#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqx s TYR 3 N 0.00 2.93 0.09 0.54 2.02 -1.26 -2.18 117.35 119.49 1aqx s TYR 3 Ca 0.00 -0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.20 1aqx s TYR 3 Cb 0.00 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1aqx s TYR 3 CO 0.00 -0.03 0.44 0.99 -1.57 0.00 0.00 175.55 175.38 1aqx s THR 4 N -2.30 0.05 -0.05 -0.71 2.01 -1.00 -2.20 115.64 111.45 1aqx s THR 4 Ca 0.46 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 1aqx s THR 4 Cb -0.07 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.41 1aqx s THR 4 CO 0.29 -0.24 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.28 1aqx s VAL 5 N -3.13 0.39 -0.31 3.82 1.01 0.20 -3.25 120.40 119.13 1aqx s VAL 5 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1aqx s VAL 5 Cb 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1aqx s VAL 5 CO -0.07 0.22 0.06 -0.69 0.00 0.00 0.00 175.10 174.62 1aqx s VAL 6 N 1.36 3.61 0.34 2.92 1.01 -0.71 0.62 120.40 129.54 1aqx s VAL 6 Ca -0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1aqx s VAL 6 Cb -0.13 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1aqx s VAL 6 CO -0.02 -0.06 0.58 -0.47 0.00 0.00 0.00 175.10 175.12 1aqx s TYR 7 N 1.40 0.62 0.60 5.22 5.04 -1.04 0.28 117.35 129.47 1aqx s TYR 7 Ca -0.01 -1.01 -0.05 0.00 -2.44 0.00 0.00 57.07 53.55 1aqx s TYR 7 Cb -0.19 0.26 0.02 0.00 0.35 0.00 0.00 41.96 42.41 1aqx s TYR 7 CO 0.01 -1.24 0.91 -0.06 -1.34 0.00 0.00 175.55 173.83 1aqx s PHE 8 N -3.03 3.17 -1.20 4.97 0.08 -1.26 -0.45 117.98 120.25 1aqx s PHE 8 Ca 0.24 0.55 -0.19 0.00 0.12 0.00 0.00 56.93 57.65 1aqx s PHE 8 Cb -0.02 -2.81 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 1aqx s PHE 8 CO 0.15 -0.92 1.93 -2.30 -0.10 0.00 0.00 175.22 173.99 1aqx n PRO 9 N -2.61 2.38 -3.84 0.24 -0.02 -1.24 -4.77 135.00 125.13 1aqx n PRO 9 Ca 0.05 -2.64 -0.06 0.00 -2.02 0.00 0.00 63.50 58.83 1aqx n PRO 9 Cb 0.58 -3.40 0.02 0.00 -0.02 0.00 0.00 33.50 30.68 1aqx n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1aqx s VAL 10 N 5.96 0.00 -0.12 -1.45 -7.23 -1.26 -4.53 120.40 111.77 1aqx s VAL 10 Ca 0.57 -0.83 0.19 0.00 -1.81 0.00 0.00 61.98 60.10 1aqx s VAL 10 Cb 0.07 -2.80 -0.23 0.00 0.56 0.00 0.00 36.38 33.98 1aqx s VAL 10 CO 0.07 0.00 0.49 0.54 -0.31 0.00 0.00 175.10 175.88 1aqx n ARG 11 N -0.59 0.65 0.00 4.82 1.74 -1.01 -4.87 116.66 117.41 1aqx n ARG 11 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1aqx n ARG 11 Cb 0.60 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.45 0.00 0.12 -0.13 0.00 -0.96 0.99 105.19 106.66 1aqx n GLY 12 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.89 0.00 1.61 1.74 -1.26 -2.76 116.66 116.88 1aqx n ARG 13 Ca 0.00 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1aqx n ARG 13 Cb 0.00 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1aqx n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqx h ALA 15 N 0.66 1.30 0.00 0.00 0.00 0.82 -1.33 119.26 120.71 1aqx h ALA 15 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1aqx h ALA 15 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aqx h ALA 15 CO 0.00 0.52 -0.51 0.00 0.00 0.00 0.00 179.25 179.26 1aqx h ALA 16 N 1.56 0.67 0.00 0.00 0.00 -1.82 -2.94 119.26 116.73 1aqx h ALA 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1aqx h ALA 16 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1aqx h ALA 16 CO 0.05 0.00 -1.19 1.47 0.00 0.00 0.00 179.25 179.58 1aqx n LEU 17 N -2.23 0.73 0.08 0.00 -0.00 -1.10 -2.86 117.00 111.61 1aqx n LEU 17 Ca 0.03 0.29 -0.07 0.00 -0.00 0.00 0.00 56.01 56.26 1aqx n LEU 17 Cb 0.45 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.78 1aqx n LEU 17 CO 0.35 -0.12 0.20 0.03 -0.00 0.00 0.00 177.39 177.85 1aqx h ARG 18 N 0.00 0.06 -0.02 1.47 3.08 -1.21 -2.79 114.38 114.97 1aqx h ARG 18 Ca -0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1aqx h ARG 18 Cb 1.07 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1aqx h ARG 18 CO 0.00 0.95 -0.29 0.00 -1.07 0.00 0.00 179.97 179.56 1aqx n MET 19 N -3.49 1.40 0.05 0.04 0.00 -1.12 -3.08 117.12 110.93 1aqx n MET 19 Ca -0.02 -1.09 -0.06 0.00 0.00 0.00 0.00 57.70 56.54 1aqx n MET 19 Cb 0.88 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 32.51 1aqx n MET 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1aqx h LEU 20 N 2.65 0.00 0.00 3.17 6.46 -1.46 -3.23 115.31 122.90 1aqx h LEU 20 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1aqx h LEU 20 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1aqx h LEU 20 CO 0.00 0.96 -0.73 -0.07 -0.62 0.00 0.00 178.44 177.98 1aqx h LEU 21 N 0.00 0.00 0.00 2.25 3.38 -1.52 -3.29 115.31 116.13 1aqx h LEU 21 Ca -0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1aqx h LEU 21 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1aqx h LEU 21 CO 0.12 0.09 -0.90 0.00 0.09 0.00 0.00 178.44 177.84 1aqx h ALA 22 N 2.41 0.55 0.00 1.53 0.00 -1.62 -2.64 119.26 119.48 1aqx h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aqx h ALA 22 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1aqx h ALA 22 CO 0.00 0.00 -0.46 -3.47 0.00 0.00 0.00 179.25 175.32 1aqx n ASP 23 N -2.72 0.52 -0.32 0.00 2.03 -1.22 -2.42 116.55 112.42 1aqx n ASP 23 Ca 0.00 0.04 0.13 0.00 0.52 0.00 0.00 54.79 55.47 1aqx n ASP 23 Cb 0.55 0.06 0.29 0.00 -0.72 0.00 0.00 41.12 41.30 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 -1.77 0.98 -0.76 -0.67 3.00 -1.24 -4.91 117.38 112.01 1aqx n GLN 24 Ca 0.05 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1aqx n GLN 24 Cb 0.38 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1aqx n GLN 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aqx n GLY 25 N 1.35 1.42 3.87 1.08 0.00 -1.02 -5.01 105.19 106.88 1aqx n GLY 25 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.02 2.23 0.38 1.61 -1.52 -1.00 -4.99 119.66 116.34 1aqx s GLN 26 Ca 0.00 0.30 0.04 0.00 -1.95 0.00 0.00 55.36 53.75 1aqx s GLN 26 Cb 0.00 -1.96 -0.05 0.00 -0.22 0.00 0.00 33.01 30.78 1aqx s GLN 26 CO 0.00 -1.45 0.07 0.45 -0.25 0.00 0.00 175.29 174.11 1aqx s SER 27 N -4.39 2.81 0.39 5.90 0.15 -1.26 -4.36 113.70 112.95 1aqx s SER 27 Ca 0.61 -1.49 -0.14 0.00 0.70 0.00 0.00 55.95 55.63 1aqx s SER 27 Cb -0.12 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1aqx s SER 27 CO 0.51 -0.71 0.77 -1.66 1.20 0.00 0.00 173.24 173.35 1aqx s TRP 28 N -3.18 0.24 0.09 3.44 -2.14 -1.26 -4.67 118.94 111.46 1aqx s TRP 28 Ca 0.30 -0.90 0.08 0.00 2.66 0.00 0.00 56.10 58.24 1aqx s TRP 28 Cb 0.06 0.77 -0.04 0.00 -3.10 0.00 0.00 33.47 31.17 1aqx s TRP 28 CO 0.14 -1.57 -0.18 0.21 -2.66 0.00 0.00 176.95 172.89 1aqx s LYS 29 N -2.20 1.87 0.11 3.25 2.36 -0.93 -4.95 119.74 119.25 1aqx s LYS 29 Ca 0.17 -1.11 0.07 0.00 -2.55 0.00 0.00 55.97 52.54 1aqx s LYS 29 