL 35 N 2.72 4.22 -0.26 4.02 1.01 0.61 -0.93 120.40 131.79 2aqm s VAL 35 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2aqm s VAL 35 Cb -0.15 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.42 2aqm s VAL 35 CO 0.18 0.46 0.02 0.20 0.00 0.00 0.00 175.10 175.95 2aqm s ASN 36 N 0.60 3.85 0.03 3.32 -0.87 -0.53 -1.89 114.94 119.46 2aqm s ASN 36 Ca 0.00 -1.37 0.00 0.00 -1.57 0.00 0.00 52.86 49.92 2aqm s ASN 36 Cb -0.14 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.25 40.03 2aqm s ASN 36 CO 0.02 -0.32 -0.04 -0.32 -2.57 0.00 0.00 177.10 173.87 2aqm s MET 37 N 1.48 0.44 0.29 -0.60 1.75 -0.45 -0.99 119.30 121.22 2aqm s MET 37 Ca 0.02 -0.79 0.02 0.00 -1.25 0.00 0.00 55.69 53.69 2aqm s MET 37 Cb -0.18 0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 2aqm s MET 37 CO -0.12 -0.04 0.09 -1.83 -0.65 0.00 0.00 175.02 172.47 2aqm s GLU 38 N -2.06 1.54 -0.91 4.11 -1.05 -0.27 -0.66 118.70 119.40 2aqm s GLU 38 Ca -0.09 -1.85 0.00 0.00 -0.15 0.00 0.00 54.97 52.87 2aqm s GLU 38 Cb -0.06 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.17 2aqm s GLU 38 CO -0.03 -0.29 0.00 1.63 0.95 0.00 0.00 175.26 177.53 2aqm n LYS 39 N -0.58 -0.68 -2.86 -4.83 4.76 -0.97 -4.84 118.16 108.16 2aqm n LYS 39 Ca -0.01 0.68 -0.27 0.00 -2.87 0.00 0.00 58.31 55.84 2aqm n LYS 39 Cb 0.66 -4.62 -0.01 0.00 -1.84 0.00 0.00 35.03 29.22 2aqm n LYS 39 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2aqm s LEU 40 N -2.33 3.76 0.37 -0.35 1.43 -0.67 -5.07 118.68 115.82 2aqm s LEU 40 Ca 0.00 0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 53.69 2aqm s LEU 40 Cb 0.00 -3.77 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 2aqm s LEU 40 CO 0.00 -0.47 1.22 0.42 0.23 0.00 0.00 176.35 177.75 2aqm s THR 41 N -2.55 2.97 0.52 5.49 -4.23 -1.26 -4.13 115.64 112.45 2aqm s THR 41 Ca 0.46 0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 61.63 2aqm s THR 41 Cb -0.10 -3.52 -0.06 0.00 1.34 0.00 0.00 72.50 70.15 2aqm s THR 41 CO 0.40 0.14 1.28 -2.65 -0.54 0.00 0.00 174.62 173.25 2aqm n PRO 42 N 0.39 1.63 0.00 3.99 -0.02 -1.26 -4.69 135.00 135.03 2aqm n PRO 42 Ca 0.03 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2aqm n PRO 42 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2aqm n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aqm n GLY 43 N 0.85 0.23 3.78 -1.23 0.00 -0.24 -4.93 105.19 103.64 2aqm n GLY 43 Ca 0.10 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 2aqm n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqm s TYR 44 N -0.40 3.63 -0.05 1.61 2.02 -1.26 -1.07 117.35 121.84 2aqm s TYR 44 Ca 0.00 1.76 0.02 0.00 -0.37 0.00 0.00 57.07 58.48 2aqm s TYR 44 Cb 0.00 -3.00 0.01 0.00 -0.40 0.00 0.00 41.96 38.58 2aqm s TYR 44 CO 0.00 0.02 -0.09 -1.01 -1.57 0.00 0.00 175.55 172.90 2aqm s HIS 45 N -1.54 1.07 0.51 2.71 3.76 -0.06 -3.71 115.29 118.03 2aqm s HIS 45 Ca 0.50 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.85 2aqm s HIS 45 Cb -0.21 -0.82 -0.06 0.00 1.11 0.00 0.00 32.58 32.60 2aqm s HIS 45 CO 0.27 -0.20 1.25 0.20 -0.85 0.00 0.00 174.74 175.41 2aqm s GLY 46 N 0.61 2.82 -0.13 -2.22 0.00 0.07 -1.30 107.32 107.17 2aqm s GLY 46 Ca -0.11 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.69 2aqm s GLY 46 CO 0.02 1.59 0.20 -0.12 0.00 0.00 0.00 173.10 174.79 2aqm s PHE 47 N -1.44 -0.26 0.01 1.90 5.36 -1.26 -0.65 117.98 121.64 2aqm s PHE 47 Ca 0.68 0.56 -0.08 0.00 -0.96 0.00 0.00 56.93 57.13 2aqm s PHE 47 Cb -0.34 -0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 2aqm s PHE 47 CO 0.40 -0.40 0.16 -1.01 -1.46 0.00 0.00 175.22 172.91 2aqm s HIS 48 N 2.33 0.05 -0.12 10.12 3.76 -0.60 -2.32 115.29 128.52 2aqm s HIS 48 Ca 0.04 -0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 2aqm s HIS 48 Cb -0.13 -0.05 -0.01 0.00 1.11 0.00 0.00 32.58 33.50 2aqm s HIS 48 CO -0.08 -0.34 1.02 0.08 -0.85 0.00 0.00 174.74 174.57 2aqm s VAL 49 N -1.81 4.75 0.34 -0.90 1.01 0.20 -1.00 120.40 122.98 2aqm s VAL 49 Ca -0.11 2.03 0.07 0.00 0.00 0.00 0.00 61.98 63.96 