#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 3.49 0.00 0.54 2.02 -1.26 -3.65 117.35 118.49 1aqx s TYR 3 Ca 0.00 0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.85 1aqx s TYR 3 Cb 0.00 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1aqx s TYR 3 CO 0.00 0.22 0.24 0.99 -1.57 0.00 0.00 175.55 175.43 1aqx s THR 4 N -2.20 0.08 -0.03 -0.71 2.01 -1.20 -1.62 115.64 111.97 1aqx s THR 4 Ca 0.38 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1aqx s THR 4 Cb -0.10 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.81 1aqx s THR 4 CO 0.34 -0.34 0.00 -0.69 -0.69 0.00 0.00 174.62 173.24 1aqx s VAL 5 N -1.64 0.13 0.09 3.82 1.01 -1.13 -2.86 120.40 119.81 1aqx s VAL 5 Ca -0.12 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1aqx s VAL 5 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1aqx s VAL 5 CO 0.02 0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.49 1aqx s VAL 6 N 0.93 3.62 0.00 2.92 1.01 -0.22 -0.91 120.40 127.74 1aqx s VAL 6 Ca -0.09 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1aqx s VAL 6 Cb -0.12 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1aqx s VAL 6 CO -0.02 0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.22 1aqx n TYR 7 N 0.73 0.00 -2.45 5.22 9.36 -1.25 -2.30 117.16 126.47 1aqx n TYR 7 Ca -0.13 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.84 1aqx n TYR 7 Cb 0.52 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.27 1aqx n TYR 7 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1aqx s PHE 8 N -2.00 3.11 -1.13 2.98 0.08 -1.26 -0.49 117.98 119.26 1aqx s PHE 8 Ca 0.00 0.45 -0.15 0.00 0.12 0.00 0.00 56.93 57.35 1aqx s PHE 8 Cb 0.00 -2.80 -0.07 0.00 -0.57 0.00 0.00 43.02 39.58 1aqx s PHE 8 CO 0.00 -0.92 2.20 -0.35 -0.10 0.00 0.00 175.22 176.05 1aqx n PRO 9 N -2.57 2.34 -4.26 0.24 -0.04 -1.25 -4.79 135.00 124.67 1aqx n PRO 9 Ca 0.05 -2.05 -0.16 0.00 -0.04 0.00 0.00 63.50 61.31 1aqx n PRO 9 Cb 0.59 -2.92 -0.09 0.00 -0.04 0.00 0.00 33.50 31.03 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 3.73 0.07 -0.12 0.52 -7.23 -1.26 -4.59 120.40 111.53 1aqx s VAL 10 Ca 0.52 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1aqx s VAL 10 Cb 0.14 -2.50 -0.24 0.00 0.56 0.00 0.00 36.38 34.34 1aqx s VAL 10 CO -0.00 0.00 0.36 -1.14 -0.31 0.00 0.00 175.10 174.01 1aqx n ARG 11 N -0.46 0.69 0.00 4.82 0.63 -0.10 -4.87 116.66 117.37 1aqx n ARG 11 Ca 0.04 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1aqx n ARG 11 Cb 0.64 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.87 1aqx n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aqx n GLY 12 N 1.82 0.00 0.00 5.14 0.00 -0.78 0.28 105.19 111.65 1aqx n GLY 12 Ca -0.28 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 0.71 0.00 1.61 1.74 -1.26 -2.83 116.66 116.63 1aqx n ARG 13 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1aqx n ARG 13 Cb 0.00 -1.20 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.12 1.00 0.00 0.00 0.00 -0.01 -2.96 119.26 118.41 1aqx h ALA 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1aqx h ALA 15 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1aqx h ALA 15 CO 0.00 0.00 -1.79 0.00 0.00 0.00 0.00 179.25 177.46 1aqx n ALA 16 N -1.93 1.51 0.88 0.00 0.00 -1.26 -3.57 120.51 116.13 1aqx n ALA 16 Ca 0.01 -0.83 0.13 0.00 0.00 0.00 0.00 53.44 52.75 1aqx n ALA 16 Cb 0.23 -0.77 0.47 0.00 0.00 0.00 0.00 19.45 19.39 1aqx n ALA 16 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1aqx