#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqx n TYR 3 N 0.00 -0.71 -3.89 0.54 4.02 -1.25 -4.51 117.16 111.35 1aqx n TYR 3 Ca 0.00 -2.71 -0.10 0.00 -0.01 0.00 0.00 57.90 55.08 1aqx n TYR 3 Cb 0.00 0.26 -0.09 0.00 -0.02 0.00 0.00 39.34 39.49 1aqx n TYR 3 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1aqx s THR 4 N -3.29 0.11 -0.07 -0.72 2.01 -1.07 -2.68 115.64 109.92 1aqx s THR 4 Ca 0.37 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.51 1aqx s THR 4 Cb 0.02 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1aqx s THR 4 CO 0.26 -0.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.94 1aqx s VAL 5 N -2.05 0.88 -0.26 3.82 1.01 0.26 -2.05 120.40 122.01 1aqx s VAL 5 Ca -0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1aqx s VAL 5 Cb -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.51 1aqx s VAL 5 CO -0.02 0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.64 1aqx s VAL 6 N 1.09 2.66 0.32 2.92 1.01 -1.03 0.24 120.40 127.60 1aqx s VAL 6 Ca -0.07 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 1aqx s VAL 6 Cb -0.14 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1aqx s VAL 6 CO -0.01 0.06 0.67 -0.47 0.00 0.00 0.00 175.10 175.35 1aqx s TYR 7 N 1.24 0.16 0.47 5.22 5.04 -1.26 -1.56 117.35 126.65 1aqx s TYR 7 Ca -0.04 -0.65 -0.19 0.00 -2.44 0.00 0.00 57.07 53.75 1aqx s TYR 7 Cb -0.18 0.58 -0.09 0.00 0.35 0.00 0.00 41.96 42.61 1aqx s TYR 7 CO -0.04 -1.30 0.96 -0.06 -1.34 0.00 0.00 175.55 173.77 1aqx s PHE 8 N -3.27 3.38 0.00 4.97 0.08 -1.26 -1.15 117.98 120.73 1aqx s PHE 8 Ca 0.17 1.53 -0.00 0.00 0.12 0.00 0.00 56.93 58.75 1aqx s PHE 8 Cb -0.04 -2.82 -0.00 0.00 -0.57 0.00 0.00 43.02 39.59 1aqx s PHE 8 CO 0.10 -0.23 0.41 -0.35 -0.10 0.00 0.00 175.22 175.05 1aqx n PRO 9 N -1.09 0.04 -4.47 0.24 -0.04 -1.24 -4.69 135.00 123.75 1aqx n PRO 9 Ca 0.07 -0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1aqx n PRO 9 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1aqx n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1aqx s VAL 10 N 2.65 0.81 -0.06 0.52 -7.23 -1.26 -3.93 120.40 111.90 1aqx s VAL 10 Ca 0.01 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.28 1aqx s VAL 10 Cb 0.00 -2.54 -0.23 0.00 0.56 0.00 0.00 36.38 34.17 1aqx s VAL 10 CO 0.00 0.00 0.61 0.54 -0.31 0.00 0.00 175.10 175.94 1aqx n ARG 11 N -0.78 0.65 0.00 4.82 1.74 0.37 -4.87 116.66 118.59 1aqx n ARG 11 Ca -0.04 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1aqx n ARG 11 Cb 0.66 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1aqx n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aqx n GLY 12 N 1.62 0.00 0.07 -0.13 0.00 -0.49 -0.85 105.19 105.40 1aqx n GLY 12 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1aqx n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqx n ARG 13 N 0.00 0.15 0.00 1.61 5.12 -1.26 -3.72 116.66 118.56 1aqx n ARG 13 Ca 0.00 0.19 0.10 0.00 -1.93 0.00 0.00 57.85 56.21 1aqx n ARG 13 Cb 0.00 -1.70 -0.04 0.00 -1.16 0.00 0.00 32.46 29.57 1aqx n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aqx h ALA 15 N 3.22 1.11 0.00 0.00 0.00 -1.07 -1.57 119.26 120.95 1aqx h ALA 15 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1aqx h ALA 15 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1aqx h ALA 15 CO 0.00 -0.11 -1.77 0.00 0.00 0.00 0.00 179.25 177.36 1aqx n ALA 16 N -1.92 1.75 0.27 0.00 0.00 -1.26 -3.50 120.51 115.85 1aqx n ALA 16 Ca -0.02 -0.79 0.12 0.00 0.00 0.00 0.00 53.44 52.74 1aqx n ALA 16 Cb 0.18 -0.73 0.10 0.00 0.00 0.00 0.00 19.45 18.99 1aqx n ALA 16 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1aqx h LEU 17 N 0.00 0.00 -0.04 0.00 -0.00 -1.68 -1.87 115.31 111.71 1aqx h LEU 17 Ca -0.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.53 1aqx h LEU 17 Cb 1.84 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.50 1aqx h LEU 17 CO 0.05 0.03 -0.08 0.03 -0.00 0.00 0.00 178.44 178.46 1aqx h ARG 18 N 0.00 0.00 0.00 0.17 3.08 -1.44 0.83 114.38 117.02 1aqx h ARG 18 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aqx h ARG 18 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1aqx h ARG 18 CO 0.00 0.08 -0.96 -1.33 -1.07 0.00 0.00 179.97 176.69 1aqx n MET 19 N -3.12 0.44 -0.00 0.04 2.81 -1.17 -2.09 117.12 114.03 1aqx n MET 19 Ca 0.04 0.06 -0.17 0.00 -1.81 0.00 0.00 57.70 55.82 1aqx n MET 19 Cb 0.56 -1.71 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 1aqx n MET 19 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1aqx h LEU 20 N 0.00 0.28 0.00 4.03 6.46 -0.71 -2.80 115.31 122.57 1aqx h LEU 20 Ca 0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 1aqx h LEU 20 Cb 0.86 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1aqx h LEU 20 CO 0.00 1.55 -0.21 -0.07 -0.62 0.00 0.00 178.44 179.08 1aqx h LEU 21 N 0.05 0.00 0.00 2.25 3.38 0.58 -1.64 115.31 119.92 1aqx h LEU 21 Ca -0.37 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.27 1aqx h LEU 21 Cb 2.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.73 1aqx h LEU 21 CO 0.09 0.03 -1.92 0.00 0.09 0.00 0.00 178.44 176.74 1aqx n ALA 22 N -1.83 1.72 0.82 1.53 0.00 -0.89 -1.17 120.51 120.70 1aqx n ALA 22 Ca 0.05 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.70 1aqx n ALA 22 Cb 0.44 -0.62 0.15 0.00 0.00 0.00 0.00 19.45 19.42 1aqx n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1aqx n ASP 23 N -2.83 0.61 -1.19 0.00 2.03 -1.05 -3.87 116.55 110.25 1aqx n ASP 23 Ca -0.20 -0.24 0.10 0.00 0.52 0.00 0.00 54.79 54.97 1aqx n ASP 23 Cb 1.00 0.43 0.28 0.00 -0.72 0.00 0.00 41.12 42.11 1aqx n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aqx n GLN 24 N -1.72 2.76 -1.13 -0.67 1.13 -0.62 -4.90 117.38 112.23 1aqx n GLN 24 Ca 0.04 -2.52 -0.04 0.00 -1.94 0.00 0.00 57.00 52.54 1aqx n GLN 24 Cb 0.38 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.21 1aqx n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqx n GLY 25 N 1.39 0.72 3.92 1.08 0.00 -1.25 -5.02 105.19 106.02 1aqx n GLY 25 Ca 0.21 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1aqx n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqx s GLN 26 N -1.99 2.11 0.13 1.61 -1.52 -0.31 -5.05 119.66 114.64 1aqx s GLN 26 Ca 0.00 -0.09 0.04 0.00 -1.95 0.00 0.00 55.36 53.35 1aqx s GLN 26 Cb 0.00 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 1aqx s GLN 26 CO 0.00 -1.38 -0.09 -1.54 -0.25 0.00 0.00 175.29 172.03 1aqx s SER 27 N -4.54 1.58 -0.01 5.90 1.04 -1.26 -4.70 113.70 111.71 1aqx s SER 27 Ca 0.61 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.76 1aqx s SER 27 Cb -0.11 0.02 0.11 0.00 0.10 0.00 0.00 66.02 66.14 1aqx s SER 27 CO 0.47 -0.36 1.28 -1.66 0.98 0.00 0.00 173.24 173.95 1aqx s TRP 28 N -3.28 -0.01 0.04 5.02 -2.14 -1.26 -3.89 118.94 113.43 1aqx s TRP 28 Ca 0.14 -0.11 0.07 0.00 2.66 0.00 0.00 56.10 58.85 1aqx s TRP 28 Cb 0.02 0.56 -0.02 0.00 -3.10 0.00 0.00 33.47 30.93 1aqx s TRP 28 CO -0.01 -0.29 -0.19 0.21 -2.66 0.00 0.00 176.95 174.01 1aqx s LYS 29 N -2.23 1.29 0.03 3.25 2.36 -1.09 -5.00 119.74 