2aqm s VAL 49 Cb -0.05 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2aqm s VAL 49 CO -0.00 -0.02 0.46 -1.00 0.00 0.00 0.00 175.10 174.54 2aqm s HIS 50 N 2.17 3.09 -0.45 5.22 3.76 0.52 -0.43 115.29 129.17 2aqm s HIS 50 Ca 0.48 -0.23 0.23 0.00 -0.15 0.00 0.00 55.06 55.40 2aqm s HIS 50 Cb -0.18 -1.98 0.24 0.00 1.11 0.00 0.00 32.58 31.77 2aqm s HIS 50 CO 0.17 -0.00 1.30 1.05 -0.85 0.00 0.00 174.74 176.41 2aqm h GLU 51 N 0.92 0.00 -6.61 1.40 4.11 -0.55 -2.63 114.58 111.23 2aqm h GLU 51 Ca -0.46 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.29 2aqm h GLU 51 Cb 1.26 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.28 2aqm h GLU 51 CO 0.53 0.00 -0.82 -0.80 0.07 0.00 0.00 179.01 177.99 2aqm s ASN 52 N -5.06 3.66 -1.52 3.06 0.01 0.00 -4.73 114.94 110.37 2aqm s ASN 52 Ca 0.04 -0.46 -0.09 0.00 -0.71 0.00 0.00 52.86 51.64 2aqm s ASN 52 Cb 0.10 -0.54 -0.01 0.00 0.41 0.00 0.00 41.25 41.21 2aqm s ASN 52 CO 0.73 0.26 2.71 -0.81 -1.51 0.00 0.00 177.10 178.47 2aqm n PRO 53 N 1.61 3.85 -3.68 -0.60 -0.04 -1.24 -3.56 135.00 131.34 2aqm n PRO 53 Ca -0.16 -2.61 -0.14 0.00 -0.04 0.00 0.00 63.50 60.54 2aqm n PRO 53 Cb 0.52 -2.81 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 2aqm n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2aqm s SER 54 N 1.76 -0.44 -0.07 3.54 0.15 -1.26 -4.99 113.70 112.39 2aqm s SER 54 Ca 0.63 0.64 0.12 0.00 0.70 0.00 0.00 55.95 58.03 2aqm s SER 54 Cb 0.17 0.68 0.32 0.00 -1.71 0.00 0.00 66.02 65.48 2aqm s SER 54 CO -0.07 -0.36 1.25 0.00 1.20 0.00 0.00 173.24 175.27 2aqm s ALA 56 N -1.77 2.11 1.30 0.00 0.00 -1.26 -3.92 121.76 118.22 2aqm s ALA 56 Ca 0.26 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 2aqm s ALA 56 Cb 0.19 -3.45 0.33 0.00 0.00 0.00 0.00 23.12 20.18 2aqm s ALA 56 CO 0.10 -1.88 1.05 -2.14 0.00 0.00 0.00 175.76 172.88 2aqm s PRO 57 N -4.02 -2.02 0.28 0.00 0.02 -1.26 -0.72 135.00 127.27 2aqm s PRO 57 Ca 0.73 -0.08 -0.16 0.00 0.02 0.00 0.00 61.00 61.51 2aqm s PRO 57 Cb -0.27 -1.50 0.06 0.00 0.02 0.00 0.00 34.50 32.80 2aqm s PRO 57 CO 0.46 -4.24 0.79 0.41 -0.33 0.00 0.00 177.00 174.10 2aqm n GLY 58 N -0.16 0.92 3.43 0.52 0.00 -0.98 -4.03 105.19 104.88 2aqm n GLY 58 Ca 0.14 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2aqm n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqm s GLU 59 N -2.07 2.81 -0.04 1.61 2.02 -1.26 -0.64 118.70 121.13 2aqm s GLU 59 Ca 0.17 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.45 2aqm s GLU 59 Cb -0.04 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2aqm s GLU 59 CO 0.08 0.47 0.02 0.21 0.02 0.00 0.00 175.26 176.06 2aqm s LYS 60 N -0.33 0.22 -1.41 1.61 2.20 -0.20 -4.82 119.74 117.02 2aqm s LYS 60 Ca 0.03 0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.74 2aqm s LYS 60 Cb -0.13 -0.52 0.03 0.00 -1.51 0.00 0.00 37.83 35.71 2aqm s LYS 60 CO 0.02 -0.20 0.46 -0.25 -0.36 0.00 0.00 175.35 175.03 2aqm n ASP 61 N 4.49 -4.94 0.00 1.43 8.00 -1.26 -1.06 116.55 123.21 2aqm n ASP 61 Ca -0.20 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.05 2aqm n ASP 61 Cb 0.50 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 2aqm n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqm n GLY 62 N -1.28 0.39 3.87 0.44 0.00 -1.26 -5.02 105.19 102.32 2aqm n GLY 62 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2aqm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqm s LYS 63 N -0.69 3.36 -0.13 1.61 1.02 -0.22 -5.07 119.74 119.61 2aqm s LYS 63 Ca 0.00 -0.28 -0.27 0.00 0.02 0.00 0.00 55.97 55.44 2aqm s LYS 63 Cb 0.00 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2aqm s LYS 63 CO 0.00 0.71 0.92 0.42 -0.92 0.00 0.00 175.35 176.48 2aqm s ILE 64 N -1.18 4.84 -0.27 2.17 1.01 -1.26 -1.03 121.20 125.48 2aqm s ILE 64 Ca 0.22 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.70 2aqm s ILE 64 Cb -0.12 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.17 2aqm s ILE 64 CO 0.12 0.02 -0.06 -0.69 0.00 0.00 0.00 174.94 174.33 2aqm s VAL 65 N 2.02 2.64 0.21 2.92 1.01 