Cb -0.05 -2.13 -0.04 0.00 -1.05 0.00 0.00 37.83 34.56 1aqx s LYS 29 CO 0.13 0.50 -0.06 -1.21 1.55 0.00 0.00 175.35 176.25 1aqx s GLU 30 N -1.90 2.26 -0.40 4.03 0.41 -1.26 0.59 118.70 122.43 1aqx s GLU 30 Ca 0.17 -0.99 0.02 0.00 -0.41 0.00 0.00 54.97 53.75 1aqx s GLU 30 Cb -0.11 -2.37 0.12 0.00 -1.78 0.00 0.00 34.13 30.00 1aqx s GLU 30 CO 0.08 0.51 0.19 -2.00 -0.49 0.00 0.00 175.26 173.55 1aqx s GLU 31 N -2.33 1.20 0.56 1.61 2.56 0.20 -4.85 118.70 117.65 1aqx s GLU 31 Ca 0.23 -1.80 -0.19 0.00 0.00 0.00 0.00 54.97 53.21 1aqx s GLU 31 Cb -0.11 -2.38 -0.05 0.00 2.00 0.00 0.00 34.13 33.58 1aqx s GLU 31 CO 0.15 -1.10 1.10 0.08 -0.56 0.00 0.00 175.26 174.94 1aqx s VAL 32 N 0.67 3.34 0.10 3.70 1.01 -1.26 -2.51 120.40 125.45 1aqx s VAL 32 Ca 0.15 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1aqx s VAL 32 Cb -0.22 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1aqx s VAL 32 CO -0.06 -0.23 -0.18 -0.69 0.00 0.00 0.00 175.10 173.93 1aqx s VAL 33 N -1.96 1.54 0.24 2.92 1.01 0.41 -4.89 120.40 119.67 1aqx s VAL 33 Ca 0.70 -1.53 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1aqx s VAL 33 Cb -0.21 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1aqx s VAL 33 CO 0.29 -0.15 0.14 0.42 0.00 0.00 0.00 175.10 175.80 1aqx s THR 34 N -1.34 4.24 -0.43 3.92 -4.23 -1.26 -3.66 115.64 112.88 1aqx s THR 34 Ca 0.05 -1.47 0.21 0.00 -1.18 0.00 0.00 61.69 59.31 1aqx s THR 34 Cb -0.09 -3.27 0.21 0.00 1.34 0.00 0.00 72.50 70.69 1aqx s THR 34 CO 0.04 -0.32 1.63 1.33 -0.54 0.00 0.00 174.62 176.76 1aqx n VAL 35 N -0.99 0.99 -0.01 2.29 0.24 -1.26 -2.31 118.33 117.28 1aqx n VAL 35 Ca -0.08 0.45 0.04 0.00 -2.04 0.00 0.00 64.34 62.72 1aqx n VAL 35 Cb 0.58 -1.40 -0.14 0.00 -1.47 0.00 0.00 33.84 31.41 1aqx n VAL 35 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1aqx n GLU 36 N -2.16 0.66 0.17 7.34 4.71 -1.26 -0.54 120.64 129.56 1aqx n GLU 36 Ca 0.01 -0.05 0.06 0.00 -0.01 0.00 0.00 57.16 57.17 1aqx n GLU 36 Cb 0.13 -1.60 0.12 0.00 -1.01 0.00 0.00 31.44 29.09 1aqx n GLU 36 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1aqx h THR 37 N 0.00 0.56 0.00 2.62 2.02 -1.87 0.11 112.91 116.34 1aqx h THR 37 Ca -0.16 -1.71 -0.04 0.00 0.77 0.00 0.00 66.41 65.27 1aqx h THR 37 Cb 1.39 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 70.01 1aqx h THR 37 CO 0.01 0.31 -1.27 1.87 0.37 0.00 0.00 175.52 176.82 1aqx n TRP 38 N -3.20 0.81 1.36 3.16 -0.00 -0.98 -3.38 117.44 115.22 1aqx n TRP 38 Ca 0.02 0.24 0.14 0.00 -0.00 0.00 0.00 57.50 57.91 1aqx n TRP 38 Cb 0.64 -0.92 0.65 0.00 -0.00 0.00 0.00 31.31 31.68 1aqx n TRP 38 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 1aqx n GLN 39 N -2.65 0.49 0.00 5.87 -0.06 0.30 -2.13 117.38 119.19 1aqx n GLN 39 Ca -0.03 -0.11 0.13 0.00 -2.00 0.00 0.00 57.00 54.99 1aqx n GLN 39 Cb 0.62 -1.50 0.46 0.00 -4.06 0.00 0.00 30.24 25.76 1aqx n GLN 39 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1aqx n GLU 40 N -1.16 0.28 0.00 3.69 0.00 -0.07 -4.96 120.64 118.43 1aqx n GLU 40 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1aqx n GLU 40 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.21 1aqx n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aqx n GLY 41 N 1.42 2.38 0.21 8.31 0.00 -0.91 -4.89 105.19 111.71 1aqx n GLY 41 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1aqx n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1aqx h SER 42 N 0.00 0.00 0.00 1.61 0.87 -1.83 -3.20 113.55 111.01 1aqx h SER 42 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1aqx h SER 42 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1aqx h SER 42 CO 0.00 0.00 -1.57 -0.11 -0.53 0.00 0.00 176.83 174.62 1aqx n LEU 43 N -2.63 0.00 0.08 2.23 7.94 -1.26 -4.08 117.00 119.28 1aqx n LEU 43 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1aqx n LEU 43 Cb 0.21 0.08 0.43 0.00 0.53 0.00 0.00 43.42 44.67 1aqx n LEU 43 CO 0.21 0.08 0.82 1.17 -1.11 0.00 0.00 177.39 178.56 1aqx n LYS 44 N -2.04 0.13 -0.00 1.96 4.81 -1.21 -2.03 118.16 119.77 1aqx n LYS 44 Ca -0.07 0.33 0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1aqx n LYS 44 Cb 0.46 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 33.70 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 -1.68 3.51 1.25 3.14 0.00 -1.23 -3.60 120.51 121.90 1aqx n ALA 45 Ca 0.03 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.25 1aqx n ALA 45 Cb 0.23 -0.46 0.50 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.38 0.52 -4.35 0.00 3.41 -0.86 -4.86 113.62 106.11 1aqx n SER 46 Ca 0.02 -0.44 -0.27 0.00 -0.26 0.00 0.00 58.87 57.91 1aqx n SER 46 Cb 0.21 -0.03 0.16 0.00 -0.26 0.00 0.00 64.21 64.29 1aqx n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqx n LEU 48 N -3.39 0.63 -0.05 0.00 7.94 -1.26 -4.27 117.00 116.61 1aqx n LEU 48 Ca 0.15 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1aqx n LEU 48 Cb 0.60 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.35 1aqx n LEU 48 CO 0.44 0.15 0.18 -1.22 -1.11 0.00 0.00 177.39 175.84 1aqx n TYR 49 N -1.43 0.00 -1.63 1.96 4.01 -1.26 -4.99 117.16 113.82 1aqx n TYR 49 Ca 0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.69 1aqx n TYR 49 Cb 0.34 0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.00 0.74 3.31 2.72 0.00 -1.24 -5.00 105.19 105.73 1aqx n GLY 50 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.48 1.12 0.45 1.61 -0.21 -1.26 -4.87 119.66 113.01 1aqx s GLN 51 Ca 0.00 -1.21 0.07 0.00 0.02 0.00 0.00 55.36 54.24 1aqx s GLN 51 Cb 0.00 0.36 -0.03 0.00 1.00 0.00 0.00 33.01 34.34 1aqx s GLN 51 CO 0.00 -0.40 0.25 -0.51 -2.12 0.00 0.00 175.29 172.51 1aqx s LEU 52 N -2.98 3.02 0.98 2.90 1.43 -1.26 -4.72 118.68 118.06 1aqx s LEU 52 Ca 0.18 -1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 1aqx s LEU 52 Cb 0.04 -1.44 0.18 0.00 0.03 0.00 0.00 46.19 45.00 1aqx s LEU 52 CO 0.00 -0.70 1.09 -2.16 0.23 0.00 0.00 176.35 174.81 1aqx s PRO 53 N -4.02 0.52 0.32 1.29 0.04 -1.26 -4.95 135.00 126.94 1aqx s PRO 53 Ca 0.38 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.59 1aqx s PRO 53 Cb 0.01 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 1aqx s PRO 53 CO 0.22 -2.82 -0.10 0.21 0.04 0.00 0.00 177.00 174.55 1aqx s LYS 54 N -4.69 1.85 0.09 4.56 2.20 0.14 -4.31 119.74 119.58 1aqx s LYS 54 Ca 0.66 -1.82 -0.25 0.00 -0.36 0.00 0.00 55.97 54.20 1aqx s LYS 54 Cb -0.22 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.38 1aqx s LYS 54 CO 0.60 0.21 0.65 0.12 -0.36 0.00 0.00 175.35 176.57 1aqx s PHE 55 N -2.54 -0.55 -0.05 4.03 5.36 -0.96 -1.74 117.98 121.53 1aqx s PHE 55 Ca 0.32 0.50 -0.21 0.00 -0.96 0.00 0.00 56.93 56.58 1aqx s PHE 55 Cb -0.01 0.52 0.04 0.00 -0.34 0.00 0.00 43.02 43.24 1aqx s PHE 55 CO 0.17 -0.76 0.46 -0.65 -1.46 0.00 0.00 175.22 172.97 1aqx s GLN 56 N -3.10 0.78 -0.05 10.12 -1.52 -1.20 -1.40 119.66 123.30 1aqx s GLN 56 Ca -0.01 0.09 -0.04 0.00 -1.95 0.00 0.00 55.36 53.45 1aqx s GLN 56 Cb -0.01 0.36 0.02 0.00 -0.22 0.00 0.00 33.01 33.16 1aqx s GLN 56 CO -0.07 -0.21 0.12 0.34 -0.25 0.00 0.00 175.29 175.21 1aqx s ASP 57 N -1.04 -0.12 0.02 5.90 2.15 -0.64 -2.36 116.67 120.59 1aqx s ASP 57 Ca -0.11 0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1aqx s ASP 57 Cb -0.03 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1aqx s ASP 57 CO 0.06 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.61 1aqx n GLY 58 N 3.20 1.36 0.34 2.66 0.00 -0.92 0.53 105.19 112.36 1aqx n GLY 58 Ca -0.15 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.74 1aqx n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aqx n ASP 59 N -1.68 1.05 -4.77 1.61 5.68 -1.26 -4.89 116.55 112.29 1aqx n ASP 59 Ca 0.00 -1.42 -0.38 0.00 -0.50 0.00 0.00 54.79 52.48 1aqx n ASP 59 Cb 0.00 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 39.90 1aqx n ASP 59 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1aqx s LEU 60 N -1.87 4.47 0.15 -2.12 2.96 0.19 -5.07 118.68 117.39 1aqx s LEU 60 Ca 0.38 1.80 0.11 0.00 -0.22 0.00 0.00 54.13 56.20 1aqx s LEU 60 Cb 0.20 -3.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1aqx s LEU 60 CO 0.32 0.05 -0.26 -0.89 -1.32 0.00 0.00 176.35 174.24 1aqx s THR 61 N -1.41 2.28 0.07 3.68 2.01 -1.26 -1.61 115.64 119.40 1aqx s THR 61 Ca 0.45 -1.84 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 1aqx s THR 61 Cb -0.21 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1aqx s THR 61 CO 0.26 0.02 0.17 -0.76 -0.69 0.00 0.00 174.62 173.62 1aqx s LEU 62 N -2.25 1.51 0.25 4.42 1.43 -0.49 -4.99 118.68 118.56 1aqx s LEU 62 Ca 0.16 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1aqx s LEU 62 Cb -0.09 0.94 -0.05 0.00 0.03 0.00 0.00 46.19 47.02 1aqx s LEU 62 CO 0.07 -0.68 0.11 -0.31 0.23 0.00 0.00 176.35 175.77 1aqx s TYR 63 N -3.59 1.44 0.20 0.29 2.02 -1.26 -2.26 117.35 114.19 1aqx s TYR 63 Ca 0.03 -1.26 0.00 0.00 -0.37 0.00 0.00 57.07 55.47 1aqx s TYR 63 Cb 0.04 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.80 1aqx s TYR 63 CO -0.09 -0.44 0.00 1.04 -1.57 0.00 0.00 175.55 174.48 1aqx n GLN 64 N -0.43 -1.82 0.20 -0.62 1.13 -1.26 -4.44 117.38 110.14 1aqx n GLN 64 Ca 0.01 1.35 0.13 0.00 -1.94 0.00 0.00 57.00 56.55 1aqx n GLN 64 Cb 0.66 -1.52 0.27 0.00 0.11 0.00 0.00 30.24 29.76 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 0.70 0.00 0.31 1.08 4.64 -1.90 -3.11 113.55 115.27 1aqx h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aqx h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1aqx h SER 65 CO 0.00 0.00 -0.64 0.59 -0.87 0.00 0.00 176.83 175.91 1aqx n ASN 66 N -2.91 0.73 0.07 4.97 5.03 -1.26 -3.35 115.26 118.54 1aqx n ASN 66 Ca 0.04 -0.56 -0.09 0.00 0.87 0.00 0.00 54.58 54.83 1aqx n ASN 66 Cb 0.48 0.49 -0.13 0.00 -1.02 0.00 0.00 39.78 39.60 1aqx n ASN 66 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1aqx h THR 67 N 0.14 1.63 0.00 3.41 2.02 -1.76 -2.51 112.91 115.84 1aqx h THR 67 Ca 0.00 -3.31 0.00 0.00 0.77 0.00 0.00 66.41 63.87 1aqx h THR 67 Cb 0.51 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1aqx h THR 67 CO 0.00 0.94 -0.07 0.40 0.37 0.00 0.00 175.52 177.17 1aqx h ILE 68 N 0.02 0.00 0.01 3.11 2.04 -1.62 -1.77 117.51 119.30 1aqx h ILE 68 Ca -0.05 -0.74 -0.30 0.00 1.00 0.00 0.00 64.86 64.76 1aqx h ILE 68 Cb 1.83 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.57 1aqx h ILE 68 CO 0.15 0.00 -1.80 0.18 0.00 0.00 0.00 178.15 176.67 1aqx n LEU 69 N -2.67 0.87 0.07 1.44 4.77 -1.21 -2.39 117.00 117.88 1aqx n LEU 69 Ca 0.05 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1aqx n LEU 69 Cb 0.48 0.14 0.38 0.00 -2.33 0.00 0.00 43.42 42.09 1aqx n LEU 69 CO 0.33 0.43 0.74 -1.14 -1.33 0.00 0.00 177.39 176.41 1aqx n ARG 70 N -3.03 0.20 -0.05 3.23 0.63 -0.95 -1.37 116.66 115.32 1aqx n ARG 70 Ca -0.20 0.13 -0.13 0.00 -0.92 0.00 0.00 57.85 56.73 1aqx n ARG 70 Cb 1.06 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 32.13 1aqx n ARG 70 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1aqx n HIS 71 N -2.04 0.64 0.51 -0.14 -0.00 -0.67 -2.04 115.22 111.49 1aqx n HIS 71 Ca 0.05 0.19 0.12 0.00 0.46 0.00 0.00 57.72 58.54 1aqx n HIS 71 Cb 0.41 -1.10 0.21 0.00 -0.12 0.00 0.00 29.99 29.39 1aqx n HIS 71 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1aqx h LEU 72 N 0.02 0.00 0.21 0.27 3.38 -1.49 -1.48 115.31 116.22 1aqx h LEU 72 Ca -0.43 -0.13 -0.33 0.00 0.09 0.00 0.00 57.88 57.08 1aqx h LEU 72 Cb 2.06 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.84 1aqx h LEU 72 CO 0.04 0.06 -1.51 1.23 0.09 0.00 0.00 178.44 178.36 1aqx h GLY 73 N 4.43 0.52 1.96 0.83 0.00 -1.33 -1.84 103.07 107.64 1aqx h GLY 73 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 47.33 46.00 1aqx h GLY 73 CO 0.00 1.17 -0.04 -0.09 0.00 0.00 0.00 176.54 177.58 1aqx h ARG 74 N 0.12 0.00 -0.00 4.80 2.43 -1.33 0.75 114.38 121.16 1aqx h ARG 74 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1aqx h ARG 74 Cb 2.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1aqx h ARG 74 CO 0.24 0.00 -0.57 0.25 -1.51 0.00 0.00 179.97 178.37 1aqx n THR 75 N -2.96 0.00 0.11 0.20 -2.24 -0.56 -4.45 114.28 104.36 1aqx n THR 75 Ca 0.04 -0.21 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1aqx n THR 75 Cb 0.52 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.05 1.64 -0.61 3.22 4.77 -0.69 -5.01 117.00 119.26 1aqx n LEU 76 Ca 0.03 -1.29 -0.02 0.00 -0.03 0.00 0.00 56.01 54.71 1aqx n LEU 76 Cb 0.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1aqx n LEU 76 CO 0.26 0.38 0.01 0.61 -1.33 0.00 0.00 177.39 177.32 1aqx n GLY 77 N 0.13 0.68 0.65 -0.72 0.00 -1.10 -4.98 105.19 99.85 1aqx n GLY 77 Ca 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.72 3.06 -0.60 0.99 4.77 0.24 -4.67 117.00 120.06 1aqx n LEU 78 Ca -0.01 -3.65 0.07 0.00 -0.03 0.00 0.00 56.01 52.39 1aqx n LEU 78 Cb 0.51 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1aqx n LEU 78 CO 0.05 1.18 0.50 0.00 -1.33 0.00 0.00 177.39 177.79 1aqx n TYR 79 N -1.14 0.08 0.00 -1.77 4.19 -1.10 -0.95 117.16 116.46 1aqx n TYR 79 Ca 0.22 -0.07 0.00 0.00 3.31 0.00 0.00 57.90 61.36 1aqx n TYR 79 Cb 0.78 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.60 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 0.80 -1.01 0.39 2.98 0.00 -1.26 -3.94 105.19 103.14 1aqx n GLY 80 Ca 0.09 -2.24 0.07 0.00 0.00 0.00 0.00 46.02 43.95 1aqx n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqx n LYS 81 N -0.42 1.65 -3.81 1.61 5.02 -1.26 -4.92 118.16 116.02 1aqx n LYS 81 Ca 0.00 -0.89 -0.02 0.00 -2.02 0.00 0.00 58.31 55.38 1aqx n LYS 81 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1aqx n LYS 81 