118.34 1aqx s LYS 29 Ca 0.21 -0.90 0.01 0.00 -2.55 0.00 0.00 55.97 52.74 1aqx s LYS 29 Cb 0.02 -1.38 -0.04 0.00 -1.05 0.00 0.00 37.83 35.39 1aqx s LYS 29 CO -0.02 0.35 0.11 -1.21 1.55 0.00 0.00 175.35 176.12 1aqx s GLU 30 N -1.16 3.09 -0.40 4.03 0.41 -1.26 -0.58 118.70 122.83 1aqx s GLU 30 Ca 0.06 -0.53 0.06 0.00 -0.41 0.00 0.00 54.97 54.14 1aqx s GLU 30 Cb -0.09 -2.86 0.43 0.00 -1.78 0.00 0.00 34.13 29.84 1aqx s GLU 30 CO 0.02 0.62 1.13 -1.91 -0.49 0.00 0.00 175.26 174.62 1aqx n GLU 31 N 0.79 3.44 -0.55 1.61 2.13 0.14 -4.91 120.64 123.29 1aqx n GLU 31 Ca -0.10 -4.40 -0.19 0.00 0.66 0.00 0.00 57.16 53.13 1aqx n GLU 31 Cb 0.52 -2.24 -0.01 0.00 0.27 0.00 0.00 31.44 29.98 1aqx n GLU 31 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1aqx n VAL 32 N -0.54 0.74 -4.31 6.31 0.31 -1.26 -4.26 118.33 115.32 1aqx n VAL 32 Ca 0.40 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 64.35 1aqx n VAL 32 Cb 0.75 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.57 1aqx n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aqx s VAL 33 N -0.37 1.63 0.17 2.52 1.01 -0.30 -4.91 120.40 120.16 1aqx s VAL 33 Ca 0.25 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.25 1aqx s VAL 33 Cb -0.37 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1aqx s VAL 33 CO 0.22 -0.49 -0.04 0.42 0.00 0.00 0.00 175.10 175.20 1aqx s THR 34 N -2.56 0.94 -0.72 3.92 -4.23 -1.26 -3.65 115.64 108.08 1aqx s THR 34 Ca 0.17 -2.02 0.14 0.00 -1.18 0.00 0.00 61.69 58.80 1aqx s THR 34 Cb -0.03 -2.04 0.13 0.00 1.34 0.00 0.00 72.50 71.91 1aqx s THR 34 CO 0.05 -0.57 1.42 0.52 -0.54 0.00 0.00 174.62 175.50 1aqx n VAL 35 N -0.25 1.26 0.03 2.29 0.31 -1.26 0.16 118.33 120.88 1aqx n VAL 35 Ca -0.08 0.42 0.07 0.00 -0.01 0.00 0.00 64.34 64.74 1aqx n VAL 35 Cb 0.62 -1.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.13 1aqx n VAL 35 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1aqx n GLU 36 N -1.82 0.63 -0.06 5.55 2.13 -1.26 -3.10 120.64 122.71 1aqx n GLU 36 Ca 0.01 0.03 -0.11 0.00 0.66 0.00 0.00 57.16 57.75 1aqx n GLU 36 Cb 0.11 -1.70 -0.15 0.00 0.27 0.00 0.00 31.44 29.97 1aqx n GLU 36 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1aqx n THR 37 N -2.59 1.54 0.16 6.31 -1.04 0.12 -3.78 114.28 114.99 1aqx n THR 37 Ca -0.06 -0.78 0.10 0.00 -2.04 0.00 0.00 64.05 61.27 1aqx n THR 37 Cb 0.67 -0.94 0.07 0.00 -1.82 0.00 0.00 70.33 68.31 1aqx n THR 37 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1aqx h TRP 38 N 0.01 0.00 -0.01 -1.42 2.91 0.14 -2.98 115.95 114.61 1aqx h TRP 38 Ca -0.42 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.60 1aqx h TRP 38 Cb 2.09 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.74 1aqx h TRP 38 CO 0.01 0.10 -0.10 1.04 -1.03 0.00 0.00 178.44 178.46 1aqx n GLN 39 N -2.95 0.98 0.13 2.65 6.02 -1.18 -2.73 117.38 120.30 1aqx n GLN 39 Ca 0.01 -0.42 0.13 0.00 -0.01 0.00 0.00 57.00 56.71 1aqx n GLN 39 Cb 0.58 -1.49 0.41 0.00 1.02 0.00 0.00 30.24 30.76 1aqx n GLN 39 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1aqx h GLU 40 N 1.03 0.00 0.00 -1.09 -0.00 -1.61 -3.48 114.58 109.42 1aqx h GLU 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1aqx h GLU 40 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 1aqx h GLU 40 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 1aqx n GLY 41 N 0.98 2.09 0.12 1.06 0.00 -1.10 -4.85 105.19 103.49 1aqx n GLY 41 Ca 0.05 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.65 1aqx n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqx n SER 42 N 3.74 0.16 0.05 1.61 3.41 -1.26 -0.31 113.62 121.01 1aqx n SER 42 Ca 0.00 0.38 0.03 0.00 -0.26 0.00 0.00 58.87 59.02 1aqx n SER 42 Cb 0.00 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1aqx n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1aqx n LEU 43 N -1.74 0.81 0.02 1.04 4.32 -1.26 -3.84 117.00 116.34 1aqx n LEU 43 Ca -0.00 0.34 0.11 0.00 -0.02 0.00 0.00 56.01 56.44 1aqx n LEU 43 Cb 0.44 0.05 -0.11 0.00 -1.62 0.00 0.00 43.42 42.18 1aqx n LEU 43 CO 0.03 0.06 -0.45 1.17 -1.22 0.00 0.00 177.39 176.98 1aqx n LYS 44 N -2.81 0.57 0.06 3.23 4.81 0.57 -3.76 118.16 120.84 1aqx n LYS 44 Ca -0.08 -0.09 0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1aqx n LYS 44 Cb 0.76 -1.60 0.40 0.00 0.02 0.00 0.00 35.03 34.60 1aqx n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1aqx n ALA 45 N -2.15 2.52 0.51 3.14 0.00 -0.94 -3.11 120.51 120.48 1aqx n ALA 45 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1aqx n ALA 45 Cb 0.54 -1.38 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1aqx n ALA 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aqx n SER 46 N -2.00 2.63 -4.91 0.00 3.41 -1.25 -4.95 113.62 106.56 1aqx n SER 46 Ca 0.05 -1.77 -0.28 0.00 -0.26 0.00 0.00 58.87 56.61 1aqx n SER 46 Cb 0.40 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1aqx n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqx h LEU 48 N -0.36 0.00 -0.86 0.00 5.85 -1.89 -3.32 115.31 114.73 1aqx h LEU 48 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1aqx h LEU 48 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1aqx h LEU 48 CO 0.62 0.16 0.00 -1.22 -0.34 0.00 0.00 178.44 177.66 1aqx n TYR 49 N -3.18 0.00 -2.28 1.25 4.01 -1.26 -5.00 117.16 110.70 1aqx n TYR 49 Ca 0.02 -0.07 -0.01 0.00 -0.16 0.00 0.00 57.90 57.69 1aqx n TYR 49 Cb 0.53 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1aqx n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aqx n GLY 50 N -0.07 0.64 3.72 2.72 0.00 -1.25 -5.05 105.19 105.91 1aqx n GLY 50 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1aqx n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqx s GLN 51 N -4.55 1.79 0.36 1.61 -0.21 -1.26 -4.98 119.66 112.42 1aqx s GLN 51 Ca 0.01 -1.23 0.07 0.00 0.02 0.00 0.00 55.36 54.24 1aqx s GLN 51 Cb -0.00 0.55 -0.07 0.00 1.00 0.00 0.00 33.01 34.49 1aqx s GLN 51 CO 0.01 -0.79 -0.03 -0.51 -2.12 0.00 0.00 175.29 171.84 1aqx s LEU 52 N -3.01 2.68 0.58 2.90 1.43 -1.26 -4.73 118.68 117.26 1aqx s LEU 52 Ca 0.18 -1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.85 1aqx s LEU 52 Cb -0.03 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 1aqx s LEU 52 CO 0.10 -0.37 1.01 -2.16 0.23 0.00 0.00 176.35 175.16 1aqx s PRO 53 N -3.70 3.68 0.36 1.29 0.04 -1.26 -4.95 135.00 130.46 1aqx s PRO 53 Ca 0.33 0.90 0.08 0.00 0.04 0.00 0.00 61.00 62.35 1aqx s PRO 53 Cb 0.06 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1aqx s PRO 53 CO 0.16 -0.50 0.22 0.21 0.04 0.00 0.00 177.00 177.13 1aqx s LYS 54 N -4.56 2.47 0.09 4.56 2.20 -0.60 -3.96 119.74 119.92 1aqx s LYS 54 Ca 0.58 -1.51 -0.25 0.00 -0.36 0.00 0.00 55.97 54.43 1aqx s LYS 54 Cb -0.11 -2.26 0.07 0.00 -1.51 0.00 0.00 37.83 34.01 1aqx s LYS 54 CO 0.42 0.04 0.60 0.12 -0.36 0.00 0.00 175.35 176.18 1aqx s PHE 55 N -2.42 -0.54 0.04 4.03 5.36 -0.22 -2.48 117.98 121.76 1aqx s PHE 55 Ca 0.40 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 1aqx s PHE 55 Cb -0.03 0.48 -0.02 0.00 -0.34 0.00 0.00 43.02 43.11 