0.19 -4.99 120.40 124.40 2aqm s VAL 65 Ca 0.43 -1.37 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 2aqm s VAL 65 Cb -0.17 -2.47 -0.14 0.00 0.00 0.00 0.00 36.38 33.60 2aqm s VAL 65 CO 0.15 0.02 1.38 -2.65 0.00 0.00 0.00 175.10 174.01 2aqm n PRO 66 N 4.57 1.85 -1.77 2.72 -0.02 -1.26 -2.17 135.00 138.92 2aqm n PRO 66 Ca -0.15 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 2aqm n PRO 66 Cb 0.44 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 2aqm n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aqm n ALA 67 N 2.05 -0.38 -0.08 3.55 0.00 -1.22 -4.57 120.51 119.86 2aqm n ALA 67 Ca 0.13 0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.95 2aqm n ALA 67 Cb 0.29 -2.07 0.43 0.00 0.00 0.00 0.00 19.45 18.10 2aqm n ALA 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2aqm h LEU 68 N 0.00 0.49 -0.40 0.00 6.46 -1.15 -2.52 115.31 118.19 2aqm h LEU 68 Ca -0.44 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 2aqm h LEU 68 Cb 1.35 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 2aqm h LEU 68 CO 0.61 0.32 0.00 0.00 -0.62 0.00 0.00 178.44 178.76 2aqm n ALA 69 N -2.48 1.38 0.36 1.25 0.00 0.10 -0.98 120.51 120.15 2aqm n ALA 69 Ca 0.08 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2aqm n ALA 69 Cb 0.22 -1.22 0.43 0.00 0.00 0.00 0.00 19.45 18.89 2aqm n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqm n ALA 70 N -1.61 1.54 -0.18 0.00 0.00 -0.95 -4.53 120.51 114.77 2aqm n ALA 70 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2aqm n ALA 70 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2aqm n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqm n GLY 71 N -0.27 -1.40 0.50 0.00 0.00 -0.15 -0.82 105.19 103.06 2aqm n GLY 71 Ca 0.02 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 2aqm n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqm n GLY 72 N 0.00 -0.68 3.77 -0.02 0.00 -1.26 -4.65 105.19 102.35 2aqm n GLY 72 Ca 0.00 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2aqm n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqm s HIS 73 N -1.07 3.14 -0.01 1.61 3.76 -1.26 -0.82 115.29 120.63 2aqm s HIS 73 Ca 0.10 1.48 -0.35 0.00 -0.15 0.00 0.00 55.06 56.13 2aqm s HIS 73 Cb -0.00 -3.58 -0.14 0.00 1.11 0.00 0.00 32.58 29.97 2aqm s HIS 73 CO 0.07 -1.58 1.69 0.98 -0.85 0.00 0.00 174.74 175.05 2aqm n TYR 74 N 0.77 2.17 -2.98 1.40 9.36 0.43 -4.60 117.16 123.71 2aqm n TYR 74 Ca 0.00 0.24 -0.15 0.00 3.32 0.00 0.00 57.90 61.32 2aqm n TYR 74 Cb 0.43 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 2aqm n TYR 74 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2aqm n ASP 75 N 4.83 -1.00 0.27 2.98 2.03 -1.26 -0.83 116.55 123.57 2aqm n ASP 75 Ca 0.21 -3.14 0.12 0.00 0.52 0.00 0.00 54.79 52.49 2aqm n ASP 75 Cb 0.26 0.55 0.77 0.00 -0.72 0.00 0.00 41.12 41.98 2aqm n ASP 75 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2aqm h PRO 76 N 3.55 0.00 0.00 -0.67 0.13 -1.94 -0.49 132.00 132.58 2aqm h PRO 76 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2aqm h PRO 76 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2aqm h PRO 76 CO 0.37 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2aqm n GLY 77 N -1.24 -1.12 2.91 1.56 0.00 -1.26 -4.91 105.19 101.13 2aqm n GLY 77 Ca -0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2aqm n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aqm n ASN 78 N -1.24 -5.23 0.16 1.61 5.03 -0.19 -4.87 115.26 110.52 2aqm n ASN 78 Ca 0.14 -0.19 0.01 0.00 0.87 0.00 0.00 54.58 55.40 2aqm n ASN 78 Cb 0.19 -4.29 0.27 0.00 -1.02 0.00 0.00 39.78 34.93 2aqm n ASN 78 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2aqm h THR 79 N -0.86 1.35 -3.23 3.41 1.35 -1.90 -3.47 112.91 109.56 2aqm h THR 79 Ca -0.47 -1.67 -0.40 0.00 -0.55 0.00 0.00 66.41 63.33 2aqm h THR 79 Cb 1.33 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 2aqm h THR 79 CO 0.53 0.48 -0.52 1.41 -0.25 0.00 0.00 175.52 177.17 2aqm n HIS 80 N -3.96 -1.13 -3.63 4.73 8.25 -1.26 -4.98 115.22 113.23 2aqm