n LEU 17 N -3.00 0.33 0.11 0.00 -0.00 -1.16 -2.87 117.00 110.41 1aqx n LEU 17 Ca -0.19 0.42 0.09 0.00 -0.00 0.00 0.00 56.01 56.33 1aqx n LEU 17 Cb 1.06 -0.39 0.02 0.00 -0.00 0.00 0.00 43.42 44.10 1aqx n LEU 17 CO 0.45 -0.03 0.12 0.03 -0.00 0.00 0.00 177.39 177.96 1aqx h ARG 18 N 0.00 0.00 0.00 1.47 3.08 -1.63 -3.14 114.38 114.16 1aqx h ARG 18 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1aqx h ARG 18 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1aqx h ARG 18 CO 0.00 0.08 -0.65 0.52 -1.07 0.00 0.00 179.97 178.85 1aqx h MET 19 N 0.00 0.00 0.04 0.04 2.86 -1.58 -2.05 114.93 114.24 1aqx h MET 19 Ca -0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.33 1aqx h MET 19 Cb 1.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1aqx h MET 19 CO 0.01 0.61 -1.49 1.25 1.06 0.00 0.00 176.91 178.35 1aqx h LEU 20 N 0.00 0.14 -0.20 1.22 6.46 -1.65 -2.21 115.31 119.07 1aqx h LEU 20 Ca -0.01 -0.21 -0.22 0.00 -0.12 0.00 0.00 57.88 57.32 1aqx h LEU 20 Cb 1.48 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1aqx h LEU 20 CO 0.08 1.18 -0.93 -0.07 -0.62 0.00 0.00 178.44 178.08 1aqx h LEU 21 N 0.02 0.42 0.00 2.25 3.38 -1.57 0.13 115.31 119.95 1aqx h LEU 21 Ca -0.21 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 1aqx h LEU 21 Cb 1.95 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1aqx h LEU 21 CO 0.12 1.15 -0.25 0.00 0.09 0.00 0.00 178.44 179.55 1aqx h ALA 22 N 0.82 0.86 0.00 1.53 0.00 -1.46 -2.14 119.26 118.87 1aqx h ALA 22 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1aqx h ALA 22 Cb 1.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1aqx h ALA 22 CO 0.15 0.20 -1.55 -3.47 0.00 0.00 0.00 179.25 174.58 1aqx n ASP 23 N -3.10 0.40 -0.00 0.00 2.03 -0.83 -4.12 116.55 110.92 1aqx n ASP 23 Ca 0.03 -0.31 0.14 0.00 0.52 0.00 0.00 54.79 55.17 1aqx n ASP 23 Cb 0.60 1.50 0.64 0.00 -0.72 0.00 0.00 41.12 43.15 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 -2.01 0.09 -0.60 -0.67 1.13 0.45 -4.86 117.38 110.92 1aqx n GLN 24 Ca -0.01 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1aqx n GLN 24 Cb 0.48 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.33 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 1.45 0.75 2.10 1.08 0.00 -1.24 -5.07 105.19 104.26 1aqx n GLY 25 Ca 0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1aqx n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1aqx n GLN 26 N -2.28 0.66 -3.62 1.61 1.13 -0.81 -5.08 117.38 108.99 1aqx n GLN 26 Ca 0.00 -1.63 -0.13 0.00 -1.94 0.00 0.00 57.00 53.29 1aqx n GLN 26 Cb 0.04 -0.18 -0.06 0.00 0.11 0.00 0.00 30.24 30.15 1aqx n GLN 26 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1aqx s SER 27 N -2.99 -0.36 0.21 1.08 0.15 -1.26 -4.69 113.70 105.84 1aqx s SER 27 Ca 0.33 0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.87 1aqx s SER 27 Cb -0.02 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1aqx s SER 27 CO 0.21 -0.68 0.63 -1.66 1.20 0.00 0.00 173.24 172.94 1aqx s TRP 28 N -2.39 -0.33 0.25 3.44 -2.14 -1.26 -4.27 118.94 112.25 1aqx s TRP 28 Ca -0.06 0.00 0.06 0.00 2.66 0.00 0.00 56.10 58.76 1aqx s TRP 28 Cb -0.01 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.91 1aqx s TRP 28 CO -0.01 -1.01 0.32 0.21 -2.66 0.00 0.00 176.95 173.80 1aqx s LYS 29 N -3.84 3.25 0.16 3.25 2.20 -0.64 -5.00 119.74 119.13 1aqx s LYS 29 Ca 0.06 -0.88 0.09 0.00 -0.36 0.00 0.00 55.97 54.89 1aqx s LYS 29 Cb -0.03 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1aqx s LYS 29 CO -0.04 0.38 -0.20 -1.21 -0.36 0.00 0.00 175.35 173.92 1aqx s GLU 30 N -3.96 1.33 0.08 4.03 0.41 -1.26 -2.85 118.70 116.48 1aqx s GLU 30 Ca 0.35 -1.41 0.04 0.00 -0.41 0.00 0.00 54.97 53.54 1aqx s GLU 30 Cb -0.09 -1.50 -0.03 0.00 -1.78 0.00 0.00 34.13 30.73 1aqx s GLU 30 CO 0.28 0.32 -0.11 -2.00 -0.49 0.00 0.00 175.26 173.26 1aqx s GLU 31 N -2.63 0.80 0.04 1.61 2.56 -0.09 -4.86 118.70 116.13 1aqx s GLU 31 Ca 0.16 -1.04 0.01 0.00 0.00 0.00 0.00 54.97 54.11 1aqx s GLU 31 Cb -0.07 -0.61 -0.03 0.00 2.00 0.00 0.00 34.13 35.42 1aqx s GLU 31 CO 0.07 0.11 -0.06 0.08 -0.56 0.00 0.00 175.26 174.90 1aqx s VAL 32 N -1.90 0.43 -0.10 3.70 1.01 -1.26 -3.81 120.40 118.47 1aqx s VAL 32 Ca 0.01 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1aqx s VAL 32 Cb -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1aqx s VAL 32 CO 0.01 -0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 173.78 1aqx s VAL 33 N -1.72 2.88 0.88 2.92 1.01 0.35 -4.93 120.40 121.79 1aqx s VAL 33 Ca -0.09 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 1aqx s VAL 33 Cb -0.08 -2.16 0.14 0.00 0.00 0.00 0.00 36.38 34.28 1aqx s VAL 33 CO -0.01 0.55 1.23 -0.89 0.00 0.00 0.00 175.10 175.99 1aqx s THR 34 N 0.00 2.03 -0.05 3.92 2.01 -1.26 -3.84 115.64 118.44 1aqx s THR 34 Ca -0.05 -0.05 0.31 0.00 0.31 0.00 0.00 61.69 62.22 1aqx s THR 34 Cb -0.14 -2.98 0.37 0.00 0.01 0.00 0.00 72.50 69.75 1aqx s THR 34 CO 0.04 0.00 1.91 1.62 -0.69 0.00 0.00 174.62 177.50 1aqx h VAL 35 N -1.31 0.00 0.00 3.82 3.04 -1.99 -3.14 116.25 116.66 1aqx h VAL 35 Ca -0.45 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1aqx h VAL 35 Cb 1.28 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1aqx h VAL 35 CO 0.50 0.00 -1.52 -1.84 -1.01 0.00 0.00 177.57 173.70 1aqx n GLU 36 N -2.95 0.78 0.12 4.17 0.00 -1.26 -3.89 120.64 117.61 1aqx n GLU 36 Ca 0.01 -0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.18 1aqx n GLU 36 Cb 0.32 -1.36 0.44 0.00 0.00 0.00 0.00 31.44 30.84 1aqx n GLU 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1aqx n THR 37 N -1.91 0.70 0.96 3.84 -1.04 -1.19 -1.56 114.28 114.08 1aqx n THR 37 Ca -0.02 -0.08 0.10 0.00 -2.04 0.00 0.00 64.05 62.01 1aqx n THR 37 Cb 0.39 -0.83 -0.10 0.00 -1.82 0.00 0.00 70.33 67.97 1aqx n THR 37 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1aqx n TRP 38 N -2.29 0.00 1.50 -1.42 -0.00 -1.23 -3.58 117.44 110.40 1aqx n TRP 38 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.68 1aqx n TRP 38 Cb 0.35 0.00 0.61 0.00 -0.00 0.00 0.00 31.31 32.27 1aqx n TRP 38 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1aqx n GLN 39 N -1.29 1.01 -3.04 5.87 6.02 -0.60 -4.71 117.38 120.63 1aqx n GLN 39 Ca 0.05 -0.42 -0.20 0.00 -0.01 0.00 0.00 57.00 56.42 1aqx n GLN 39 Cb 0.34 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.15 1aqx n GLN 39 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1aqx n GLU 40 N -0.63 0.67 -0.00 -1.09 0.00 -1.07 -5.03 120.64 113.48 1aqx n GLU 40 Ca 0.17 -2.95 0.09 0.00 0.00 0.00 0.00 57.16 54.47 1aqx n GLU 40 Cb 0.28 -0.07 -0.12 0.00 0.00 0.00 0.00 31.44 31.53 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 -1.39 -0.87 0.00 8.31 0.00 -1.26 -4.57 105.19 105.41 1aqx n GLY 41 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.60 0.00 0.00 1.61 3.41 -1.26 -2.20 113.62 113.58 1aqx n SER 42 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1aqx