1aqx s PHE 55 CO 0.24 -0.75 0.05 -0.65 -1.46 0.00 0.00 175.22 172.66 1aqx s GLN 56 N -2.87 0.58 0.00 10.12 -0.21 -0.87 -0.46 119.66 125.95 1aqx s GLN 56 Ca -0.03 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.47 1aqx s GLN 56 Cb -0.01 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.22 1aqx s GLN 56 CO -0.05 -0.13 0.76 -3.47 -2.12 0.00 0.00 175.29 170.27 1aqx n ASP 57 N 0.62 1.19 0.00 5.90 -0.08 -0.99 -2.58 116.55 120.61 1aqx n ASP 57 Ca -0.18 -1.56 0.00 0.00 -1.51 0.00 0.00 54.79 51.54 1aqx n ASP 57 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1aqx n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1aqx n GLY 58 N -0.28 0.45 0.21 0.27 0.00 -1.26 -4.77 105.19 99.82 1aqx n GLY 58 Ca 0.00 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1aqx n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1aqx h ASP 59 N 0.00 0.00 -3.29 1.61 1.82 -1.99 -3.44 116.42 111.13 1aqx h ASP 59 Ca 0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.05 1aqx h ASP 59 Cb 0.00 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 39.92 1aqx h ASP 59 CO 0.00 0.09 0.45 -0.22 -1.61 0.00 0.00 179.24 177.95 1aqx s LEU 60 N -6.27 4.09 0.42 2.28 2.96 -1.26 -5.03 118.68 115.86 1aqx s LEU 60 Ca 0.06 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 1aqx s LEU 60 Cb 0.06 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.56 1aqx s LEU 60 CO 0.67 -0.49 0.62 -0.89 -1.32 0.00 0.00 176.35 174.94 1aqx s THR 61 N 2.73 4.23 0.17 3.68 2.01 -1.26 -2.36 115.64 124.85 1aqx s THR 61 Ca 0.35 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 1aqx s THR 61 Cb -0.15 -3.55 0.05 0.00 0.01 0.00 0.00 72.50 68.86 1aqx s THR 61 CO 0.08 -0.36 0.57 -0.76 -0.69 0.00 0.00 174.62 173.46 1aqx s LEU 62 N -4.46 -0.30 0.26 4.42 1.43 0.39 -4.94 118.68 115.48 1aqx s LEU 62 Ca 0.46 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1aqx s LEU 62 Cb -0.10 2.43 -0.02 0.00 0.03 0.00 0.00 46.19 48.53 1aqx s LEU 62 CO 0.37 -1.00 0.31 -0.31 0.23 0.00 0.00 176.35 175.95 1aqx s TYR 63 N -3.79 0.98 0.03 0.29 1.51 -1.26 -1.06 117.35 114.06 1aqx s TYR 63 Ca 0.03 -1.21 0.00 0.00 -1.01 0.00 0.00 57.07 54.89 1aqx s TYR 63 Cb -0.01 -0.27 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 1aqx s TYR 63 CO -0.10 -0.87 0.00 1.04 -1.11 0.00 0.00 175.55 174.52 1aqx n GLN 64 N -0.40 -1.69 0.26 -0.62 1.13 -1.25 -4.57 117.38 110.24 1aqx n GLN 64 Ca 0.01 1.55 0.12 0.00 -1.94 0.00 0.00 57.00 56.75 1aqx n GLN 64 Cb 0.64 -1.61 0.71 0.00 0.11 0.00 0.00 30.24 30.08 1aqx n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1aqx h SER 65 N 1.34 0.00 1.31 1.08 4.64 -1.89 -2.01 113.55 118.02 1aqx h SER 65 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1aqx h SER 65 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1aqx h SER 65 CO 0.00 0.12 -0.71 0.78 -0.87 0.00 0.00 176.83 176.15 1aqx h ASN 66 N 0.00 0.00 0.82 4.97 4.21 -1.92 -2.88 115.58 120.77 1aqx h ASN 66 Ca -0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 1aqx h ASN 66 Cb 0.34 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1aqx h ASN 66 CO 0.02 0.26 -0.84 0.74 -1.29 0.00 0.00 177.43 176.31 1aqx h THR 67 N 0.00 1.60 0.00 2.81 2.02 -1.64 -1.68 112.91 116.02 1aqx h THR 67 Ca -0.04 -2.86 -0.05 0.00 0.77 0.00 0.00 66.41 64.24 1aqx h THR 67 Cb 1.23 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 1aqx h THR 67 CO 0.03 0.82 -0.33 0.40 0.37 0.00 0.00 175.52 176.81 1aqx h ILE 68 N 0.01 0.36 0.00 3.11 2.04 -1.44 -1.81 117.51 119.78 1aqx h ILE 68 Ca -0.01 -1.52 -0.16 0.00 1.00 0.00 0.00 64.86 64.17 1aqx h ILE 68 Cb 1.49 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 1aqx h ILE 68 CO 0.11 0.20 -0.96 -0.07 0.00 0.00 0.00 178.15 177.44 1aqx h LEU 69 N 0.00 0.00 0.00 1.44 3.38 -1.28 -2.27 115.31 116.58 1aqx h LEU 69 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1aqx h LEU 69 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1aqx h LEU 69 CO 0.03 0.67 -1.11 0.03 0.09 0.00 0.00 178.44 178.15 1aqx h ARG 70 N 0.00 0.00 0.00 1.13 3.08 -1.29 -1.28 114.38 116.02 1aqx h ARG 70 Ca -0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1aqx h ARG 70 Cb 1.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 1aqx h ARG 70 CO 0.08 0.18 -0.65 1.25 -1.07 0.00 0.00 179.97 179.76 1aqx h HIS 71 N 0.00 0.00 0.00 3.04 -0.00 -1.37 0.46 115.15 117.28 1aqx h HIS 71 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1aqx h HIS 71 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 1aqx h HIS 71 CO 0.00 0.30 -1.15 1.28 -0.00 0.00 0.00 177.93 178.36 1aqx n LEU 72 N -3.03 0.60 -0.04 0.26 4.77 -0.86 -3.11 117.00 115.59 1aqx n LEU 72 Ca -0.00 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 1aqx n LEU 72 Cb 0.67 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.57 1aqx n LEU 72 CO 0.39 0.08 0.41 1.23 -1.33 0.00 0.00 177.39 178.17 1aqx h GLY 73 N 4.56 0.06 1.86 -0.72 0.00 -0.96 -1.40 103.07 106.47 1aqx h GLY 73 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1aqx h GLY 73 CO 0.00 0.10 -0.05 -0.96 0.00 0.00 0.00 176.54 175.63 1aqx n ARG 74 N -4.60 0.03 -0.00 4.80 0.00 0.13 -0.28 116.66 116.74 1aqx n ARG 74 Ca -0.10 -0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.84 1aqx n ARG 74 Cb 0.47 -1.50 -0.11 0.00 -0.00 0.00 0.00 32.46 31.31 1aqx n ARG 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1aqx n THR 75 N -1.48 0.00 0.47 8.89 -2.24 -1.18 -4.36 114.28 114.38 1aqx n THR 75 Ca 0.07 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1aqx n THR 75 Cb 0.33 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1aqx n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aqx n LEU 76 N -1.64 0.92 -0.57 3.22 4.77 -0.53 -5.00 117.00 118.17 1aqx n LEU 76 Ca 0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1aqx n LEU 76 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1aqx n LEU 76 CO 0.37 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1aqx n GLY 77 N 1.05 0.74 0.08 -0.72 0.00 -1.02 -4.99 105.19 100.33 1aqx n GLY 77 Ca 0.03 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.61 1aqx n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aqx n LEU 78 N -0.57 1.48 -1.65 0.99 4.77 0.62 -4.80 117.00 117.83 1aqx n LEU 78 Ca 0.00 -1.80 -0.04 0.00 -0.03 0.00 0.00 56.01 54.14 1aqx n LEU 78 Cb 0.40 -0.12 0.27 0.00 -2.33 0.00 0.00 43.42 41.64 1aqx n LEU 78 CO 0.00 0.43 0.93 0.00 -1.33 0.00 0.00 177.39 177.42 1aqx n TYR 79 N -0.60 1.96 0.00 -1.77 4.19 -0.95 -2.96 117.16 117.03 1aqx n TYR 79 Ca 0.04 -1.25 0.00 0.00 3.31 0.00 0.00 57.90 60.00 1aqx n TYR 79 Cb 0.45 -0.60 0.00 0.00 0.49 0.00 0.00 39.34 39.69 1aqx n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1aqx n GLY 80 N -0.46 2.57 0.01 2.98 0.00 -1.26 -4.35 105.19 104.68 1aqx n GLY 80 Ca 0.37 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.60 1aqx n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aqx n LYS 81 N 1.04 0.15 -3.93 1.61 2.85 -1.26 -4.92 118.16 113.69 1aqx n LYS 81 Ca 0.00 -0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 1aqx n LYS 81 Cb 0.00 -1.53 -0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1aqx n LYS 81 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1aqx s ASP 82 N -3.43 0.47 0.34 -5.58 1.47 -1.26 -5.05 116.67 103.63 1aqx s ASP 82 Ca 0.06 -1.34 0.15 0.00 1.18 0.00 0.00 52.55 52.60 1aqx s ASP 82 Cb 0.16 0.78 0.57 0.00 -0.34 0.00 0.00 42.92 44.09 1aqx s ASP 82 CO 0.82 -1.55 1.70 1.56 0.68 0.00 0.00 175.17 178.37 1aqx h GLN 83 N 2.03 0.00 0.00 2.11 4.20 -1.94 -0.79 115.11 120.72 1aqx h GLN 83 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1aqx h GLN 83 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1aqx h GLN 83 CO 0.40 0.46 -0.91 0.37 -0.67 0.00 0.00 178.83 178.49 1aqx h GLN 84 N 0.00 0.00 0.00 1.46 4.15 -1.98 -2.63 115.11 116.10 1aqx h GLN 84 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1aqx h GLN 84 Cb 0.