n HIS 80 Ca -0.02 0.04 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2aqm n HIS 80 Cb 0.50 -3.87 -0.05 0.00 1.12 0.00 0.00 29.99 27.69 2aqm n HIS 80 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2aqm s HIS 81 N -3.00 -0.25 -0.31 4.41 -3.43 -1.26 -5.07 115.29 106.38 2aqm s HIS 81 Ca 0.02 0.04 -0.09 0.00 -0.80 0.00 0.00 55.06 54.23 2aqm s HIS 81 Cb -0.01 0.26 -0.00 0.00 -1.43 0.00 0.00 32.58 31.39 2aqm s HIS 81 CO 0.03 -0.66 0.15 -1.58 -2.00 0.00 0.00 174.74 170.68 2aqm s HIS 82 N -3.28 3.18 0.00 0.38 2.46 -1.26 -1.40 115.29 115.36 2aqm s HIS 82 Ca -0.00 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 54.90 2aqm s HIS 82 Cb 0.01 -2.35 0.00 0.00 -0.13 0.00 0.00 32.58 30.11 2aqm s HIS 82 CO -0.08 -0.47 0.72 1.28 -2.47 0.00 0.00 174.74 173.72 2aqm n LEU 83 N 4.97 0.90 -0.03 8.88 4.77 -1.26 -3.46 117.00 131.77 2aqm n LEU 83 Ca -0.14 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2aqm n LEU 83 Cb 0.49 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2aqm n LEU 83 CO 0.34 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 177.23 2aqm n GLY 84 N -0.22 -1.29 0.27 -0.72 0.00 -1.26 -3.01 105.19 98.95 2aqm n GLY 84 Ca 0.00 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.64 2aqm n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aqm h PRO 85 N -0.03 0.00 0.00 1.61 0.13 -1.79 -2.80 132.00 129.12 2aqm h PRO 85 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2aqm h PRO 85 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2aqm h PRO 85 CO 0.00 0.06 -0.97 0.39 -0.23 0.00 0.00 178.00 177.25 2aqm n GLU 86 N -3.19 0.50 -2.35 0.86 -0.58 -1.26 -4.43 120.64 110.20 2aqm n GLU 86 Ca 0.00 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 2aqm n GLU 86 Cb 0.33 -1.43 0.09 0.00 -0.57 0.00 0.00 31.44 29.86 2aqm n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2aqm s GLY 87 N -2.91 1.75 -0.42 0.62 0.00 -1.06 -5.02 107.32 100.27 2aqm s GLY 87 Ca 0.07 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.58 2aqm s GLY 87 CO 0.81 -0.78 1.57 1.22 0.00 0.00 0.00 173.10 175.93 2aqm n ASP 88 N -2.91 5.15 0.00 1.64 8.00 -1.26 -4.80 116.55 122.37 2aqm n ASP 88 Ca 0.11 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.84 2aqm n ASP 88 Cb 0.60 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 2aqm n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqm n GLY 89 N -0.90 1.31 3.68 0.44 0.00 -1.26 -4.96 105.19 103.49 2aqm n GLY 89 Ca 0.48 -1.12 -0.52 0.00 0.00 0.00 0.00 46.02 44.86 2aqm n GLY 89 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2aqm n HIS 90 N 0.00 2.10 0.31 1.61 8.25 -0.49 -4.82 115.22 122.17 2aqm n HIS 90 Ca 0.00 0.34 0.16 0.00 -0.26 0.00 0.00 57.72 57.96 2aqm n HIS 90 Cb 0.00 -2.52 0.69 0.00 1.12 0.00 0.00 29.99 29.28 2aqm n HIS 90 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2aqm h MET 91 N 7.38 0.00 0.00 -0.41 0.00 -1.88 -2.48 114.93 117.55 2aqm h MET 91 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.23 2aqm h MET 91 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.90 2aqm h MET 91 CO 0.92 0.00 0.00 0.41 0.00 0.00 0.00 176.91 178.24 2aqm n GLY 92 N -0.22 -0.89 3.65 8.32 0.00 -0.01 -4.82 105.19 111.21 2aqm n GLY 92 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2aqm n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aqm s ASP 93 N -2.05 6.79 0.30 1.61 1.01 -0.93 -0.63 116.67 122.77 2aqm s ASP 93 Ca 0.40 1.60 0.07 0.00 0.71 0.00 0.00 52.55 55.34 2aqm s ASP 93 Cb 0.19 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2aqm s ASP 93 CO 0.33 -0.91 0.24 -0.76 0.21 0.00 0.00 175.17 174.28 2aqm s LEU 94 N 3.95 3.63 0.54 1.23 1.43 -0.98 -3.40 118.68 125.08 2aqm s LEU 94 Ca 0.58 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 2aqm s LEU 94 Cb -0.22 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2aqm s LEU 94 CO 0.20 -0.22 1.30 -2.84 0.23 0.00 0.00 176.35 175.01 2aqm s PRO 95 N -3.92 3.23 0.66 1.29 0.02 -1.26 -4.52 135.00 130.51 2aqm s PRO 95 Ca 0.37 2.09 -0.17 0.00 0.02 0.00 