n SER 42 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1aqx n SER 42 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1aqx n LEU 43 N -0.66 0.00 0.02 1.04 7.94 -1.26 -4.84 117.00 119.24 1aqx n LEU 43 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1aqx n LEU 43 Cb 0.00 0.00 0.32 0.00 0.53 0.00 0.00 43.42 44.27 1aqx n LEU 43 CO 0.00 0.00 0.57 1.17 -1.11 0.00 0.00 177.39 178.02 1aqx n LYS 44 N 0.00 0.08 -0.00 1.96 4.81 -0.93 -3.37 118.16 120.71 1aqx n LYS 44 Ca 0.00 0.03 0.06 0.00 -0.87 0.00 0.00 58.31 57.53 1aqx n LYS 44 Cb 0.00 -1.56 -0.07 0.00 0.02 0.00 0.00 35.03 33.42 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 -1.59 3.55 0.71 3.14 0.00 -1.20 -3.88 120.51 121.23 1aqx n ALA 45 Ca 0.05 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.26 1aqx n ALA 45 Cb 0.37 -0.46 0.26 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.36 0.61 -4.85 0.00 3.41 -1.23 -4.84 113.62 105.36 1aqx n SER 46 Ca 0.02 0.14 -0.35 0.00 -0.26 0.00 0.00 58.87 58.42 1aqx n SER 46 Cb 0.21 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 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 3.63 0.00 -1.05 0.00 5.85 -1.88 -2.70 115.31 119.15 1aqx h LEU 48 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1aqx h LEU 48 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1aqx h LEU 48 CO 0.66 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 177.54 1aqx n TYR 49 N -2.58 0.00 -1.13 1.25 4.01 -1.26 -4.97 117.16 112.48 1aqx n TYR 49 Ca -0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.90 57.67 1aqx n TYR 49 Cb 0.10 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.02 0.68 3.24 2.72 0.00 -1.02 -5.01 105.19 105.78 1aqx n GLY 50 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.37 1.33 0.24 1.61 -0.21 -1.26 -4.85 119.66 114.15 1aqx s GLN 51 Ca 0.00 -1.69 0.05 0.00 0.02 0.00 0.00 55.36 53.74 1aqx s GLN 51 Cb 0.00 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.25 1aqx s GLN 51 CO 0.00 -0.46 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.15 1aqx s LEU 52 N -3.20 2.39 0.83 2.90 1.43 -1.26 -4.76 118.68 117.01 1aqx s LEU 52 Ca 0.39 -1.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 1aqx s LEU 52 Cb 0.06 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.82 1aqx s LEU 52 CO 0.15 -0.39 0.60 -0.81 0.23 0.00 0.00 176.35 176.14 1aqx n PRO 53 N -0.45 0.04 -4.11 1.29 -0.04 -1.26 -4.98 135.00 125.49 1aqx n PRO 53 Ca -0.06 0.07 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 1aqx n PRO 53 Cb 0.63 -1.95 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 1aqx n PRO 53 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1aqx s LYS 54 N -3.36 0.65 0.08 0.54 2.20 -0.97 -4.23 119.74 114.64 1aqx s LYS 54 Ca 0.63 -0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1aqx s LYS 54 Cb -0.28 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 1aqx s LYS 54 CO 0.61 0.07 -0.01 0.12 -0.36 0.00 0.00 175.35 175.77 1aqx s PHE 55 N -1.72 0.70 0.00 4.03 5.36 -0.74 -1.06 117.98 124.55 1aqx s PHE 55 Ca -0.04 -1.08 -0.02 0.00 -0.96 0.00 0.00 56.93 54.83 1aqx s PHE 55 Cb -0.08 -0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 42.15 1aqx s PHE 55 CO 0.00 -0.37 0.02 -1.14 -1.46 0.00 0.00 175.22 172.27 1aqx s GLN 56 N -3.94 0.22 -0.03 10.12 2.00 -1.14 -1.84 119.66 125.07 1aqx s GLN 56 Ca 0.13 -0.31 0.08 0.00 -2.00 0.00 0.00 55.36 53.25 1aqx s GLN 56 Cb 0.07 0.09 0.13 0.00 