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1aqx s ASP 82 N -1.66 -0.06 0.22 4.39 1.47 -1.26 -5.00 116.67 114.78 1aqx s ASP 82 Ca 0.13 -0.46 -0.07 0.00 1.18 0.00 0.00 52.55 53.33 1aqx s ASP 82 Cb 0.12 0.41 0.34 0.00 -0.34 0.00 0.00 42.92 43.45 1aqx s ASP 82 CO 0.33 -0.78 1.74 1.56 0.68 0.00 0.00 175.17 178.70 1aqx h GLN 83 N 2.00 0.42 0.00 2.11 4.20 -1.96 0.43 115.11 122.31 1aqx h GLN 83 Ca -0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1aqx h GLN 83 Cb 1.22 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1aqx h GLN 83 CO 0.31 0.28 0.00 1.04 -0.67 0.00 0.00 178.83 179.79 1aqx n GLN 84 N -4.99 0.01 -0.00 1.46 3.00 -1.26 0.03 117.38 115.63 1aqx n GLN 84 Ca 0.11 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 1aqx n GLN 84 Cb 0.32 -1.51 -0.09 0.00 0.00 0.00 0.00 30.24 28.95 1aqx n GLN 84 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1aqx n GLU 85 N -1.53 1.61 0.00 -1.09 1.02 0.09 -3.74 120.64 117.00 1aqx n GLU 85 Ca 0.06 -0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1aqx n GLU 85 Cb 0.31 -1.26 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 1aqx n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aqx n ALA 86 N -1.50 2.73 0.12 0.62 0.00 0.13 -3.49 120.51 119.13 1aqx n ALA 86 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1aqx n ALA 86 Cb 0.28 -0.78 0.09 0.00 0.00 0.00 0.00 19.45 19.03 1aqx n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqx h ALA 87 N 1.97 0.73 0.00 0.00 0.00 -0.52 -2.82 119.26 118.62 1aqx h ALA 87 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1aqx h ALA 87 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1aqx h ALA 87 CO 0.00 0.85 -1.27 1.28 0.00 0.00 0.00 179.25 180.12 1aqx n LEU 88 N -3.53 0.60 0.24 0.00 4.77 -1.25 -1.96 117.00 115.87 1aqx n LEU 88 Ca -0.00 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1aqx n LEU 88 Cb 0.72 -0.05 0.52 0.00 -2.33 0.00 0.00 43.42 42.28 1aqx n LEU 88 CO 0.42 -0.11 0.87 0.58 -1.33 0.00 0.00 177.39 177.82 1aqx h VAL 89 N 0.00 0.31 0.14 4.08 2.07 -1.58 -0.88 116.25 120.39 1aqx h VAL 89 Ca 0.00 -0.90 -0.23 0.00 0.82 0.00 0.00 66.70 66.40 1aqx h VAL 89 Cb 0.97 1.69 0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1aqx h VAL 89 CO 0.00 0.13 -1.07 -0.78 0.02 0.00 0.00 177.57 175.87 1aqx h ASP 90 N 0.00 0.47 -0.13 0.57 1.82 -1.45 -2.91 116.42 114.79 1aqx h ASP 90 Ca -0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 1aqx h ASP 90 Cb 0.68 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1aqx h ASP 90 CO 0.02 1.49 0.09 -0.03 -1.61 0.00 0.00 179.24 179.20 1aqx h MET 91 N -0.31 0.16 0.00 0.28 4.05 -0.67 -1.80 114.93 116.65 1aqx h MET 91 Ca -0.20 -0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.00 1aqx h MET 91 Cb 1.73 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 32.46 1aqx h MET 91 CO 0.13 0.11 -1.08 0.28 0.23 0.00 0.00 176.91 176.58 1aqx h VAL 92 N 0.17 1.29 -0.11 -5.77 2.07 -1.25 -3.12 116.25 109.52 1aqx h VAL 92 Ca 0.05 -2.94 -0.20 0.00 0.82 0.00 0.00 66.70 64.43 1aqx h VAL 92 Cb -0.01 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1aqx h VAL 92 CO -0.01 0.73 -0.75 -1.13 0.02 0.00 0.00 177.57 176.43 1aqx h ASN 93 N 0.00 0.67 1.11 0.57 -0.73 -1.12 0.42 115.58 116.50 1aqx h ASN 93 Ca -0.07 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 57.65 1aqx h ASN 93 Cb 1.73 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 40.12 1aqx h ASN 93 CO 0.10 1.21 -0.01 0.47 -0.37 0.00 0.00 177.43 178.82 1aqx n ASP 94 N -3.88 0.22 0.06 1.15 8.00 -1.04 -0.83 116.55 120.24 1aqx n ASP 94 Ca -0.06 0.50 -0.22 0.00 0.71 0.00 0.00 54.79 55.72 1aqx n ASP 94 Cb 0.72 -0.56 -0.15 0.00 -0.02 0.00 0.00 41.12 41.12 1aqx n ASP 94 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1aqx h GLY 95 N 4.88 0.41 2.00 0.44 0.00 -1.26 -1.80 103.07 107.74 1aqx h GLY 95 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.26 1aqx h GLY 95 CO 0.00 0.92 -0.10 -2.08 0.00 0.00 0.00 176.54 175.27 1aqx h VAL 96 N -0.12 0.19 0.00 4.60 2.07 -0.01 -3.01 116.25 119.97 1aqx h VAL 96 Ca -0.27 -1.11 -0.15 0.00 0.82 0.00 0.00 66.70 65.99 1aqx h VAL 96 Cb 1.91 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 1aqx h VAL 96 CO 0.15 0.10 -0.76 -0.08 0.02 0.00 0.00 177.57 177.01 1aqx h GLU 97 N 0.00 0.00 0.00 1.57 4.57 -1.02 -2.47 114.58 117.24 1aqx h GLU 97 Ca -0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1aqx h GLU 97 Cb 0.94 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 1aqx h GLU 97 CO 0.01 0.68 -0.16 -0.44 -1.18 0.00 0.00 179.01 177.92 1aqx h ASP 98 N 0.00 0.00 0.28 1.04 3.32 -1.18 -2.33 116.42 117.55 1aqx h ASP 98 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1aqx h ASP 98 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1aqx h ASP 98 CO 0.09 0.16 -1.63 -0.11 -1.72 0.00 0.00 179.24 176.03 1aqx n LEU 99 N -3.50 0.30 0.24 1.55 7.94 -1.19 -3.64 117.00 118.70 1aqx n LEU 99 Ca -0.01 0.06 0.13 0.00 -1.11 0.00 0.00 56.01 55.08 1aqx n LEU 99 Cb 0.32 -0.02 0.41 0.00 0.53 0.00 0.00 43.42 44.65 1aqx n LEU 99 CO 0.31 -0.03 0.85 -0.09 -1.11 0.00 0.00 177.39 177.32 1aqx h ARG 100 N 0.00 0.00 0.20 1.96 2.43 -0.94 -1.79 114.38 116.23 1aqx h ARG 100 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1aqx h ARG 100 Cb 0.96 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1aqx h ARG 100 CO 0.00 0.08 -1.37 0.00 -1.51 0.00 0.00 179.97 177.17 1aqx h LYS 102 N 0.14 0.00 0.00 0.00 1.57 -1.57 0.86 116.57 117.58 1aqx h LYS 102 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1aqx h LYS 102 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1aqx h LYS 102 CO 0.25 0.00 -0.98 0.98 -0.57 0.00 0.00 179.45 179.13 1aqx n TYR 103 N -2.56 0.68 0.00 -1.35 4.19 -0.70 -3.30 117.16 114.13 1aqx n TYR 103 Ca 0.03 0.20 -0.10 0.00 3.31 0.00 0.00 57.90 61.33 1aqx n TYR 103 Cb 0.32 -0.76 -0.14 0.00 0.49 0.00 0.00 39.34 39.25 1aqx n TYR 103 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1aqx h ILE 104 N 0.00 1.01 0.00 2.97 2.04 -0.05 -3.17 117.51 120.32 1aqx h ILE 104 Ca 0.00 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 63.05 1aqx h ILE 104 Cb 0.89 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1aqx h ILE 104 CO 0.00 0.64 0.00 -1.28 0.00 0.00 0.00 178.15 177.51 1aqx h SER 105 N 0.01 0.00 0.15 1.72 0.87 -0.96 -1.47 113.55 113.87 1aqx h SER 105 Ca -0.24 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 59.97 1aqx h SER 105 Cb 1.