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1aqx h GLN 84 CO 0.06 0.00 -1.07 -1.91 -1.93 0.00 0.00 178.83 173.98 1aqx n GLU 85 N -2.52 0.53 0.19 1.69 2.13 -1.19 -2.07 120.64 119.40 1aqx n GLU 85 Ca 0.01 0.07 0.12 0.00 0.66 0.00 0.00 57.16 58.01 1aqx n GLU 85 Cb 0.52 -1.74 0.15 0.00 0.27 0.00 0.00 31.44 30.64 1aqx n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1aqx h ALA 86 N 2.14 0.91 0.00 4.31 0.00 -1.06 -2.52 119.26 123.03 1aqx h ALA 86 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1aqx h ALA 86 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1aqx h ALA 86 CO 0.00 0.00 -1.73 0.00 0.00 0.00 0.00 179.25 177.52 1aqx n ALA 87 N -2.10 2.55 1.34 0.00 0.00 -1.00 -3.22 120.51 118.08 1aqx n ALA 87 Ca 0.03 -0.52 0.15 0.00 0.00 0.00 0.00 53.44 53.10 1aqx n ALA 87 Cb 0.53 -0.81 0.70 0.00 0.00 0.00 0.00 19.45 19.87 1aqx n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1aqx n LEU 88 N -2.46 0.07 -0.08 0.00 7.99 -0.88 -2.28 117.00 119.36 1aqx n LEU 88 Ca -0.06 0.28 -0.12 0.00 -0.01 0.00 0.00 56.01 56.10 1aqx n LEU 88 Cb 0.64 -0.31 -0.15 0.00 -0.11 0.00 0.00 43.42 43.49 1aqx n LEU 88 CO 0.44 0.01 -1.03 0.52 -1.51 0.00 0.00 177.39 175.82 1aqx n VAL 89 N -1.29 1.48 0.26 4.08 0.31 -0.96 -3.87 118.33 118.35 1aqx n VAL 89 Ca 0.13 -0.78 0.15 0.00 -0.01 0.00 0.00 64.34 63.83 1aqx n VAL 89 Cb 0.27 -0.85 0.51 0.00 -0.91 0.00 0.00 33.84 32.85 1aqx n VAL 89 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1aqx h ASP 90 N 0.01 0.00 1.44 4.52 3.32 -1.49 -1.45 116.42 122.77 1aqx h ASP 90 Ca -0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 1aqx h ASP 90 Cb 2.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.66 1aqx h ASP 90 CO 0.02 0.00 -0.57 -0.03 -1.72 0.00 0.00 179.24 176.94 1aqx h MET 91 N 0.00 0.00 0.00 3.56 4.05 -1.59 -1.99 114.93 118.95 1aqx h MET 91 Ca 0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1aqx h MET 91 Cb 0.68 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1aqx h MET 91 CO 0.00 0.42 -1.51 0.28 0.23 0.00 0.00 176.91 176.33 1aqx n VAL 92 N -3.16 0.67 0.03 -5.77 0.31 -0.96 -3.51 118.33 105.94 1aqx n VAL 92 Ca 0.01 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 1aqx n VAL 92 Cb 0.72 -0.36 -0.13 0.00 -0.91 0.00 0.00 33.84 33.16 1aqx n VAL 92 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1aqx h ASN 93 N 0.00 0.05 1.16 4.52 -0.73 -1.28 -2.46 115.58 116.83 1aqx h ASN 93 Ca -0.09 -0.06 -0.11 0.00 1.87 0.00 0.00 56.30 57.91 1aqx h ASN 93 Cb 1.27 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 1aqx h ASN 93 CO 0.01 1.05 -0.50 0.44 -0.37 0.00 0.00 177.43 178.06 1aqx h ASP 94 N 0.01 0.00 0.76 1.15 3.32 -1.50 -1.81 116.42 118.36 1aqx h ASP 94 Ca -0.15 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.65 1aqx h ASP 94 Cb 1.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.43 1aqx h ASP 94 CO 0.11 0.50 -1.24 1.23 -1.72 0.00 0.00 179.24 178.13 1aqx h GLY 95 N 2.82 0.10 2.00 2.75 0.00 -1.62 -2.41 103.07 106.71 1aqx h GLY 95 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1aqx h GLY 95 CO 0.07 0.23 0.00 -0.62 0.00 0.00 0.00 176.54 176.22 1aqx n VAL 96 N -3.35 0.73 0.19 4.60 0.31 -0.93 -2.34 118.33 117.53 1aqx n VAL 96 Ca -0.07 0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 1aqx n VAL 96 Cb 0.99 -0.93 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 1aqx n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1aqx n GLU 97 N -2.17 0.54 0.07 5.55 4.07 -0.70 -2.62 120.64 125.39 1aqx n GLU 97 Ca 0.04 -0.01 0.07 0.00 -0.06 0.00 0.00 57.16 57.20 1aqx n GLU 97 Cb 0.30 -1.68 -0.03 0.00 -0.06 0.00 0.00 31.44 29.97 1aqx n GLU 97 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1aqx n ASP 98 N -2.37 0.84 0.09 4.31 8.00 -0.93 -1.01 116.55 125.47 1aqx n ASP 98 Ca -0.01 0.34 -0.19 0.00 0.71 0.00 0.00 54.79 55.65 1aqx n ASP 98 Cb 0.53 0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.85 1aqx n ASP 98 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1aqx h LEU 99 N 0.00 0.51 -0.01 0.64 5.85 -1.59 -2.98 115.31 117.72 1aqx h LEU 99 Ca -0.06 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1aqx h LEU 99 Cb 1.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1aqx h LEU 99 CO 0.02 1.50 0.00 -1.14 -0.34 0.00 0.00 178.44 178.48 1aqx n ARG 100 N -3.54 0.07 0.08 1.25 0.63 -1.08 -1.13 116.66 112.96 1aqx n ARG 100 Ca -0.15 0.08 0.12 0.00 -0.92 0.00 0.00 57.85 56.98 1aqx n ARG 100 Cb 1.05 -1.59 0.04 0.00 0.45 0.00 0.00 32.46 32.42 1aqx n ARG 100 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1aqx n LYS 102 N -2.46 1.60 0.19 0.00 5.02 -1.03 -3.79 118.16 117.69 1aqx n LYS 102 Ca 0.01 -0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.35 1aqx n LYS 102 Cb 0.51 -1.21 0.12 0.00 -0.02 0.00 0.00 35.03 34.43 1aqx n LYS 102 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1aqx h TYR 103 N 0.00 0.00 0.00 2.13 5.03 -1.23 -3.21 116.97 119.69 1aqx h TYR 103 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1aqx h TYR 103 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1aqx h TYR 103 CO 0.00 0.03 -0.84 0.82 -1.32 0.00 0.00 178.16 176.85 1aqx h ILE 104 N 0.00 0.00 0.00 1.81 2.04 -1.69 -3.23 117.51 116.45 1aqx h ILE 104 Ca -0.00 -0.76 -0.21 0.00 1.00 0.00 0.00 64.86 64.88 1aqx h ILE 104 Cb 1.03 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 1aqx h ILE 104 CO 0.00 0.00 -1.26 -1.28 0.00 0.00 0.00 178.15 175.61 1aqx h SER 105 N 0.00 0.00 0.98 1.72 0.87 -1.65 -3.16 113.55 112.31 1aqx h SER 105 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1aqx h SER 105 Cb 0.88 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1aqx h SER 105 CO 0.00 0.83 -1.08 0.25 -0.53 0.00 0.00 176.83 176.30 1aqx h LEU 106 N 0.00 0.00 -1.17 2.23 5.85 -1.69 0.29 115.31 120.82 1aqx h LEU 106 Ca -0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1aqx h LEU 106 Cb 1.