0.80 0.00 0.00 33.01 34.10 1aqx s GLN 56 CO -0.06 -0.04 1.06 -3.47 -0.50 0.00 0.00 175.29 172.28 1aqx n ASP 57 N 2.18 0.59 0.00 6.67 2.03 -0.91 -3.21 116.55 123.89 1aqx n ASP 57 Ca -0.19 -2.24 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1aqx n ASP 57 Cb 0.57 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1aqx n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1aqx n GLY 58 N -0.18 2.03 0.27 0.27 0.00 -1.24 -4.42 105.19 101.93 1aqx n GLY 58 Ca 0.04 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.53 1.52 -4.90 1.61 5.75 -1.26 -4.95 116.55 114.86 1aqx n ASP 59 Ca 0.00 -1.26 -0.21 0.00 -0.01 0.00 0.00 54.79 53.31 1aqx n ASP 59 Cb 0.00 0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 40.76 1aqx n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1aqx s LEU 60 N -2.62 3.95 0.15 -2.12 2.96 -1.26 -5.12 118.68 114.62 1aqx s LEU 60 Ca 0.13 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1aqx s LEU 60 Cb 0.16 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1aqx s LEU 60 CO 0.66 -0.16 0.11 -0.89 -1.32 0.00 0.00 176.35 174.75 1aqx s THR 61 N -2.12 0.07 0.13 3.68 2.01 -1.26 -2.14 115.64 116.02 1aqx s THR 61 Ca 0.36 -1.84 -0.24 0.00 0.31 0.00 0.00 61.69 60.28 1aqx s THR 61 Cb -0.08 -2.11 0.07 0.00 0.01 0.00 0.00 72.50 70.40 1aqx s THR 61 CO 0.27 -0.34 0.66 -0.76 -0.69 0.00 0.00 174.62 173.77 1aqx s LEU 62 N -3.06 -0.52 0.41 4.42 1.43 -0.76 -4.91 118.68 115.69 1aqx s LEU 62 Ca 0.26 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1aqx s LEU 62 Cb 0.07 2.50 -0.02 0.00 0.03 0.00 0.00 46.19 48.76 1aqx s LEU 62 CO 0.04 -0.92 0.17 -0.31 0.23 0.00 0.00 176.35 175.56 1aqx s TYR 63 N -3.64 1.78 0.23 0.29 1.51 -1.26 -1.79 117.35 114.47 1aqx s TYR 63 Ca 0.02 -1.41 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 1aqx s TYR 63 Cb -0.01 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 1aqx s TYR 63 CO -0.11 -0.46 0.00 1.04 -1.11 0.00 0.00 175.55 174.91 1aqx n GLN 64 N -0.89 -3.07 0.25 -0.62 1.13 -1.26 -4.25 117.38 108.67 1aqx n GLN 64 Ca -0.03 2.22 0.12 0.00 -1.94 0.00 0.00 57.00 57.36 1aqx n GLN 64 Cb 0.64 -2.44 0.67 0.00 0.11 0.00 0.00 30.24 29.22 1aqx n GLN 64 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 1aqx h SER 65 N 1.76 0.00 0.66 1.08 0.02 -1.88 -2.83 113.55 112.36 1aqx h SER 65 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1aqx h SER 65 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1aqx h SER 65 CO 0.00 0.14 -1.42 0.59 -1.14 0.00 0.00 176.83 175.00 1aqx n ASN 66 N -3.60 0.69 0.20 3.07 4.13 -1.26 -2.35 115.26 116.14 1aqx n ASN 66 Ca -0.01 0.29 0.07 0.00 1.68 0.00 0.00 54.58 56.60 1aqx n ASN 66 Cb 0.28 0.55 0.41 0.00 -1.54 0.00 0.00 39.78 39.48 1aqx n ASN 66 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1aqx h THR 67 N 0.00 0.86 0.00 3.41 2.02 -1.68 0.32 112.91 117.84 1aqx h THR 67 Ca -0.11 -1.29 -0.22 0.00 0.77 0.00 0.00 66.41 65.55 1aqx h THR 67 Cb 1.36 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 1aqx h THR 67 CO 0.02 0.31 -1.34 0.40 0.37 0.00 0.00 175.52 175.29 1aqx h ILE 68 N 0.00 0.97 0.00 3.11 2.04 -1.59 -2.46 117.51 119.58 1aqx h ILE 68 Ca -0.00 -2.66 -0.14 0.00 1.00 0.00 0.00 64.86 63.06 1aqx h ILE 68 Cb 0.76 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1aqx h ILE 68 CO 0.04 0.55 -0.67 -0.07 0.00 0.00 0.00 178.15 178.01 1aqx h LEU 69 N 0.00 0.00 0.00 1.44 3.38 -0.94 -2.72 115.31 116.46 1aqx h LEU 69 