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 1aqx h SER 105 CO 0.10 0.00 -1.83 0.25 -0.53 0.00 0.00 176.83 174.82 1aqx h LEU 106 N 0.00 0.49 -0.68 2.23 5.85 -1.65 -2.58 115.31 118.96 1aqx h LEU 106 Ca 0.00 -0.93 -0.06 0.00 0.84 0.00 0.00 57.88 57.73 1aqx h LEU 106 Cb 0.71 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1aqx h LEU 106 CO 0.00 1.81 -0.27 0.40 -0.34 0.00 0.00 178.44 180.04 1aqx h ILE 107 N 0.02 0.56 -0.01 4.05 1.08 -1.49 1.86 117.51 123.57 1aqx h ILE 107 Ca -0.38 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 1aqx h ILE 107 Cb 2.02 1.97 0.00 0.00 -3.07 0.00 0.00 36.82 37.74 1aqx h ILE 107 CO 0.11 0.26 -0.13 -1.22 -0.69 0.00 0.00 178.15 176.49 1aqx n TYR 108 N -3.30 0.00 -1.16 1.37 4.01 -0.57 -4.73 117.16 112.78 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 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1aqx n TYR 108 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1aqx n THR 109 N 0.07 0.00 -1.99 -0.72 5.66 -1.00 -5.00 114.28 111.31 1aqx n THR 109 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1aqx n THR 109 Cb 0.23 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 1aqx n THR 109 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1aqx n ASN 110 N 0.00 0.00 0.00 1.09 2.85 -0.56 -4.96 115.26 113.68 1aqx n ASN 110 Ca 0.00 -0.99 0.00 0.00 -0.11 0.00 0.00 54.58 53.48 1aqx n ASN 110 Cb 0.17 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1aqx n ASN 110 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aqx n TYR 111 N 0.00 0.00 0.39 1.20 9.36 0.62 -1.51 117.16 127.22 1aqx n TYR 111 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1aqx n TYR 111 Cb 0.49 -0.16 -0.03 0.00 -0.63 0.00 0.00 39.34 39.02 1aqx n TYR 111 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1aqx n GLU 112 N -1.14 3.35 0.00 2.98 1.02 -1.26 -4.43 120.64 121.16 1aqx n GLU 112 Ca 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1aqx n GLU 112 Cb 0.01 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1aqx n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aqx n ALA 113 N -0.79 0.37 -0.02 0.62 0.00 -0.87 -4.82 120.51 114.99 1aqx n ALA 113 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1aqx n ALA 113 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.06 0.63 0.07 0.00 0.00 -0.57 -4.69 105.19 100.69 1aqx n GLY 114 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.71 0.08 -0.06 1.61 0.00 -1.25 -0.87 118.16 116.96 1aqx n LYS 115 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 58.31 58.81 1aqx n LYS 115 Cb 0.01 -1.69 0.11 0.00 0.00 0.00 0.00 35.03 33.46 1aqx n LYS 115 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1aqx n ASP 116 N -1.84 2.69 0.00 3.14 -0.08 -1.26 -3.94 116.55 115.26 1aqx n ASP 116 Ca 0.02 -1.80 0.00 0.00 -1.51 0.00 0.00 54.79 51.50 1aqx n ASP 116 Cb 0.13 -0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1aqx n ASP 116 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1aqx n ASP 117 N 1.03 0.91 0.04 1.67 8.00 -0.77 -4.27 116.55 123.16 1aqx n ASP 117 Ca 0.12 -1.08 0.06 0.00 0.71 0.00 0.00 54.79 54.60 1aqx n ASP 117 Cb 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.04 0.73 0.99 1.24 9.36 -0.05 -2.39 117.16 127.00 1aqx n TYR 118 Ca 0.00 0.23 0.10 0.00 3.32 0.00 0.00 57.90 61.55 1aqx n TYR 118 Cb 0.07 -0.92 -0.09 0.00 -0.63 0.00 0.00 39.34 37.76 1aqx n TYR 118 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1aqx n VAL 119 N -2.68 0.00 0.04 2.97 0.31 -1.25 -2.62 118.33 115.10 1aqx n VAL 119 Ca -0.06 -0.06 0.08 0.00 -0.01 0.00 0.00 64.34 64.29 1aqx n VAL 119 Cb 0.70 1.06 -0.08 0.00 -0.91 0.00 0.00 33.84 34.60 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 -1.17 0.63 -0.05 5.55 4.76 -1.24 -3.84 118.16 122.79 1aqx n LYS 120 Ca 0.05 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.60 1aqx n LYS 120 Cb 0.36 -1.70 0.10 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.28 2.44 -0.03 7.82 0.00 -1.01 -4.59 120.51 122.86 1aqx n ALA 121 Ca -0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1aqx n ALA 121 Cb 0.64 -0.62 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 1aqx n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aqx h LEU 122 N 3.46 0.17 -0.83 0.00 5.85 -1.61 -3.33 115.31 119.02 1aqx h LEU 122 Ca 0.00 -0.62 0.18 0.00 0.84 0.00 0.00 57.88 58.27 1aqx h LEU 122 Cb 0.77 -0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.59 1aqx h LEU 122 CO 0.00 0.76 -0.16 -0.65 -0.34 0.00 0.00 178.44 178.05 1aqx h PRO 123 N -0.42 0.02 0.00 5.25 0.11 -1.81 0.78 132.00 135.92 1aqx h PRO 123 Ca -0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1aqx h PRO 123 Cb 0.75 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1aqx h PRO 123 CO 0.03 0.01 -0.05 0.78 -0.21 0.00 0.00 178.00 178.55 1aqx h GLY 124 N 0.02 0.00 1.55 -0.55 0.00 -1.90 -0.15 103.07 102.05 1aqx h GLY 124 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.59 1aqx h GLY 124 CO -0.83 0.00 -0.99 1.46 0.00 0.00 0.00 176.54 176.18 1aqx h GLN 125 N 0.00 0.00 0.00 4.80 1.08 0.39 -3.29 115.11 118.08 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 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1aqx h GLN 125 CO 0.01 0.49 -0.83 1.28 -0.95 0.00 0.00 178.83 178.82 1aqx n LEU 126 N -3.10 0.69 0.11 1.46 4.77 -0.24 -4.19 117.00 116.49 1aqx n LEU 126 Ca -0.04 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1aqx n LEU 126 Cb 0.82 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1aqx n LEU 126 CO 0.43 -0.05 0.79 0.50 -1.33 0.00 0.00 177.39 177.73 1aqx h LYS 127 N 0.00 -0.25 -0.85 3.23 3.64 -1.11 -2.96 116.57 118.26 1aqx h LYS 127 Ca 0.00 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1aqx h LYS 127 Cb 0.79 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.53 1aqx h LYS 127 CO 0.00 -0.17 0.26 -1.35 -2.27 0.00 0.00 179.45 175.92 1aqx h PRO 128 N -0.26 0.26 0.00 1.90 0.11 -1.73 0.65 132.00 132.93 1aqx h PRO 128 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1aqx h PRO 128 Cb 0.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1aqx h PRO 128 CO -0.02 0.17 0.00 1.19 -0.21 0.00 0.00 178.00 179.13 1aqx n PHE 129 N -5.17 0.39 0.50 0.65 3.72 -1.13 -1.92 117.46 114.49 1aqx n PHE 129 Ca 0.20 0.15 0.12 0.00 -0.05 0.00 0.00 57.45 57.87 1aqx n PHE 129 Cb 0.63 -0.73 0.18 0.00 -0.94 0.00 0.00 39.48 38.61 1aqx n PHE 129 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1aqx h GLU 130 N 0.00 0.00 0.00 -1.08 4.22 0.42 -3.24 114.58 114.89 1aqx h GLU 130 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1aqx h GLU 130 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1aqx h GLU 130 CO 0.00 0.00 -1.78 2.41 -2.18 0.00 0.00 179.01 177.46 1aqx n THR 131 N -2.26 0.08 0.15 0.32 -1.04 -0.81 -3.16 114.28 107.57 1aqx n THR 131 Ca 0.03 -0.46 0.05 0.00 -2.04 0.00 0.00 64.05 61.62 1aqx n THR 131 Cb 0.46 0.03 0.05 0.00 -1.82 0.00 0.00 70.33 69.05 1aqx n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1aqx h LEU 132 N 0.00 0.00 0.00 -4.42 3.38 -1.51 -3.12 115.31 109.64 1aqx h LEU 132 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1aqx h LEU 132 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1aqx