0.00 61.00 63.32 2aqm s PRO 95 Cb -0.06 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.22 2aqm s PRO 95 CO 0.25 -1.07 1.20 -0.98 -0.33 0.00 0.00 177.00 176.08 2aqm s ARG 96 N -2.92 2.57 0.16 5.54 1.70 -1.26 -4.56 118.95 120.17 2aqm s ARG 96 Ca 0.71 1.77 0.01 0.00 -0.47 0.00 0.00 55.73 57.75 2aqm s ARG 96 Cb -0.37 -1.88 -0.04 0.00 -0.57 0.00 0.00 34.95 32.09 2aqm s ARG 96 CO 0.43 -1.51 0.32 -0.51 -1.08 0.00 0.00 175.30 172.95 2aqm s LEU 97 N -4.63 4.30 -0.24 -1.89 1.43 -0.42 -4.93 118.68 112.29 2aqm s LEU 97 Ca 0.75 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2aqm s LEU 97 Cb -0.29 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 42.96 2aqm s LEU 97 CO 0.40 0.03 -0.11 -0.55 0.23 0.00 0.00 176.35 176.35 2aqm s SER 98 N -3.10 4.12 -0.02 2.29 0.15 -1.26 -0.88 113.70 114.99 2aqm s SER 98 Ca 0.36 -1.24 -0.16 0.00 0.70 0.00 0.00 55.95 55.61 2aqm s SER 98 Cb -0.11 -1.44 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 2aqm s SER 98 CO 0.28 -0.18 0.44 0.00 1.20 0.00 0.00 173.24 174.98 2aqm s ALA 99 N 1.20 3.64 0.82 5.45 0.00 -0.23 -4.48 121.76 128.16 2aqm s ALA 99 Ca -0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 2aqm s ALA 99 Cb -0.19 -2.47 0.13 0.00 0.00 0.00 0.00 23.12 20.59 2aqm s ALA 99 CO -0.06 0.36 0.80 0.27 0.00 0.00 0.00 175.76 177.13 2aqm n ASN 100 N 2.25 0.47 0.29 0.00 0.23 -0.31 -1.08 115.26 117.10 2aqm n ASN 100 Ca -0.12 -1.54 0.16 0.00 -0.53 0.00 0.00 54.58 52.55 2aqm n ASN 100 Cb 0.52 -0.57 0.88 0.00 -2.08 0.00 0.00 39.78 38.53 2aqm n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aqm h ALA 101 N -1.24 1.31 -0.16 -2.53 0.00 -1.97 0.78 119.26 115.45 2aqm h ALA 101 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2aqm h ALA 101 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2aqm h ALA 101 CO 0.22 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 2aqm n ASP 102 N -3.59 1.53 0.00 0.00 8.00 -1.26 -4.83 116.55 116.40 2aqm n ASP 102 Ca -0.02 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.79 2aqm n ASP 102 Cb 0.15 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2aqm n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqm n GLY 103 N 1.10 0.50 3.73 0.44 0.00 0.27 -4.68 105.19 106.54 2aqm n GLY 103 Ca 0.16 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2aqm n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aqm s LYS 104 N -0.81 3.05 -0.16 1.61 -0.14 -1.26 -1.67 119.74 120.37 2aqm s LYS 104 Ca 0.00 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.19 2aqm s LYS 104 Cb 0.00 -2.86 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 2aqm s LYS 104 CO 0.00 0.70 -0.05 0.08 -0.76 0.00 0.00 175.35 175.32 2aqm s VAL 105 N -0.96 3.71 -0.38 3.17 1.01 0.16 -1.16 120.40 125.95 2aqm s VAL 105 Ca 0.15 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.75 2aqm s VAL 105 Cb -0.12 -2.62 0.16 0.00 0.00 0.00 0.00 36.38 33.80 2aqm s VAL 105 CO 0.04 0.49 0.40 -0.55 0.00 0.00 0.00 175.10 175.49 2aqm s SER 106 N 0.49 0.88 0.13 3.32 0.15 -1.24 -1.34 113.70 116.09 2aqm s SER 106 Ca -0.04 -1.51 -0.25 0.00 0.70 0.00 0.00 55.95 54.85 2aqm s SER 106 Cb -0.15 0.70 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 2aqm s SER 106 CO 0.03 -0.25 0.84 -1.83 1.20 0.00 0.00 173.24 173.23 2aqm s GLU 107 N 1.46 1.19 -0.10 5.44 -1.05 -0.79 -5.01 118.70 119.84 2aqm s GLU 107 Ca 0.17 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 2aqm s GLU 107 Cb -0.14 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 33.99 2aqm s GLU 107 CO -0.03 -0.54 -0.10 0.99 0.95 0.00 0.00 175.26 176.52 2aqm s THR 108 N -3.42 3.34 0.19 1.83 2.01 -1.26 -0.28 115.64 118.05 2aqm s THR 108 Ca 0.08 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.60 2aqm s THR 108 Cb -0.02 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2aqm s THR 108 CO -0.03 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.95 2aqm s VAL 109 N -0.12 2.70 -0.05 3.82 -7.23 -0.36 -4.95 120.40 114.21 2aqm s VAL 109 Ca -0.00 