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1aqx h LEU 69 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1aqx h LEU 69 CO 0.08 0.67 -0.80 0.54 0.09 0.00 0.00 178.44 179.02 1aqx n ARG 70 N -3.36 0.23 0.04 1.13 1.74 0.11 -3.28 116.66 113.27 1aqx n ARG 70 Ca 0.01 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1aqx n ARG 70 Cb 0.76 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 1aqx n ARG 70 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1aqx h HIS 71 N 0.00 0.00 -0.00 -1.55 2.76 -1.34 -3.03 115.15 111.99 1aqx h HIS 71 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1aqx h HIS 71 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 1aqx h HIS 71 CO 0.00 0.78 -0.71 1.28 -1.30 0.00 0.00 177.93 177.97 1aqx n LEU 72 N -3.10 0.87 0.07 0.26 4.77 -1.04 -2.24 117.00 116.59 1aqx n LEU 72 Ca -0.07 -0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 1aqx n LEU 72 Cb 0.90 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.74 1aqx n LEU 72 CO 0.44 0.21 -0.50 1.23 -1.33 0.00 0.00 177.39 177.44 1aqx h GLY 73 N 4.98 0.41 1.58 -0.72 0.00 -1.63 -2.72 103.07 104.98 1aqx h GLY 73 Ca 0.00 -1.05 -0.21 0.00 0.00 0.00 0.00 47.33 46.07 1aqx h GLY 73 CO 0.00 0.92 -0.87 -0.09 0.00 0.00 0.00 176.54 176.50 1aqx h ARG 74 N 0.10 0.38 -0.05 4.80 2.43 -1.62 1.15 114.38 121.57 1aqx h ARG 74 Ca -0.32 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 1aqx h ARG 74 Cb 2.08 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.73 1aqx h ARG 74 CO 0.17 1.05 0.00 0.25 -1.51 0.00 0.00 179.97 179.93 1aqx n THR 75 N -3.76 0.06 -0.66 0.20 -2.24 -0.95 -3.83 114.28 103.08 1aqx n THR 75 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1aqx n THR 75 Cb 0.79 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.21 0.77 -1.71 3.22 4.77 -1.02 -5.02 117.00 118.22 1aqx n LEU 76 Ca 0.18 -0.80 -0.15 0.00 -0.03 0.00 0.00 56.01 55.21 1aqx n LEU 76 Cb 0.35 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1aqx n LEU 76 CO 0.16 0.20 -0.19 0.61 -1.33 0.00 0.00 177.39 176.83 1aqx n GLY 77 N -0.21 -0.20 1.44 -0.72 0.00 0.33 -4.89 105.19 100.94 1aqx n GLY 77 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.15 4.77 -1.23 0.99 4.32 0.37 -4.56 117.00 119.50 1aqx n LEU 78 Ca -0.18 -2.78 0.10 0.00 -0.02 0.00 0.00 56.01 53.14 1aqx n LEU 78 Cb 0.63 -0.59 0.29 0.00 -1.62 0.00 0.00 43.42 42.14 1aqx n LEU 78 CO 0.21 0.70 0.75 0.00 -1.22 0.00 0.00 177.39 177.83 1aqx n TYR 79 N 0.40 0.97 0.00 -1.77 4.19 -1.07 -2.12 117.16 117.76 1aqx n TYR 79 Ca 0.24 -0.53 0.00 0.00 3.31 0.00 0.00 57.90 60.92 1aqx n TYR 79 Cb 0.98 -0.06 0.00 0.00 0.49 0.00 0.00 39.34 40.75 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 1.24 -0.80 0.00 2.98 0.00 -1.26 -3.96 105.19 103.39 1aqx n GLY 80 Ca 0.22 -2.19 0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.04 3.22 -3.32 1.61 2.85 -1.26 -4.96 118.16 116.26 1aqx n LYS 81 Ca 0.00 -0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1aqx n LYS 81 Cb 0.00 -0.87 -0.00 0.00 -0.65 0.00 0.00 35.03 33.50 1aqx n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1aqx n ASP 82 N -1.34 -1.41 0.31 -5.58 5.68 -1.26 -5.02 116.55 107.93 1aqx n ASP 82 Ca 0.00 -2.38 0.20 0.00 -0.50 0.00 0.00 54.79 52.11 1aqx n ASP 82 Cb 0.09 2.46 1.01 0.00 -1.14 0.00 0.00 41.12 43.54 1aqx n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1aqx h GLN 83 N 0.00 0.00 0.00 0.11 7.50 -1.96 -1.64 115.11 119.12 1aqx h GLN 83 Ca -0.24 