h LEU 132 CO 0.00 0.39 -0.81 -0.07 0.09 0.00 0.00 178.44 178.03 1aqx h LEU 133 N 0.00 0.00 0.00 1.67 3.38 -1.68 -3.24 115.31 115.44 1aqx h LEU 133 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1aqx h LEU 133 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1aqx h LEU 133 CO 0.05 0.20 -0.03 -1.54 0.09 0.00 0.00 178.44 177.21 1aqx n SER 134 N -2.89 0.13 -0.41 -0.43 3.41 -1.18 0.48 113.62 112.72 1aqx n SER 134 Ca -0.01 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.15 1aqx n SER 134 Cb 0.64 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1aqx n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqx n GLN 135 N -1.59 1.62 -1.32 4.33 6.02 -1.21 -4.28 117.38 120.94 1aqx n GLN 135 Ca 0.07 -0.92 -0.29 0.00 -0.01 0.00 0.00 57.00 55.85 1aqx n GLN 135 Cb 0.35 -1.29 0.11 0.00 1.02 0.00 0.00 30.24 30.43 1aqx n GLN 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1aqx n ASN 136 N 0.04 6.12 -0.14 1.08 5.15 -1.19 -4.80 115.26 121.51 1aqx n ASN 136 Ca 0.07 -3.74 0.00 0.00 -0.60 0.00 0.00 54.58 50.31 1aqx n ASN 136 Cb 0.35 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 1aqx n ASN 136 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1aqx n GLN 137 N -0.98 0.00 -1.00 1.20 6.02 -1.26 -4.35 117.38 117.00 1aqx n GLN 137 Ca 0.59 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1aqx n GLN 137 Cb 0.98 -0.88 -0.00 0.00 1.02 0.00 0.00 30.24 31.36 1aqx n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aqx n GLY 138 N -0.28 0.43 2.44 1.08 0.00 -1.26 -3.36 105.19 104.25 1aqx n GLY 138 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.97 1.41 0.44 -0.02 0.00 0.18 -4.86 105.19 99.37 1aqx n GLY 139 Ca -0.00 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.40 1.57 0.00 1.61 4.76 -1.21 -4.75 118.16 117.73 1aqx n LYS 140 Ca -0.14 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.43 1aqx n LYS 140 Cb 0.47 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 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 0.15 0.00 -1.60 -0.18 -2.24 -1.26 -5.13 114.28 104.02 1aqx n THR 141 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 1aqx n THR 141 Cb 0.24 0.00 0.15 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 0.62 2.18 -1.56 4.78 0.08 -1.26 -4.96 117.98 117.87 1aqx s PHE 142 Ca 0.00 0.71 0.12 0.00 0.12 0.00 0.00 56.93 57.88 1aqx s PHE 142 Cb 0.00 -3.54 0.63 0.00 -0.57 0.00 0.00 43.02 39.55 1aqx s PHE 142 CO 0.00 -2.51 1.26 1.51 -0.10 0.00 0.00 175.22 175.38 1aqx n ILE 143 N -3.82 0.53 -3.56 0.64 0.13 -1.26 -4.73 119.36 107.29 1aqx n ILE 143 Ca 0.09 0.13 -0.15 0.00 -1.10 0.00 0.00 62.75 61.72 1aqx n ILE 143 Cb 0.60 -0.94 -0.06 0.00 -0.84 0.00 0.00 39.64 38.40 1aqx n ILE 143 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1aqx s VAL 144 N -2.44 0.00 0.01 9.51 1.01 -1.26 -4.69 120.40 122.54 1aqx s VAL 144 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1aqx s VAL 144 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1aqx s VAL 144 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1aqx n GLY 145 N 1.20 -0.47 0.47 4.51 0.00 -1.26 -4.47 105.19 105.18 1aqx n GLY 145 Ca -0.16 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.59 1.90 -4.78 1.61 5.68 -1.26 -4.48 116.55 111.63 1aqx n ASP 146 Ca 0.00 -1.45 -0.23 0.00 -0.50 0.00 0.00 54.79 52.61 1aqx n ASP 146 Cb 0.02 0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 1aqx n ASP 146 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aqx s GLN 147 N -1.96 2.36 0.63 0.11 1.03 -1.26 -4.81 119.66 115.77 1aqx s GLN 147 Ca 0.16 -1.67 -0.12 0.00 0.04 0.00 0.00 55.36 53.77 1aqx s GLN 147 Cb 0.15 -2.15 -0.03 0.00 0.03 0.00 0.00 33.01 31.01 1aqx s GLN 147 CO 0.41 -0.08 1.04 -1.50 -2.54 0.00 0.00 175.29 172.61 1aqx s ILE 148 N -2.52 4.36 0.20 3.63 2.07 -1.26 -4.77 121.20 122.91 1aqx s ILE 148 Ca 0.42 0.83 -0.01 0.00 -1.41 0.00 0.00 60.65 60.49 1aqx s ILE 148 Cb 0.00 -3.64 -0.04 0.00 0.13 0.00 0.00 42.46 38.91 1aqx s ILE 148 CO 0.24 -0.94 0.13 -0.94 -1.91 0.00 0.00 174.94 171.52 1aqx s SER 149 N -3.79 0.20 0.00 4.50 1.04 -1.26 -4.53 113.70 109.86 1aqx s SER 149 Ca 0.57 -1.38 0.20 0.00 0.48 0.00 0.00 55.95 55.82 1aqx s SER 149 Cb -0.12 0.37 0.85 0.00 0.10 0.00 0.00 66.02 67.22 1aqx s SER 149 CO 0.50 -0.83 1.63 2.22 0.98 0.00 0.00 173.24 177.75 1aqx n PHE 150 N -0.27 0.00 0.23 5.02 1.16 -0.13 -1.40 117.46 122.06 1aqx n PHE 150 Ca 0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.72 1aqx n PHE 150 Cb 0.66 -0.49 0.11 0.00 -1.61 0.00 0.00 39.48 38.15 1aqx n PHE 150 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1aqx h ALA 151 N 2.69 0.75 0.00 1.98 0.00 -1.84 -3.26 119.26 119.59 1aqx h ALA 151 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1aqx h ALA 151 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1aqx h ALA 151 CO 0.00 0.00 -0.68 -0.44 0.00 0.00 0.00 179.25 178.13 1aqx h ASP 152 N 0.00 0.00 1.29 0.00 3.32 -1.63 -1.67 116.42 117.73 1aqx h ASP 152 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1aqx h ASP 152 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1aqx h ASP 152 CO 0.00 0.68 -0.74 1.88 -1.72 0.00 0.00 179.24 179.34 1aqx h TYR 153 N 0.00 0.00 0.19 4.55 0.05 -1.63 -1.32 116.97 118.81 1aqx h TYR 153 Ca -0.01 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.46 1aqx h TYR 153 Cb 1.22 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.98 1aqx h TYR 153 CO 0.00 0.23 -1.49 -0.97 -1.05 0.00 0.00 178.16 174.88 1aqx h ASN 154 N 0.00 0.62 0.79 3.88 -0.00 -1.58 -3.05 115.58 116.24 1aqx h ASN 154 Ca -0.04 -0.92 -0.17 0.00 -0.00 0.00 0.00 56.30 55.17 1aqx h ASN 154 Cb 1.21 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 39.30 1aqx h ASN 154 CO 0.02 1.69 -0.80 0.25 -0.00 0.00 0.00 177.43 178.59 1aqx h LEU 155 N -0.02 0.02 -1.35 0.34 5.85 -1.39 0.40 115.31 119.16 1aqx h LEU 155 Ca -0.29 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1aqx h LEU 155 Cb 2.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1aqx h LEU 155 CO 0.18 0.81 0.00 0.25 -0.34 0.00 0.00 178.44 179.34 1aqx h LEU 156 N 0.01 0.00 0.00 2.25 5.85 -1.30 -1.77 115.31 120.35 1aqx h LEU 156 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1aqx h LEU 156 Cb 1.