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 1aqx h LEU 106 CO 0.08 0.82 -0.07 0.40 -0.34 0.00 0.00 178.44 179.33 1aqx h ILE 107 N 0.00 0.18 0.00 4.05 1.08 -1.64 0.52 117.51 121.70 1aqx h ILE 107 Ca -0.08 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1aqx h ILE 107 Cb 1.70 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1aqx h ILE 107 CO 0.09 0.07 0.00 -1.22 -0.69 0.00 0.00 178.15 176.40 1aqx n TYR 108 N -3.18 0.00 -0.69 1.37 4.01 -1.19 -4.70 117.16 112.78 1aqx n TYR 108 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1aqx n TYR 108 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1aqx n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1aqx n THR 109 N -0.30 0.04 -1.31 -0.72 -1.04 0.10 -4.96 114.28 106.10 1aqx n THR 109 Ca 0.00 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1aqx n THR 109 Cb 0.03 1.57 -0.00 0.00 -1.82 0.00 0.00 70.33 70.11 1aqx n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1aqx n ASN 110 N -0.02 -0.01 0.00 8.00 4.05 -1.05 -4.96 115.26 121.27 1aqx n ASN 110 Ca 0.00 -0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.01 1aqx n ASN 110 Cb 0.21 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.22 1aqx n ASN 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aqx n TYR 111 N 0.00 0.00 0.65 1.20 4.19 0.18 -0.58 117.16 122.81 1aqx n TYR 111 Ca -0.00 0.00 0.08 0.00 3.31 0.00 0.00 57.90 61.29 1aqx n TYR 111 Cb 0.16 -0.25 0.06 0.00 0.49 0.00 0.00 39.34 39.80 1aqx n TYR 111 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1aqx n GLU 112 N -1.24 1.26 0.00 2.98 4.71 -1.26 -3.96 120.64 123.13 1aqx n GLU 112 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 57.16 55.82 1aqx n GLU 112 Cb 0.24 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 1aqx n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aqx n ALA 113 N 0.73 0.84 0.00 0.62 0.00 0.26 -4.81 120.51 118.15 1aqx n ALA 113 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1aqx n ALA 113 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1aqx n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqx n GLY 114 N 0.02 0.80 0.00 0.00 0.00 -0.43 -4.67 105.19 100.90 1aqx n GLY 114 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1aqx n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aqx n LYS 115 N -0.96 0.71 0.00 1.61 4.81 -1.25 -0.59 118.16 122.49 1aqx n LYS 115 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1aqx n LYS 115 Cb 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1aqx n LYS 115 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1aqx n ASP 116 N -0.79 0.99 0.00 3.14 2.03 -1.26 -4.53 116.55 116.12 1aqx n ASP 116 Ca 0.10 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.41 1aqx n ASP 116 Cb 0.05 0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1aqx n ASP 116 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1aqx n ASP 117 N -0.29 4.39 0.10 1.67 8.00 -0.97 -4.60 116.55 124.85 1aqx n ASP 117 Ca 0.03 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.65 1aqx n ASP 117 Cb 0.13 0.67 0.45 0.00 -0.02 0.00 0.00 41.12 42.35 1aqx n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqx n TYR 118 N -1.55 0.77 0.65 1.24 4.19 0.24 -2.91 117.16 119.79 1aqx n TYR 118 Ca 0.00 0.25 0.11 0.00 3.31 0.00 0.00 57.90 61.57 1aqx n TYR 118 Cb 0.20 -0.90 -0.02 0.00 0.49 0.00 0.00 39.34 39.11 1aqx n TYR 118 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1aqx n VAL 119 N -2.15 0.09 0.92 2.97 0.31 -1.26 -3.36 118.33 115.86 1aqx n VAL 119 Ca 0.05 -0.19 0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1aqx n VAL 119 Cb 0.35 0.40 -0.02 0.00 -0.91 0.00 0.00 33.84 33.66 1aqx n VAL 119 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1aqx n LYS 120 N -1.84 1.25 -0.00 5.55 4.76 -1.17 -3.81 118.16 122.91 1aqx n LYS 120 Ca 0.02 -0.85 0.11 0.00 -2.87 0.00 0.00 58.31 54.71 1aqx n LYS 120 Cb 0.42 -1.42 0.09 0.00 -1.84 0.00 0.00 35.03 32.27 1aqx n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aqx n ALA 121 N -0.20 2.46 -0.03 7.82 0.00 -1.14 -4.49 120.51 124.94 1aqx n ALA 121 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1aqx n ALA 121 Cb 0.42 -0.71 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 1aqx n ALA 121 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1aqx h LEU 122 N 4.12 -0.03 -0.94 0.00 3.38 -1.65 -3.22 115.31 116.98 1aqx h LEU 122 Ca 0.00 -0.69 0.21 0.00 0.09 0.00 0.00 57.88 57.49 1aqx h LEU 122 Cb 0.88 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 1aqx h LEU 122 CO 0.00 0.72 -0.16 -2.65 0.09 0.00 0.00 178.44 176.44 1aqx n PRO 123 N -4.74 -0.08 0.26 1.13 -0.02 -1.26 0.23 135.00 130.50 1aqx n PRO 123 Ca -0.09 1.44 0.16 0.00 -2.02 0.00 0.00 63.50 63.00 1aqx n PRO 123 Cb 0.35 -2.20 0.64 0.00 -0.02 0.00 0.00 33.50 32.28 1aqx n PRO 123 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1aqx h GLY 124 N 0.00 0.00 1.60 -1.23 0.00 -1.87 -2.98 103.07 98.59 1aqx h GLY 124 Ca 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1aqx h GLY 124 CO -0.94 0.00 -0.57 1.46 0.00 0.00 0.00 176.54 176.49 1aqx h GLN 125 N 0.00 0.00 0.00 4.80 1.08 0.28 -3.36 115.11 117.91 1aqx h GLN 125 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aqx h GLN 125 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1aqx h GLN 125 CO 0.00 0.15 -1.36 1.28 -0.95 0.00 0.00 178.83 177.96 1aqx n LEU 126 N -2.99 0.54 -0.23 1.46 4.32 -0.89 -4.44 117.00 114.77 1aqx n LEU 126 Ca 0.01 -0.29 0.03 0.00 -0.02 0.00 0.00 56.01 55.73 1aqx n LEU 126 Cb 0.62 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.57 1aqx n LEU 126 CO 0.38 0.14 0.99 0.50 -1.22 0.00 0.00 177.39 178.18 1aqx h LYS 127 N 0.00 0.40 -0.39 3.23 3.64 -1.67 -0.73 116.57 121.06 1aqx h LYS 127 Ca 0.00 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1aqx h LYS 127 Cb 0.67 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 1aqx h LYS 127 CO 0.00 0.27 -0.12 -1.00 -2.27 0.00 0.00 179.45 176.32 1aqx h PRO 128 N 0.41 -0.03 0.00 1.90 0.13 -1.80 0.44 132.00 133.06 1aqx h PRO 128 Ca 0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.47 1aqx h PRO 128 Cb 0.50 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1aqx h PRO 128 CO -0.36 -0.02 -0.08 0.74 -0.23 0.00 0.00 178.00 178.04 1aqx h PHE 129 N -0.03 0.00 0.00 1.56 0.04 -1.44 -0.14 116.94 116.93 1aqx h PHE 129 Ca 0.19 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 1aqx h PHE 129 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1aqx h PHE 129 CO -0.37 0.08 -0.97 1.49 -0.60 0.00 0.00 178.31 177.94 1aqx h GLU 130 N 0.00 0.00 0.00 1.51 4.57 -0.12 -3.26 114.58 117.28 1aqx h GLU 130 Ca -0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 1aqx h GLU 130 Cb 0.23 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 1aqx h GLU 130 CO 0.01 0.13 -0.90 1.15 -1.18 0.00 0.00 179.01 178.22 1aqx h THR 131 N 0.00 1.59 0.00 0.32 2.02 0.14 -2.87 112.91 114.11 1aqx h THR 131 Ca -0.05 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.00 1aqx h THR 131 Cb 1.21 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 1aqx h THR 131 CO 0.02 0.88 0.00 -0.07 0.37 0.00 0.00 175.52 176.72 1aqx h LEU 132 N 0.00 0.00 0.16 2.58 3.38 -1.16 -1.23 115.31 119.05 1aqx h LEU 132 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 1aqx h LEU 132 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1aqx h LEU 132 CO 0.12 0.00 -1.77 -0.07 0.09 0.00 0.00 178.44 176.80 1aqx h LEU 133 N 0.00 0.54 -0.79 1.67 3.38 -1.59 -3.10 115.31 115.42 1aqx h LEU 133 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1aqx h LEU 133 Cb 0.86 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1aqx h LEU 133 CO 0.00 1.74 0.00 0.77 0.09 0.00 0.00 178.44 181.04 1aqx h SER 134 N 0.09 0.00 -0.53 -0.43 4.64 -1.47 0.41 113.55 116.26 1aqx h SER 134 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1aqx h SER 134 Cb 2.