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 58.77 1aqx h GLN 83 Cb 0.95 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.45 1aqx h GLN 83 CO 0.31 0.02 -2.12 1.04 -1.50 0.00 0.00 178.83 176.58 1aqx n GLN 84 N -3.21 0.70 0.14 1.46 3.00 -1.26 -3.49 117.38 114.72 1aqx n GLN 84 Ca -0.02 -0.12 0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1aqx n GLN 84 Cb 0.15 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.94 1aqx n GLN 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1aqx h GLU 85 N 0.00 0.00 -0.00 -1.09 5.08 -1.87 -1.81 114.58 114.89 1aqx h GLU 85 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1aqx h GLU 85 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1aqx h GLU 85 CO 0.01 0.54 -0.00 0.00 -1.00 0.00 0.00 179.01 178.56 1aqx n ALA 86 N -2.25 2.67 -0.07 3.43 0.00 -0.63 -0.68 120.51 122.98 1aqx n ALA 86 Ca 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 1aqx n ALA 86 Cb 0.73 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 1aqx n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqx n ALA 87 N -0.83 1.63 0.90 0.00 0.00 -0.86 -3.68 120.51 117.68 1aqx n ALA 87 Ca 0.23 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.84 1aqx n ALA 87 Cb 0.15 -0.05 0.35 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.59 0.41 0.03 0.00 4.77 -0.74 -1.75 117.00 117.13 1aqx n LEU 88 Ca -0.25 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1aqx n LEU 88 Cb 0.97 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.78 1aqx n LEU 88 CO 0.30 0.04 0.04 0.52 -1.33 0.00 0.00 177.39 176.96 1aqx n VAL 89 N -1.66 0.19 0.12 4.08 0.31 0.14 -3.46 118.33 118.05 1aqx n VAL 89 Ca 0.06 -0.24 0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1aqx n VAL 89 Cb 0.36 0.17 -0.12 0.00 -0.91 0.00 0.00 33.84 33.35 1aqx n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1aqx n ASP 90 N -1.97 0.29 0.07 4.52 8.00 -1.10 -3.87 116.55 122.48 1aqx n ASP 90 Ca 0.02 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 1aqx n ASP 90 Cb 0.44 1.52 -0.13 0.00 -0.02 0.00 0.00 41.12 42.93 1aqx n ASP 90 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1aqx h MET 91 N 0.00 0.06 -0.03 -1.24 1.85 -1.41 -3.03 114.93 111.13 1aqx h MET 91 Ca 0.00 -0.11 -0.19 0.00 -0.61 0.00 0.00 59.70 58.79 1aqx h MET 91 Cb 0.95 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.01 1aqx h MET 91 CO 0.00 1.02 -0.80 0.28 -0.40 0.00 0.00 176.91 177.01 1aqx h VAL 92 N 0.02 1.44 -0.00 -5.77 2.07 -1.72 -3.20 116.25 109.08 1aqx h VAL 92 Ca -0.06 -2.37 -0.15 0.00 0.82 0.00 0.00 66.70 64.94 1aqx h VAL 92 Cb 1.83 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.88 1aqx h VAL 92 CO 0.14 0.70 -0.70 -1.13 0.02 0.00 0.00 177.57 176.60 1aqx h ASN 93 N 0.17 0.02 1.47 0.57 -0.73 -1.66 0.87 115.58 116.29 1aqx h ASN 93 Ca -0.04 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.02 1aqx h ASN 93 Cb 1.40 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.97 1aqx h ASN 93 CO 0.13 0.71 -0.48 0.44 -0.37 0.00 0.00 177.43 177.86 1aqx h ASP 94 N 0.01 0.00 0.30 1.15 5.19 -1.59 0.28 116.42 121.76 1aqx h ASP 94 Ca -0.01 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.07 1aqx h ASP 94 Cb 1.24 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.78 1aqx h ASP 94 CO 0.09 0.48 -1.50 1.23 -3.12 0.00 0.00 179.24 176.42 1aqx h GLY 95 N 3.43 0.57 2.00 2.75 0.00 -1.53 -1.85 103.07 108.44 1aqx h GLY 95 Ca -0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 