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2aqm s VAL 109 Cb -0.13 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 2aqm s VAL 109 CO 0.03 -0.13 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.81 2aqm s VAL 110 N -1.73 1.59 -0.61 1.32 1.01 -1.26 -0.80 120.40 119.92 2aqm s VAL 110 Ca 0.23 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 2aqm s VAL 110 Cb -0.08 -1.37 0.16 0.00 0.00 0.00 0.00 36.38 35.09 2aqm s VAL 110 CO 0.12 0.45 0.48 0.00 0.00 0.00 0.00 175.10 176.16 2aqm s ALA 111 N 0.06 3.63 0.48 5.51 0.00 -0.37 -4.57 121.76 126.50 2aqm s ALA 111 Ca -0.06 -2.98 0.38 0.00 0.00 0.00 0.00 51.96 49.31 2aqm s ALA 111 Cb -0.13 -2.94 1.98 0.00 0.00 0.00 0.00 23.12 22.03 2aqm s ALA 111 CO 0.03 -2.07 2.22 -1.00 0.00 0.00 0.00 175.76 174.95 2aqm h PRO 112 N 7.80 0.00 -0.01 0.00 0.13 -1.78 -2.09 132.00 136.05 2aqm h PRO 112 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2aqm h PRO 112 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2aqm h PRO 112 CO 0.78 0.02 -0.16 0.72 -0.23 0.00 0.00 178.00 179.13 2aqm n HIS 113 N -3.21 0.00 -4.22 1.56 8.25 -1.26 -4.64 115.22 111.69 2aqm n HIS 113 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 2aqm n HIS 113 Cb 0.16 -0.13 -0.12 0.00 1.12 0.00 0.00 29.99 31.02 2aqm n HIS 113 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aqm s LEU 114 N -2.41 3.24 -0.13 2.41 1.43 -0.80 -5.00 118.68 117.43 2aqm s LEU 114 Ca 0.29 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2aqm s LEU 114 Cb 0.20 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 2aqm s LEU 114 CO 0.47 0.11 -0.09 1.17 0.23 0.00 0.00 176.35 178.24 2aqm n LYS 115 N 3.92 0.64 -5.24 1.70 4.81 -1.26 -1.17 118.16 121.56 2aqm n LYS 115 Ca -0.17 0.06 -0.31 0.00 -0.87 0.00 0.00 58.31 57.02 2aqm n LYS 115 Cb 0.52 -1.26 -0.16 0.00 0.02 0.00 0.00 35.03 34.15 2aqm n LYS 115 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2aqm s LYS 116 N -2.26 2.31 0.31 1.64 -0.14 -1.26 -4.69 119.74 115.65 2aqm s LYS 116 Ca -0.16 -0.88 0.03 0.00 -1.36 0.00 0.00 55.97 53.60 2aqm s LYS 116 Cb 0.04 -2.05 0.60 0.00 -1.68 0.00 0.00 37.83 34.75 2aqm s LYS 116 CO 0.32 0.43 1.88 1.25 -0.76 0.00 0.00 175.35 178.47 2aqm h LEU 117 N 5.87 0.85 -2.00 3.17 5.85 -1.95 -1.76 115.31 125.35 2aqm h LEU 117 Ca -0.36 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.55 2aqm h LEU 117 Cb 1.16 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2aqm h LEU 117 CO 0.47 0.50 0.46 0.00 -0.34 0.00 0.00 178.44 179.53 2aqm h ALA 118 N 1.54 2.43 -0.61 1.25 0.00 -1.98 -0.55 119.26 121.35 2aqm h ALA 118 Ca 0.43 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.38 2aqm h ALA 118 Cb 0.40 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2aqm h ALA 118 CO -0.19 -0.75 0.40 0.93 0.00 0.00 0.00 179.25 179.64 2aqm h GLU 119 N 0.00 0.58 -0.08 0.00 5.08 -1.74 -3.13 114.58 115.29 2aqm h GLU 119 Ca 0.27 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2aqm h GLU 119 Cb 1.18 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2aqm h GLU 119 CO -0.00 0.38 0.00 0.44 -1.00 0.00 0.00 179.01 178.83 2aqm n ILE 120 N -4.48 1.53 -1.99 3.13 -5.35 -0.24 -5.01 119.36 106.96 2aqm n ILE 120 Ca 0.08 -1.63 -0.36 0.00 -0.27 0.00 0.00 62.75 60.57 2aqm n ILE 120 Cb 0.23 0.10 0.04 0.00 -1.74 0.00 0.00 39.64 38.27 2aqm n ILE 120 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2aqm s LYS 121 N -2.01 2.97 -1.44 6.28 1.02 -1.07 -2.85 119.74 122.65 2aqm s LYS 121 Ca 0.21 1.87 -0.11 0.00 0.02 0.00 0.00 55.97 57.96 2aqm s LYS 121 Cb 0.17 -1.95 0.05 0.00 -0.52 0.00 0.00 37.83 35.58 2aqm s LYS 121 CO 0.04 -1.22 1.07 1.04 -0.92 0.00 0.00 175.35 175.36 2aqm n GLN 122 N -1.56 -6.63 -0.58 1.68 1.13 0.11 -4.99 117.38 106.54 2aqm n GLN 122 Ca 0.14 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.90 2aqm n GLN 122 Cb 0.49 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 25.18 2aqm n GLN 122 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2aqm n ARG 123 N -4.80 2.40 -4.05 -1.09 5.12 -1.13 -3.67 116.66 109.43 2aqm