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 1aqx h SER 134 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 1aqx n GLN 135 N -2.70 2.26 -3.70 4.77 6.02 -0.47 -4.41 117.38 119.15 1aqx n GLN 135 Ca 0.02 -1.92 -0.11 0.00 -0.01 0.00 0.00 57.00 54.98 1aqx n GLN 135 Cb 0.33 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 1aqx n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1aqx s ASN 136 N -0.99 -0.54 0.00 1.08 2.47 -0.75 -4.91 114.94 111.30 1aqx s ASN 136 Ca 0.36 0.96 0.00 0.00 0.42 0.00 0.00 52.86 54.60 1aqx s ASN 136 Cb 0.19 0.91 0.00 0.00 -1.45 0.00 0.00 41.25 40.89 1aqx s ASN 136 CO 0.24 -0.18 0.00 0.00 -3.72 0.00 0.00 177.10 173.44 1aqx n GLN 137 N 3.58 -0.78 -0.41 0.43 1.13 -1.26 0.88 117.38 120.96 1aqx n GLN 137 Ca -0.18 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1aqx n GLN 137 Cb 0.56 -2.68 0.00 0.00 0.11 0.00 0.00 30.24 28.24 1aqx n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqx n GLY 138 N 0.10 0.88 1.58 1.08 0.00 -1.25 -3.68 105.19 103.90 1aqx n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aqx n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqx n GLY 139 N -2.00 0.70 0.24 -0.02 0.00 0.25 -4.56 105.19 99.81 1aqx n GLY 139 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1aqx n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqx n LYS 140 N -2.52 1.08 0.00 1.61 4.76 -1.24 -4.84 118.16 117.02 1aqx n LYS 140 Ca 0.00 -0.49 0.00 0.00 -2.87 0.00 0.00 58.31 54.95 1aqx n LYS 140 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1aqx n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aqx n THR 141 N -0.53 0.00 -2.42 -0.18 -2.24 -1.26 -5.13 114.28 102.52 1aqx n THR 141 Ca 0.17 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.70 1aqx n THR 141 Cb 0.29 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1aqx n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aqx s PHE 142 N 3.97 2.02 0.38 4.78 0.40 -1.26 -4.98 117.98 123.29 1aqx s PHE 142 Ca 0.00 -0.01 0.20 0.00 -0.60 0.00 0.00 56.93 56.52 1aqx s PHE 142 Cb 0.00 -3.17 1.10 0.00 0.51 0.00 0.00 43.02 41.46 1aqx s PHE 142 CO 0.00 -1.68 1.96 0.97 0.70 0.00 0.00 175.22 177.17 1aqx h ILE 143 N -0.63 0.87 -4.00 0.64 6.09 -1.94 -3.43 117.51 115.11 1aqx h ILE 143 Ca -0.40 -0.83 -0.20 0.00 -1.37 0.00 0.00 64.86 62.06 1aqx h ILE 143 Cb 1.28 1.49 -0.19 0.00 0.47 0.00 0.00 36.82 39.86 1aqx h ILE 143 CO 0.45 0.21 -0.71 -0.69 -3.07 0.00 0.00 178.15 174.35 1aqx s VAL 144 N -4.21 0.35 0.00 2.19 1.01 -1.26 -4.69 120.40 113.79 1aqx s VAL 144 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1aqx s VAL 144 Cb 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1aqx s VAL 144 CO 0.65 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1aqx n GLY 145 N 1.03 0.10 0.93 4.51 0.00 -1.26 -4.03 105.19 106.47 1aqx n GLY 145 Ca -0.20 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1aqx n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aqx n ASP 146 N -3.69 3.02 -4.51 1.61 5.68 -1.26 -4.20 116.55 113.19 1aqx n ASP 146 Ca 0.00 -1.90 -0.24 0.00 -0.50 0.00 0.00 54.79 52.15 1aqx n ASP 146 Cb 0.00 -0.13 -0.10 0.00 -1.14 0.00 0.00 41.12 39.75 1aqx n ASP 146 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1aqx s GLN 147 N -1.48 1.80 0.79 0.11 -0.21 -1.26 -4.78 119.66 114.63 1aqx s GLN 147 Ca 0.30 -1.76 -0.11 0.00 0.02 0.00 0.00 55.36 53.81 1aqx s GLN 147 Cb 0.19 -1.81 0.07 0.00 1.00 0.00 0.00 33.01 32.45 1aqx s GLN 147 CO 0.27 0.29 1.09 -1.50 -2.12 0.00 0.00 175.29 173.32 1aqx s ILE 148 N -2.51 3.21 0.28 1.08 2.07 -1.26 -4.72 121.20 119.36 1aqx s ILE 148 Ca 0.31 0.39 -0.15 0.00 -1.41 0.00 0.00 60.65 59.79 1aqx s ILE 148 Cb -0.04 -3.07 0.01 0.00 0.13 0.00 0.00 42.46 39.49 1aqx s ILE 148 CO 0.16 -0.52 0.59 -0.94 -1.91 0.00 0.00 174.94 172.33 1aqx s SER 149 N -3.75 -0.07 0.33 4.50 1.04 -1.26 -4.58 113.70 109.91 1aqx s SER 149 Ca 0.61 -0.88 0.26 0.00 0.48 0.00 0.00 55.95 56.42 1aqx s SER 149 Cb -0.15 0.67 0.99 0.00 0.10 0.00 0.00 66.02 67.62 1aqx s SER 149 CO 0.55 -1.28 1.78 2.19 0.98 0.00 0.00 173.24 177.46 1aqx h PHE 150 N 2.13 0.00 0.00 5.02 -5.15 -1.83 -0.02 116.94 117.09 1aqx h PHE 150 Ca -0.24 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.43 1aqx h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 1aqx h PHE 150 CO 0.57 0.00 -0.48 0.00 -2.00 0.00 0.00 178.31 176.41 1aqx h ALA 151 N 2.24 0.91 0.00 12.09 0.00 -1.87 -2.53 119.26 130.11 1aqx h ALA 151 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1aqx h ALA 151 Cb 0.52 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1aqx h ALA 151 CO 0.00 0.60 -0.57 -0.44 0.00 0.00 0.00 179.25 178.83 1aqx h ASP 152 N 0.00 0.00 0.97 0.00 3.32 -1.40 -2.00 116.42 117.31 1aqx h ASP 152 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aqx h ASP 152 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1aqx h ASP 152 CO 0.06 0.56 -0.35 -1.22 -1.72 0.00 0.00 179.24 176.58 1aqx n TYR 153 N -3.24 0.46 -0.06 4.55 4.01 -0.98 -2.93 117.16 118.97 1aqx n TYR 153 Ca 0.02 0.13 -0.02 0.00 -0.16 0.00 0.00 57.90 57.87 1aqx n TYR 153 Cb 0.76 -0.63 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 1aqx n TYR 153 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1aqx n ASN 154 N -1.94 0.07 0.12 7.72 4.05 -0.98 -3.63 115.26 120.67 1aqx n ASN 154 Ca 0.05 0.03 0.03 0.00 0.45 0.00 0.00 54.58 55.14 1aqx n ASN 154 Cb 0.40 1.27 0.01 0.00 1.23 0.00 0.00 39.78 42.69 1aqx n ASN 154 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1aqx h LEU 155 N 0.00 0.00 -0.17 1.20 5.85 -1.44 -2.27 115.31 118.48 1aqx h LEU 155 Ca -0.33 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.16 1aqx h LEU 155 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1aqx h LEU 155 CO 0.02 0.44 -0.94 0.25 -0.34 0.00 0.00 178.44 177.87 1aqx h LEU 156 N 0.00 0.55 -0.79 2.25 5.85 -1.70 -1.47 115.31 119.99 1aqx h LEU 156 Ca -0.04 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1aqx h LEU 156 Cb 1.37 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1aqx h LEU 156 CO 0.05 1.24 -0.22 -0.78 -0.34 0.00 0.00 178.44 178.39 1aqx h ASP 157 N 0.24 0.00 1.79 1.25 1.82 -1.61 -0.12 116.42 119.79 1aqx h ASP 157 Ca -0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 1aqx h ASP 157 Cb 1.58 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 1aqx h ASP 157 CO 0.16 0.22 -0.12 0.25 -1.61 0.00 0.00 179.24 178.15 1aqx h LEU 158 N 0.00 0.00 0.00 2.28 5.85 -1.14 -3.03 115.31 