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1aqx h LEU 156 CO 0.11 0.00 -1.95 -0.67 -0.34 0.00 0.00 178.44 175.59 1aqx n ASP 157 N -2.77 0.94 0.10 1.25 -0.08 -0.90 -2.32 116.55 112.78 1aqx n ASP 157 Ca 0.01 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.41 1aqx n ASP 157 Cb 0.25 1.42 0.45 0.00 2.34 0.00 0.00 41.12 45.58 1aqx n ASP 157 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1aqx n LEU 158 N -2.33 0.63 -0.00 -2.67 7.94 0.14 -2.39 117.00 118.32 1aqx n LEU 158 Ca -0.13 0.60 0.06 0.00 -1.11 0.00 0.00 56.01 55.43 1aqx n LEU 158 Cb 0.71 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 44.14 1aqx n LEU 158 CO 0.36 -0.31 -0.15 0.18 -1.11 0.00 0.00 177.39 176.36 1aqx n LEU 159 N -2.13 0.49 0.05 -1.96 4.77 -0.69 -3.63 117.00 113.90 1aqx n LEU 159 Ca 0.04 -0.40 0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1aqx n LEU 159 Cb 0.33 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.59 1aqx n LEU 159 CO 0.25 0.12 0.34 0.18 -1.33 0.00 0.00 177.39 176.96 1aqx n LEU 160 N -1.44 0.66 -0.00 2.23 4.77 -0.98 -3.83 117.00 118.41 1aqx n LEU 160 Ca 0.01 0.19 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1aqx n LEU 160 Cb 0.23 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1aqx n LEU 160 CO 0.27 -0.03 -0.47 2.30 -1.33 0.00 0.00 177.39 178.12 1aqx n ILE 161 N -2.02 0.00 0.23 -0.08 -5.35 -1.04 -4.32 119.36 106.77 1aqx n ILE 161 Ca 0.03 -0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.35 1aqx n ILE 161 Cb 0.43 0.42 0.14 0.00 -1.74 0.00 0.00 39.64 38.89 1aqx n ILE 161 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1aqx h HIS 162 N 0.00 0.00 0.00 4.28 3.86 -1.68 -2.95 115.15 118.66 1aqx h HIS 162 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1aqx h HIS 162 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1aqx h HIS 162 CO 0.00 0.00 0.00 0.93 0.86 0.00 0.00 177.93 179.72 1aqx h GLU 163 N 0.00 0.00 0.00 2.45 4.39 -1.75 -2.22 114.58 117.44 1aqx h GLU 163 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1aqx h GLU 163 Cb 0.98 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1aqx h GLU 163 CO 0.00 0.00 -0.76 0.28 -1.16 0.00 0.00 179.01 177.37 1aqx h VAL 164 N 0.00 0.03 -0.00 3.13 2.07 -1.72 0.14 116.25 119.89 1aqx h VAL 164 Ca 0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.47 1aqx h VAL 164 Cb 0.82 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1aqx h VAL 164 CO 0.00 0.02 -0.65 -0.11 0.02 0.00 0.00 177.57 176.84 1aqx n LEU 165 N -2.80 0.92 -2.73 2.57 7.94 -1.10 -4.62 117.00 117.18 1aqx n LEU 165 Ca 0.01 -0.30 -0.03 0.00 -1.11 0.00 0.00 56.01 54.57 1aqx n LEU 165 Cb 0.56 -0.11 0.02 0.00 0.53 0.00 0.00 43.42 44.42 1aqx n LEU 165 CO 0.39 0.21 0.30 0.00 -1.11 0.00 0.00 177.39 177.18 1aqx s ALA 166 N -2.88 -3.34 0.22 1.96 0.00 -0.85 -5.07 121.76 111.80 1aqx s ALA 166 Ca 0.12 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1aqx s ALA 166 Cb 0.17 -2.86 -0.16 0.00 0.00 0.00 0.00 23.12 20.28 1aqx s ALA 166 CO 0.73 -2.39 0.93 -2.30 0.00 0.00 0.00 175.76 172.73 1aqx n PRO 167 N 2.82 0.88 -2.34 0.00 -0.02 0.47 -3.56 135.00 133.25 1aqx n PRO 167 Ca 0.14 0.31 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1aqx n PRO 167 Cb 0.61 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 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 1.66 -3.68 0.00 -1.23 0.00 -1.26 -4.96 105.19 95.72 1aqx n GLY 168 Ca 0.14 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 2.87 0.00 0.00 4.77 -1.26 -4.55 117.00 118.84 1aqx n LEU 170 Ca 0.00 -1.88 0.12 0.00 -0.03 0.00 0.00 56.01 54.21 1aqx n LEU 170 Cb 0.00 -0.22 0.59 0.00 -2.33 0.00 0.00 43.42 41.46 1aqx n LEU 170 CO 0.00 0.70 0.89 0.47 -1.33 0.00 0.00 177.39 178.13 1aqx n ASP 171 N 0.60 0.00 -0.34 -1.43 8.00 -1.26 -2.85 116.55 119.26 1aqx n ASP 171 Ca 0.12 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.66 1aqx n ASP 171 Cb 0.42 -0.31 0.04 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.31 2.49 -3.85 2.24 0.00 -1.26 -4.81 120.51 114.00 1aqx n ALA 172 Ca 0.11 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 1aqx n ALA 172 Cb 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 1aqx n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aqx s PHE 173 N -0.72 2.79 0.13 0.00 0.08 -1.13 -5.01 117.98 114.12 1aqx s PHE 173 Ca 0.10 -2.94 -0.23 0.00 0.12 0.00 0.00 56.93 53.98 1aqx s PHE 173 Cb 0.07 -2.46 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 1aqx s PHE 173 CO 0.11 -0.73 1.65 -1.00 -0.10 0.00 0.00 175.22 175.15 1aqx h PRO 174 N 6.42 -0.26 0.00 0.24 0.13 -1.87 -2.37 132.00 134.29 1aqx h PRO 174 Ca -0.02 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1aqx h PRO 174 Cb 0.89 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1aqx h PRO 174 CO 0.62 -0.17 0.00 1.28 -0.23 0.00 0.00 178.00 179.50 1aqx n LEU 175 N -5.34 0.01 0.03 1.56 4.77 -1.26 -2.26 117.00 114.51 1aqx n LEU 175 Ca -0.03 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 1aqx n LEU 175 Cb 0.25 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1aqx n LEU 175 CO 0.20 -0.19 -0.17 0.18 -1.33 0.00 0.00 177.39 176.09 1aqx n LEU 176 N -1.51 0.54 0.03 2.23 4.77 -0.96 -2.61 117.00 119.48 1aqx n LEU 176 Ca 0.04 0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1aqx n LEU 176 Cb 0.22 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1aqx n LEU 176 CO 0.17 -0.00 -0.33 -1.20 -1.33 0.00 0.00 177.39 174.70 1aqx n SER 177 N -2.14 0.81 0.02 -1.43 7.64 -0.93 -3.64 113.62 113.94 1aqx n SER 177 Ca 0.00 0.36 0.11 0.00 1.01 0.00 0.00 58.87 60.35 1aqx n SER 177 Cb 0.48 0.23 -0.10 0.00 -1.01 0.00 0.00 64.21 63.82 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 -2.40 3.15 0.16 -0.43 0.00 -1.03 -3.07 120.51 116.89 1aqx n ALA 178 Ca -0.10 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 52.96 1aqx n ALA 178 Cb 0.84 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.52 1aqx n ALA 178 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1aqx h TYR 179 N 0.00 0.00 0.00 0.00 5.03 -1.65 -2.90 116.97 117.45 1aqx h TYR 179 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1aqx h TYR 179 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1aqx h TYR 179 CO 0.00 0.20 -1.00 0.28 -1.32 0.00 0.00 178.16 176.32 1aqx n VAL 180 N -3.06 0.33 0.06 1.81 0.31 -1.24 -2.94 118.33 113.60 1aqx n VAL 180 Ca 0.02 -0.36 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 1aqx n VAL 180 Cb 0.62 -0.05 -0.13 0.00 -0.91 0.00 0.00 33.84 33.37 1aqx n VAL 180 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1aqx h GLY 181 N 4.34 0.16 1.83 2.92 0.00 -1.51 -3.08 103.07 107.72 1aqx h GLY 181 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1aqx h GLY 181 CO 0.00 0.36 -0.27 -0.09 0.00 0.00 0.00 176.54 176.54 1aqx h ARG 182 N 0.04 0.00 0.00 4.80 2.43 -1.60 -1.67 114.38 118.39 1aqx h ARG 182 Ca -0.15 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.81 1aqx h ARG 182 Cb 1.93 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.44 1aqx h ARG 182 CO 0.15 0.09 -1.25 -0.07 -1.51 0.00 0.00 179.97 177.38 1aqx h LEU 183 N 0.00 0.00 -0.25 3.80 4.07 -1.63 -3.24 115.31 118.05 1aqx h LEU 183 Ca -0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 1aqx h LEU 183 Cb 1.08 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1aqx h LEU 183 CO 0.01 0.82 -0.88 0.28 -1.08 