n ARG 123 Ca 0.01 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 2aqm n ARG 123 Cb 0.55 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.75 2aqm n ARG 123 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2aqm s SER 124 N 0.42 0.41 -0.10 0.55 1.04 -0.99 -0.75 113.70 114.28 2aqm s SER 124 Ca 0.00 -0.86 -0.01 0.00 0.48 0.00 0.00 55.95 55.56 2aqm s SER 124 Cb 0.00 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2aqm s SER 124 CO 0.00 -0.53 -0.04 -0.76 0.98 0.00 0.00 173.24 172.89 2aqm s LEU 125 N -2.55 3.32 -0.05 2.42 1.43 0.26 -0.35 118.68 123.15 2aqm s LEU 125 Ca 0.01 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2aqm s LEU 125 Cb 0.03 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2aqm s LEU 125 CO -0.08 0.31 -0.12 -0.32 0.23 0.00 0.00 176.35 176.37 2aqm s MET 126 N -0.51 1.50 -0.12 1.70 1.75 -0.17 -1.61 119.30 121.83 2aqm s MET 126 Ca 0.08 -0.42 -0.01 0.00 -1.25 0.00 0.00 55.69 54.10 2aqm s MET 126 Cb -0.12 -1.29 -0.02 0.00 2.84 0.00 0.00 34.83 36.24 2aqm s MET 126 CO 0.02 0.09 -0.10 0.08 -0.65 0.00 0.00 175.02 174.46 2aqm s VAL 127 N 0.42 3.34 0.31 10.11 1.01 -0.27 -1.56 120.40 133.76 2aqm s VAL 127 Ca -0.09 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2aqm s VAL 127 Cb -0.13 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2aqm s VAL 127 CO 0.02 0.53 0.45 -1.00 0.00 0.00 0.00 175.10 175.10 2aqm s HIS 128 N 0.14 3.21 0.05 5.22 3.76 0.17 -0.53 115.29 127.32 2aqm s HIS 128 Ca -0.05 -0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 2aqm s HIS 128 Cb -0.14 -1.89 -0.12 0.00 1.11 0.00 0.00 32.58 31.53 2aqm s HIS 128 CO 0.04 0.10 1.42 0.28 -0.85 0.00 0.00 174.74 175.73 2aqm h VAL 129 N 0.95 1.30 -3.99 -0.90 2.07 -0.97 -3.38 116.25 111.33 2aqm h VAL 129 Ca -0.47 -1.10 -0.33 0.00 0.82 0.00 0.00 66.70 65.61 2aqm h VAL 129 Cb 1.25 1.67 0.11 0.00 -1.52 0.00 0.00 31.29 32.79 2aqm h VAL 129 CO 0.55 0.33 0.23 0.61 0.02 0.00 0.00 177.57 179.31 2aqm n GLY 130 N -0.04 -0.63 0.00 2.17 0.00 0.35 -4.87 105.19 102.16 2aqm n GLY 130 Ca -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2aqm n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqm n GLY 131 N -1.28 1.26 3.13 -0.02 0.00 -1.23 -0.75 105.19 106.31 2aqm n GLY 131 Ca 0.13 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.57 2aqm n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aqm s ASP 132 N -1.00 -1.31 -0.03 1.61 -1.08 -1.23 -2.97 116.67 110.66 2aqm s ASP 132 Ca 0.00 0.75 0.14 0.00 -0.52 0.00 0.00 52.55 52.92 2aqm s ASP 132 Cb 0.00 2.08 0.45 0.00 -1.46 0.00 0.00 42.92 43.99 2aqm s ASP 132 CO 0.00 -0.27 1.34 -0.46 0.52 0.00 0.00 175.17 176.31 2aqm n ASN 133 N 5.42 2.88 -2.70 -0.34 6.94 -0.62 -4.89 115.26 121.95 2aqm n ASN 133 Ca -0.00 -2.12 -0.21 0.00 -0.02 0.00 0.00 54.58 52.22 2aqm n ASN 133 Cb 0.51 -0.38 0.02 0.00 -2.36 0.00 0.00 39.78 37.57 2aqm n ASN 133 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2aqm n TYR 134 N 0.80 -1.62 -3.92 -2.53 4.01 -1.26 -4.96 117.16 107.69 2aqm n TYR 134 Ca 0.16 0.36 -0.09 0.00 -0.16 0.00 0.00 57.90 58.17 2aqm n TYR 134 Cb 0.50 -4.20 -0.06 0.00 -0.31 0.00 0.00 39.34 35.27 2aqm n TYR 134 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2aqm s SER 135 N -2.56 -0.07 -0.08 7.72 0.15 -1.22 -4.09 113.70 113.55 2aqm s SER 135 Ca 0.21 -0.79 0.19 0.00 0.70 0.00 0.00 55.95 56.26 2aqm s SER 135 Cb -0.09 0.51 0.67 0.00 -1.71 0.00 0.00 66.02 65.40 2aqm s SER 135 CO 0.26 -0.99 1.58 0.47 1.20 0.00 0.00 173.24 175.75 2aqm n ASP 136 N -0.29 4.42 -3.95 5.45 8.00 -1.25 -0.18 116.55 128.75 2aqm n ASP 136 Ca -0.06 -2.33 -0.23 0.00 0.71 0.00 0.00 54.79 52.88 2aqm n ASP 136 Cb 0.63 -0.53 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 2aqm n ASP 136 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2aqm s LYS 137 N -1.62 1.27 0.00 -1.24 2.20 -1.26 -3.53 119.74 115.56 2aqm s LYS 137 Ca 0.48 -0.25 0.29 0.00 -0.36 0.00 0.00 55.97 56.14 2aqm s LYS 137 Cb 0.30 -1.16 1.36 0.00 -1.51 0.00 0.00 37.83 36.81 2aqm s LYS 137 CO 