119.26 1aqx h LEU 158 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1aqx h LEU 158 Cb 0.87 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1aqx h LEU 158 CO 0.03 0.12 -1.07 0.18 -0.34 0.00 0.00 178.44 177.36 1aqx n LEU 159 N -3.14 0.63 0.11 2.25 4.77 -0.54 -3.49 117.00 117.61 1aqx n LEU 159 Ca 0.03 -0.13 0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1aqx n LEU 159 Cb 0.56 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1aqx n LEU 159 CO 0.35 0.10 0.16 -0.07 -1.33 0.00 0.00 177.39 176.59 1aqx h LEU 160 N 0.00 0.00 0.00 2.23 4.07 -0.99 -3.24 115.31 117.38 1aqx h LEU 160 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1aqx h LEU 160 Cb 0.68 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1aqx h LEU 160 CO 0.00 0.24 -1.23 2.30 -1.08 0.00 0.00 178.44 178.68 1aqx n ILE 161 N -2.91 0.77 0.57 1.22 -5.35 -1.15 -3.53 119.36 108.98 1aqx n ILE 161 Ca -0.02 -0.60 0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1aqx n ILE 161 Cb 0.66 -0.44 0.17 0.00 -1.74 0.00 0.00 39.64 38.29 1aqx n ILE 161 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1aqx n HIS 162 N -2.72 0.56 1.16 4.28 8.25 -1.23 -1.98 115.22 123.55 1aqx n HIS 162 Ca -0.04 0.16 0.12 0.00 -0.26 0.00 0.00 57.72 57.70 1aqx n HIS 162 Cb 0.65 -0.66 0.62 0.00 1.12 0.00 0.00 29.99 31.72 1aqx n HIS 162 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1aqx n GLU 163 N -2.11 0.36 -0.00 -0.41 2.13 -1.22 -0.55 120.64 118.84 1aqx n GLU 163 Ca 0.03 0.05 0.05 0.00 0.66 0.00 0.00 57.16 57.96 1aqx n GLU 163 Cb 0.44 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 1aqx n GLU 163 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1aqx n VAL 164 N -1.27 0.00 -0.06 6.31 0.31 -0.84 -3.50 118.33 119.27 1aqx n VAL 164 Ca 0.12 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1aqx n VAL 164 Cb 0.19 0.45 -0.15 0.00 -0.91 0.00 0.00 33.84 33.42 1aqx n VAL 164 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1aqx n LEU 165 N -1.70 0.00 -3.07 7.52 7.94 -0.97 -4.64 117.00 122.08 1aqx n LEU 165 Ca -0.01 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.72 1aqx n LEU 165 Cb 0.24 0.29 -0.01 0.00 0.53 0.00 0.00 43.42 44.46 1aqx n LEU 165 CO 0.21 0.29 -0.11 0.00 -1.11 0.00 0.00 177.39 176.67 1aqx n ALA 166 N -2.51 1.30 -1.58 1.96 0.00 0.28 -5.09 120.51 114.88 1aqx n ALA 166 Ca -0.20 -2.88 -0.50 0.00 0.00 0.00 0.00 53.44 49.86 1aqx n ALA 166 Cb 0.89 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 1aqx n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1aqx n PRO 167 N 0.70 1.18 -1.14 0.00 -0.02 -1.23 -1.76 135.00 132.73 1aqx n PRO 167 Ca 0.19 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1aqx n PRO 167 Cb 0.63 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1aqx n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqx n GLY 168 N 2.18 1.07 0.02 -1.23 0.00 -1.26 -4.96 105.19 101.02 1aqx n GLY 168 Ca 0.16 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1aqx n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqx n LEU 170 N -1.82 2.81 0.00 0.00 4.77 -1.26 -4.50 117.00 117.00 1aqx n LEU 170 Ca 0.03 -1.21 0.05 0.00 -0.03 0.00 0.00 56.01 54.86 1aqx n LEU 170 Cb 0.40 -0.08 0.24 0.00 -2.33 0.00 0.00 43.42 41.65 1aqx n LEU 170 CO 0.40 0.54 0.67 0.47 -1.33 0.00 0.00 177.39 178.14 1aqx n ASP 171 N 1.12 0.00 -0.26 -1.43 8.00 -1.26 -1.51 116.55 121.21 1aqx n ASP 171 Ca 0.13 0.46 0.03 0.00 0.71 0.00 0.00 54.79 56.12 1aqx n ASP 171 Cb 0.50 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1aqx n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqx n ALA 172 N -1.48 2.50 -3.56 2.24 0.00 -1.26 -4.74 120.51 114.21 1aqx n ALA 172 Ca 0.03 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 1aqx n ALA 172 Cb 0.12 -0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1aqx n ALA 172 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1aqx n PHE 173 N 0.32 3.54 -0.14 0.00 3.72 -0.57 -4.99 117.46 119.35 1aqx n PHE 173 Ca 0.04 -4.03 -0.04 0.00 -0.05 0.00 0.00 57.45 53.37 1aqx n PHE 173 Cb 0.17 -0.79 -0.04 0.00 -0.94 0.00 0.00 39.48 37.88 1aqx n PHE 173 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1aqx h PRO 174 N 5.06 -0.02 -0.07 -1.08 0.13 -1.85 -0.18 132.00 133.99 1aqx h PRO 174 Ca 0.18 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1aqx h PRO 174 Cb 0.71 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1aqx h PRO 174 CO 0.86 -0.02 0.11 -0.07 -0.23 0.00 0.00 178.00 178.66 1aqx h LEU 175 N -0.02 0.00 0.00 1.56 3.38 -1.93 0.49 115.31 118.78 1aqx h LEU 175 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1aqx h LEU 175 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1aqx h LEU 175 CO -0.33 0.00 -0.37 0.18 0.09 0.00 0.00 178.44 178.01 1aqx n LEU 176 N -3.58 0.75 0.02 1.67 4.77 -0.23 -2.08 117.00 118.32 1aqx n LEU 176 Ca -0.01 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1aqx n LEU 176 Cb 0.20 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1aqx n LEU 176 CO 0.25 -0.11 -0.48 -1.20 -1.33 0.00 0.00 177.39 174.52 1aqx n SER 177 N -2.18 0.45 0.02 -1.43 7.64 0.16 -3.22 113.62 115.06 1aqx n SER 177 Ca 0.04 0.19 0.11 0.00 1.01 0.00 0.00 58.87 60.22 1aqx n SER 177 Cb 0.44 0.97 0.08 0.00 -1.01 0.00 0.00 64.21 64.69 1aqx n SER 177 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqx n ALA 178 N -2.34 3.63 0.04 -0.43 0.00 -0.31 -4.05 120.51 117.04 1aqx n ALA 178 Ca -0.08 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.01 1aqx n ALA 178 Cb 0.71 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 1aqx n ALA 178 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aqx n TYR 179 N -1.75 0.65 1.36 0.00 9.36 -0.88 -2.69 117.16 123.21 1aqx n TYR 179 Ca 0.03 0.20 0.14 0.00 3.32 0.00 0.00 57.90 61.59 1aqx n TYR 179 Cb 0.39 -0.88 0.48 0.00 -0.63 0.00 0.00 39.34 38.69 1aqx n TYR 179 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1aqx n VAL 180 N -2.64 0.00 -0.02 2.97 0.24 -1.20 -2.83 118.33 114.85 1aqx n VAL 180 Ca -0.06 -0.14 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1aqx n VAL 180 Cb 0.69 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 1aqx n VAL 180 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aqx n GLY 181 N 1.28 -0.39 0.20 7.63 0.00 -1.25 -3.97 105.19 108.68 1aqx n GLY 181 Ca 0.15 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1aqx n GLY 181 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aqx h ARG 182 N 0.00 0.00 0.00 1.61 2.43 -1.56 -1.99 114.38 114.87 1aqx h ARG 182 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1aqx h ARG 182 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1aqx h ARG 182 CO 0.01 0.16 -1.22 -0.11 -1.51 0.00 0.00 179.97 177.30 1aqx n LEU 183 N -3.15 0.56 0.00 3.80 7.94 -1.13 -3.59 117.00 121.43 1aqx n LEU 183 Ca 0.03 -0.07 0.11 0.00 -1.11 0.00 0.00 56.01 54.97 1aqx n LEU 183 Cb 0.57 -0.06 0.01 0.00 0.53 0.00 0.00 43.42 44.47 1aqx n LEU 183 CO 0.36 0.05 0.12 -1.20 -1.11 0.00 0.00 177.39 175.61 1aqx n SER 184 N -2.00 0.82 0.07 1.96 7.64 -1.18 -3.65 113.62 117.28 1aqx n SER 184 Ca 0.01 -0.73 0.12 0.00 1.01 0.00 0.00 58.87 59.28 1aqx n SER 184 Cb 0.45 0.74 0.05 0.00 -1.01 0.00 0.00 64.21 64.45 1aqx n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqx n ALA 185 N -1.51 2.84 -1.62 -0.43 0.00 -0.76 -3.79 120.51 115.25 1aqx n ALA 185 Ca 0.04 -0.28 -0.48 0.00 0.00 0.00 0.00 53.44 52.72 1aqx n ALA 185 Cb 0.33 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 1aqx n ALA 185 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1aqx n ARG 186 N -2.33 1.93 -0.03 0.00 0.63 -1.24 -4.67 116.66 110.95 1aqx n ARG 186 Ca 0.01 0.66 -0.01 0.00 -0.92 0.00 0.00 57.85 57.60 1aqx n ARG 186 Cb 0.49 -2.70 -0.01 0.00 0.45 0.00 0.00 32.46 30.70 1aqx n ARG 186 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1aqx n PRO 187 N 7.29 -0.03 0.00 -0.14 -0.02 -1.26 0.02 135.00 140.86 1aqx n PRO 187 Ca 0.27 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1aqx n PRO 187 Cb 0.30 -0.30 0.76 0.00 -0.02 0.00 0.00 33.50 34.25 1aqx n PRO 187 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1aqx n LYS 188 N -2.90 0.76 -0.03 -0.52 4.01 -1.26 -2.77 118.16 115.45 1aqx n LYS 188 Ca 0.00 -0.13 0.06 0.00 -0.51 0.00 0.00 58.31 57.73 1aqx n LYS 188 Cb 0.02 -1.50 -0.17 0.00 -0.51 0.00 0.00 35.03 32.87 1aqx n LYS 188 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1aqx n LEU 189 N -1.01 0.00 0.03 -0.35 7.94 0.10 -3.47 117.00 120.24 1aqx n LEU 189 Ca 0.18 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.20 1aqx n LEU 189 Cb 0.22 0.12 0.28 0.00 0.53 0.00 0.00 43.42 44.56 1aqx n LEU 189 CO 0.21 0.12 0.50 1.17 -1.11 0.00 0.00 177.39 178.28 1aqx n LYS 190 N -2.37 0.12 0.00 1.96 3.00 0.68 -2.45 118.16 119.10 1aqx n LYS 190 Ca -0.11 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1aqx n LYS 190 Cb 0.71 -1.58 -0.11 0.00 0.00 0.00 0.00 35.03 34.04 1aqx n LYS 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1aqx n ALA 191 N -1.64 2.02 0.01 3.14 0.00 -1.11 -3.88 120.51 119.05 1aqx n ALA 191 Ca 0.05 -0.68 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 1aqx n ALA 191 Cb 0.38 -0.78 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1aqx n ALA 191 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1aqx n PHE 192 N -2.74 0.80 0.87 0.00 7.35 -1.23 -3.47 117.46 119.04 1aqx n PHE 192 Ca -0.13 0.27 0.13 0.00 -0.76 0.00 0.00 57.45 56.96 1aqx n PHE 192 Cb 0.84 -1.05 0.55 0.00 0.35 0.00 0.00 39.48 40.17 1aqx n PHE 192 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1aqx n LEU 193 N -2.85 0.14 -0.44 -2.13 4.77 -1.03 -2.13 117.00 113.34 1aqx n LEU 193 Ca -0.13 0.52 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 1aqx n LEU 193 Cb 0.89 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1aqx n LEU 193 CO 0.43 -0.07 0.40 0.00 -1.33 0.00 0.00 177.39 176.82 1aqx n ALA 194 N -1.55 2.57 -1.57 -1.18 0.00 -1.25 -4.62 120.51 112.90 1aqx n ALA 194 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.62 1aqx n ALA 194 Cb 0.33 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.41 1aqx n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aqx s SER 195 N -1.11 5.43 0.19 0.00 1.04 -0.91 -4.87 113.70 113.48 1aqx s SER 195 Ca 0.13 1.73 -0.11 0.00 0.48 0.00 0.00 55.95 58.18 1aqx s SER 195 Cb 0.10 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.82 1aqx s SER 195 CO 0.18 -1.41 1.81 -0.65 0.98 0.00 0.00 173.24 174.15 1aqx h PRO 196 N -0.30 0.94 0.00 4.02 0.11 -1.93 -1.81 132.00 133.03 1aqx h PRO 196 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1aqx h PRO 196 Cb 1.22 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1aqx h PRO 196 CO 0.56 0.71 0.00 -0.85 -0.21 0.00 0.00 178.00 178.21 1aqx n GLU 197 N -4.51 0.07 -0.09 1.05 0.28 -1.26 -1.19 120.64 114.98 1aqx n GLU 197 Ca 0.05 0.26 -0.18 0.00 -0.16 0.00 0.00 57.16 57.14 1aqx n GLU 197 Cb 0.09 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 1aqx n GLU 197 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1aqx n TYR 198 N -1.41 0.00 0.20 -1.84 4.19 -1.06 -4.44 117.16 112.80 1aqx n TYR 198 Ca 0.04 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.32 1aqx n TYR 198 Cb 0.11 -0.62 0.37 0.00 0.49 0.00 0.00 39.34 39.70 1aqx n TYR 198 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1aqx h VAL 199 N -0.54 0.79 -0.18 2.97 2.07 -1.28 -2.78 116.25 117.30 1aqx h VAL 199 Ca -0.43 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1aqx h VAL 199 Cb 1.40 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1aqx h VAL 199 CO -0.24 0.32 0.00 0.59 0.02 0.00 0.00 177.57 178.26 1aqx n ASN 200 N -3.51 2.21 -4.87 0.57 3.02 -0.34 -4.86 115.26 107.49 1aqx n ASN 200 Ca -0.00 -1.78 -0.35 0.00 -0.03 0.00 0.00 54.58 52.42 1aqx n ASN 200 Cb 0.48 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 1aqx n ASN 200 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1aqx s LEU 201 N -1.67 4.38 0.25 3.41 2.96 -1.05 -5.05 118.68 121.91 1aqx s LEU 201 Ca 0.34 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.60 1aqx s LEU 201 Cb 0.20 -2.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 1aqx s LEU 201 CO 0.29 0.26 0.95 -2.16 -1.32 0.00 0.00 176.35 174.37 1aqx s PRO 202 N -1.64 4.83 0.16 0.98 0.04 -1.25 -4.81 135.00 133.30 1aqx s PRO 202 Ca 0.27 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.67 1aqx s PRO 202 Cb -0.14 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.19 1aqx s PRO 202 CO 0.15 0.48 1.77 0.82 0.04 0.00 0.00 177.00 180.26 1aqx h ILE 203 N 3.12 1.17 -5.30 0.56 2.04 -1.93 0.11 117.51 117.28 1aqx h ILE 203 Ca -0.45 -0.42 -0.65 0.00 1.00 0.00 0.00 64.86 64.34 1aqx h ILE 203 Cb 1.20 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 37.74 1aqx h ILE 203 CO 0.68 0.18 -0.43 0.59 0.00 0.00 0.00 178.15 179.16 1aqx n ASN 204 N -4.67 3.26 -2.20 1.72 5.03 -1.26 -1.40 115.26 115.74 1aqx n ASN 204 Ca 0.02 -3.17 -0.23 0.00 0.87 0.00 0.00 54.58 52.06 1aqx n ASN 204 Cb 0.08 0.25 0.02 0.00 -1.02 0.00 0.00 39.78 39.11 1aqx n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aqx n GLY 205 N -1.32 5.98 0.00 7.41 0.00 -1.26 -4.66 105.19 111.34 1aqx n GLY 205 Ca -0.16 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.26 1aqx n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aqx n ASN 206 N -0.63 0.00 0.00 1.61 0.23 -1.26 -5.05 115.26 110.16 1aqx n ASN 206 Ca 0.40 -0.48 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1aqx n ASN 206 Cb 0.87 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.57 1aqx n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aqx n GLY 207 N 0.00 2.77 3.88 4.83 0.00 -1.26 -5.07 105.19 110.34 1aqx n GLY 207 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1aqx n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqx s LYS 208 N 0.00 0.46 0.00 1.61 1.02 -1.26 -5.06 119.74 116.51 1aqx s LYS 208 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1aqx s LYS 208 Cb 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 1aqx s LYS 208 CO 0.00 -2.55 0.00 0.00 -0.92 0.00 0.00 175.35 171.88