0.00 0.00 178.44 177.59 1aqx h SER 184 N 0.00 0.02 0.08 -0.43 0.02 -1.48 -2.96 113.55 108.80 1aqx h SER 184 Ca -0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1aqx h SER 184 Cb 1.74 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.28 1aqx h SER 184 CO 0.08 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.66 1aqx n ALA 185 N -2.38 2.52 -1.98 3.77 0.00 -0.63 -3.35 120.51 118.46 1aqx n ALA 185 Ca -0.01 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1aqx n ALA 185 Cb 0.83 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 1aqx n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aqx s ARG 186 N -2.09 4.37 0.01 0.00 0.52 -1.12 -4.85 118.95 115.79 1aqx s ARG 186 Ca 0.40 2.09 -0.02 0.00 -0.52 0.00 0.00 55.73 57.68 1aqx s ARG 186 Cb 0.19 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 1aqx s ARG 186 CO 0.34 -0.27 0.94 -2.30 0.02 0.00 0.00 175.30 174.03 1aqx n PRO 187 N 2.54 -0.03 0.09 3.54 -0.02 -1.26 0.10 135.00 139.96 1aqx n PRO 187 Ca 0.06 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.61 1aqx n PRO 187 Cb 0.42 -1.41 0.44 0.00 -0.02 0.00 0.00 33.50 32.93 1aqx n PRO 187 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1aqx n LYS 188 N -3.09 0.22 0.05 -0.52 2.85 -1.26 -3.51 118.16 112.91 1aqx n LYS 188 Ca 0.00 0.19 -0.02 0.00 -1.05 0.00 0.00 58.31 57.44 1aqx n LYS 188 Cb 0.02 -1.76 -0.07 0.00 -0.65 0.00 0.00 35.03 32.56 1aqx n LYS 188 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1aqx h LEU 189 N 0.00 0.00 0.00 -5.58 5.85 -1.64 -3.19 115.31 110.75 1aqx h LEU 189 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1aqx h LEU 189 Cb 0.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1aqx h LEU 189 CO 0.00 0.69 -0.72 0.50 -0.34 0.00 0.00 178.44 178.57 1aqx h LYS 190 N 0.00 0.00 0.00 1.25 3.64 -0.34 -2.81 116.57 118.31 1aqx h LYS 190 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1aqx h LYS 190 Cb 1.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 1aqx h LYS 190 CO 0.07 0.40 -0.52 0.00 -2.27 0.00 0.00 179.45 177.13 1aqx h ALA 191 N 1.53 0.72 0.04 5.00 0.00 -1.68 -3.13 119.26 121.74 1aqx h ALA 191 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1aqx h ALA 191 Cb 1.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1aqx h ALA 191 CO 0.05 0.00 -1.36 0.35 0.00 0.00 0.00 179.25 178.30 1aqx h PHE 192 N 0.00 0.16 0.00 0.00 3.57 -1.53 -2.60 116.94 116.53 1aqx h PHE 192 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1aqx h PHE 192 Cb 0.92 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1aqx h PHE 192 CO 0.00 1.13 0.00 1.28 -2.23 0.00 0.00 178.31 178.49 1aqx n LEU 193 N -3.31 0.39 -0.39 0.59 4.77 -1.06 -2.24 117.00 115.75 1aqx n LEU 193 Ca -0.10 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 1aqx n LEU 193 Cb 1.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1aqx n LEU 193 CO 0.48 -0.24 0.28 0.00 -1.33 0.00 0.00 177.39 176.58 1aqx n ALA 194 N -1.65 3.11 -1.75 -1.18 0.00 -1.18 -4.52 120.51 113.35 1aqx n ALA 194 Ca 0.05 -0.55 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 1aqx n ALA 194 Cb 0.30 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.85 6.14 0.56 0.00 1.04 -0.95 -4.82 113.70 113.82 1aqx s SER 195 Ca 0.14 1.85 0.25 0.00 0.48 0.00 0.00 55.95 58.67 1aqx s SER 195 Cb 0.13 -2.54 1.49 0.00 0.10 0.00 0.00 66.02 65.19 1aqx s SER 195 CO 0.39 -0.92 2.07 1.55 0.98 0.00 0.00 173.24 177.30 1aqx h PRO 196 N 1.03 0.00 0.00 4.02 0.13 -1.92 -0.19 132.00 135.08 1aqx h PRO 196 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1aqx h PRO 196 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1aqx h PRO 196 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1aqx n GLU 197 N -4.14 0.27 0.00 0.86 0.28 -1.26 -0.91 120.64 115.73 1aqx n GLU 197 Ca 0.04 0.10 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1aqx n GLU 197 Cb 0.39 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.76 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 -1.30 0.00 0.04 -1.84 4.19 -0.19 -4.73 117.16 113.33 1aqx n TYR 198 Ca 0.09 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.29 1aqx n TYR 198 Cb 0.17 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 39.92 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 0.00 0.61 -0.18 2.97 2.07 -1.29 -3.31 116.25 117.11 1aqx h VAL 199 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 1aqx h VAL 199 Cb 0.99 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1aqx h VAL 199 CO 0.00 0.35 0.00 0.59 0.02 0.00 0.00 177.57 178.53 1aqx n ASN 200 N -2.96 1.15 -4.42 0.57 3.02 -0.09 -4.77 115.26 107.77 1aqx n ASN 200 Ca -0.09 -2.03 -0.29 0.00 -0.03 0.00 0.00 54.58 52.15 1aqx n ASN 200 Cb 0.85 -0.18 -0.12 0.00 -0.61 0.00 0.00 39.78 39.72 1aqx n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1aqx s LEU 201 N -0.96 2.42 0.79 3.41 1.43 -1.25 -5.02 118.68 119.51 1aqx s LEU 201 Ca 0.13 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 1aqx s LEU 201 Cb 0.07 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1aqx s LEU 201 CO 0.08 0.17 1.14 -2.16 0.23 0.00 0.00 176.35 175.81 1aqx s PRO 202 N -2.16 1.83 0.18 1.29 0.04 -1.26 -4.87 135.00 130.05 1aqx s PRO 202 Ca 0.16 -0.13 0.17 0.00 0.04 0.00 0.00 61.00 61.24 1aqx s PRO 202 Cb -0.10 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1aqx s PRO 202 CO 0.07 -1.60 1.13 0.82 0.04 0.00 0.00 177.00 177.47 1aqx h ILE 203 N -0.98 0.57 -2.93 0.56 5.03 -1.89 -2.67 117.51 115.21 1aqx h ILE 203 Ca -0.45 -1.94 -0.51 0.00 -0.12 0.00 0.00 64.86 61.84 1aqx h ILE 203 Cb 1.31 2.13 -0.13 0.00 -3.03 0.00 0.00 36.82 37.10 1aqx h ILE 203 CO 0.59 0.33 -0.54 0.20 -0.68 0.00 0.00 178.15 178.05 1aqx s ASN 204 N -6.03 2.46 0.00 1.72 0.02 -1.26 -2.26 114.94 109.59 1aqx s ASN 204 Ca 0.01 -1.59 0.21 0.00 -1.02 0.00 0.00 52.86 50.46 1aqx s ASN 204 Cb 0.08 0.37 0.53 0.00 0.02 0.00 0.00 41.25 42.25 1aqx s ASN 204 CO 0.78 -0.86 1.44 0.61 0.02 0.00 0.00 177.10 179.09 1aqx n GLY 205 N -0.80 1.38 0.05 0.66 0.00 -1.26 -4.10 105.19 101.12 1aqx n GLY 205 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 1.12 2.03 0.00 1.61 0.23 -1.26 -5.02 115.26 113.98 1aqx n ASN 206 Ca 0.19 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.28 1aqx n ASN 206 Cb 0.50 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.40 2.50 3.13 4.83 0.00 -1.26 -5.02 105.19 108.97 1aqx n GLY 207 Ca 0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1aqx n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqx n LYS 208 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.81 118.16 117.71 1aqx n LYS 208 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1aqx n LYS 208 Cb 0.00 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1aqx n LYS 208 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33