0.26 -0.06 1.92 -0.35 -0.36 0.00 0.00 175.35 176.76 2aqm n PRO 138 N 4.06 1.18 -4.48 4.03 -0.04 -1.26 -5.02 135.00 133.47 2aqm n PRO 138 Ca -0.22 -0.46 -0.22 0.00 -0.04 0.00 0.00 63.50 62.56 2aqm n PRO 138 Cb 0.51 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2aqm n PRO 138 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2aqm s GLU 139 N -2.13 1.08 0.63 0.54 2.02 -1.23 -5.08 118.70 114.53 2aqm s GLU 139 Ca 0.38 -0.76 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 2aqm s GLU 139 Cb 0.21 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.30 2aqm s GLU 139 CO 0.39 0.28 1.18 -2.30 0.02 0.00 0.00 175.26 174.83 2aqm n PRO 140 N 2.04 1.06 -3.45 0.39 -0.02 -1.24 -3.54 135.00 130.24 2aqm n PRO 140 Ca -0.17 0.41 -0.24 0.00 -2.02 0.00 0.00 63.50 61.49 2aqm n PRO 140 Cb 0.54 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 2aqm n PRO 140 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2aqm n LEU 141 N -1.47 -3.23 0.00 2.45 4.77 -1.25 -1.64 117.00 116.63 2aqm n LEU 141 Ca 0.15 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2aqm n LEU 141 Cb 0.48 -3.03 0.00 0.00 -2.33 0.00 0.00 43.42 38.54 2aqm n LEU 141 CO 0.48 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2aqm n GLY 142 N -1.90 0.57 2.19 -0.72 0.00 0.75 -2.67 105.19 103.41 2aqm n GLY 142 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2aqm n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqm n GLY 143 N -2.04 0.63 0.19 -0.02 0.00 -0.65 -1.59 105.19 101.72 2aqm n GLY 143 Ca 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.40 2aqm n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2aqm h GLY 144 N 0.00 0.00 0.00 -0.02 0.00 -1.40 -3.26 103.07 98.39 2aqm h GLY 144 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2aqm h GLY 144 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.37 2aqm n GLY 145 N -0.21 2.63 3.72 4.60 0.00 -1.26 -0.50 105.19 114.17 2aqm n GLY 145 Ca -0.01 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 2aqm n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqm s ALA 146 N -2.00 1.95 -0.25 4.61 0.00 -1.26 -4.76 121.76 120.05 2aqm s ALA 146 Ca 0.00 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 2aqm s ALA 146 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2aqm s ALA 146 CO 0.00 -2.12 0.58 1.03 0.00 0.00 0.00 175.76 175.26 2aqm s ARG 147 N -4.44 4.10 -0.17 0.00 0.52 -1.26 -0.76 118.95 116.94 2aqm s ARG 147 Ca 0.68 0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 56.15 2aqm s ARG 147 Cb -0.23 -3.64 -0.22 0.00 0.52 0.00 0.00 34.95 31.37 2aqm s ARG 147 CO 0.52 -0.37 0.35 0.35 0.02 0.00 0.00 175.30 176.17 2aqm h PHE 148 N 7.91 0.13 -3.23 -0.53 3.04 -1.07 -3.42 116.94 119.77 2aqm h PHE 148 Ca -0.28 -0.09 -0.13 0.00 3.98 0.00 0.00 57.97 61.45 2aqm h PHE 148 Cb 1.13 -0.01 -0.20 0.00 2.56 0.00 0.00 35.95 39.43 2aqm h PHE 148 CO 0.75 1.48 -0.36 0.00 -2.02 0.00 0.00 178.31 178.16 2aqm s ALA 149 N -2.39 -0.60 -0.01 2.41 0.00 -0.69 -0.63 121.76 119.86 2aqm s ALA 149 Ca -0.25 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 2aqm s ALA 149 Cb 0.05 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2aqm s ALA 149 CO 0.65 -0.24 0.17 0.00 0.00 0.00 0.00 175.76 176.35 2aqm s GLY 151 N -1.21 -0.14 -0.01 0.00 0.00 -0.64 -1.60 107.32 103.72 2aqm s GLY 151 Ca -0.13 0.33 -0.20 0.00 0.00 0.00 0.00 44.72 44.73 2aqm s GLY 151 CO 0.02 0.14 0.56 0.14 0.00 0.00 0.00 173.10 173.95 2aqm s VAL 152 N -1.22 4.94 -0.34 1.40 1.01 -1.26 -0.58 120.40 124.34 2aqm s VAL 152 Ca -0.13 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 2aqm s VAL 152 Cb -0.05 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2aqm s VAL 152 CO 0.04 0.44 0.59 -0.63 0.00 0.00 0.00 175.10 175.53 2aqm s ILE 153 N -0.27 4.94 -2.07 2.22 1.01 0.07 -4.80 121.20 122.31 2aqm s ILE 153 Ca 0.29 0.55 0.31 0.00 0.00 0.00 0.00 60.65 61.81 2aqm s ILE 153 Cb -0.18 -4.02 0.86 0.00 0.01 0.00 0.00 42.46 39.13 2aqm s ILE 153 CO 0.16 -0.24 2.16 -0.62 0.00 0.00 0.00 174.94 176.40