47.33 45.83 1aqx h GLY 95 CO 0.06 1.27 -0.20 -2.08 0.00 0.00 0.00 176.54 175.59 1aqx h VAL 96 N 0.14 0.66 -0.00 4.60 2.07 -0.70 -1.63 116.25 121.38 1aqx h VAL 96 Ca -0.26 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1aqx h VAL 96 Cb 2.15 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1aqx h VAL 96 CO 0.26 0.20 -0.46 1.21 0.02 0.00 0.00 177.57 178.80 1aqx n GLU 97 N -3.59 0.28 -0.02 1.57 4.07 0.98 -3.43 120.64 120.51 1aqx n GLU 97 Ca -0.01 -0.17 -0.06 0.00 -0.06 0.00 0.00 57.16 56.86 1aqx n GLU 97 Cb 0.34 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.10 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 -1.21 0.72 0.04 4.31 9.92 -0.68 -2.98 116.55 126.67 1aqx n ASP 98 Ca 0.08 0.34 0.12 0.00 -0.53 0.00 0.00 54.79 54.79 1aqx n ASP 98 Cb 0.34 0.20 0.16 0.00 -0.64 0.00 0.00 41.12 41.19 1aqx n ASP 98 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1aqx n LEU 99 N -2.94 0.63 0.02 0.64 7.94 -0.81 -2.97 117.00 119.51 1aqx n LEU 99 Ca -0.17 0.12 0.01 0.00 -1.11 0.00 0.00 56.01 54.86 1aqx n LEU 99 Cb 1.00 -0.18 -0.09 0.00 0.53 0.00 0.00 43.42 44.68 1aqx n LEU 99 CO 0.44 0.01 -0.39 -1.14 -1.11 0.00 0.00 177.39 175.20 1aqx n ARG 100 N -1.92 0.63 0.20 1.96 0.63 -1.22 -2.11 116.66 114.83 1aqx n ARG 100 Ca 0.04 0.15 0.14 0.00 -0.92 0.00 0.00 57.85 57.26 1aqx n ARG 100 Cb 0.41 -1.75 0.47 0.00 0.45 0.00 0.00 32.46 32.04 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 -2.78 0.59 0.11 0.00 5.02 -1.16 -3.81 118.16 116.13 1aqx n LYS 102 Ca 0.03 -0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.40 1aqx n LYS 102 Cb 0.36 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.69 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 3.20 -0.49 -3.19 116.97 118.62 1aqx h TYR 103 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1aqx h TYR 103 Cb 0.97 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1aqx h TYR 103 CO 0.00 0.15 -0.04 0.82 -1.64 0.00 0.00 178.16 177.45 1aqx h ILE 104 N 0.00 0.08 0.00 1.81 2.04 -0.81 -2.30 117.51 118.33 1aqx h ILE 104 Ca -0.03 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1aqx h ILE 104 Cb 1.14 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1aqx h ILE 104 CO 0.01 0.04 -0.87 -1.20 0.00 0.00 0.00 178.15 176.13 1aqx n SER 105 N -3.12 0.75 0.08 1.72 7.64 -1.23 -2.58 113.62 116.88 1aqx n SER 105 Ca 0.03 0.16 0.04 0.00 1.01 0.00 0.00 58.87 60.11 1aqx n SER 105 Cb 0.50 0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 1aqx n SER 105 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1aqx h LEU 106 N 0.00 0.00 -2.29 -3.43 5.85 -1.48 -2.48 115.31 111.48 1aqx h LEU 106 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1aqx h LEU 106 Cb 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1aqx h LEU 106 CO 0.00 0.39 0.00 -0.38 -0.34 0.00 0.00 178.44 178.11 1aqx n ILE 107 N -2.91 0.46 -0.12 4.05 2.08 -0.89 -1.67 119.36 120.37 1aqx n ILE 107 Ca -0.04 -0.73 0.00 0.00 0.56 0.00 0.00 62.75 62.53 1aqx n ILE 107 Cb 0.73 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.64 1aqx n ILE 107 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1aqx n TYR 108 N 1.40 0.00 -0.64 1.39 4.01 -1.07 -4.81 117.16 117.44 1aqx n TYR 108 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 1aqx n TYR 108 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1aqx n TYR 108 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1aqx n THR 109 N 0.00 0.00 -1.64 -0.72 -2.24 -0.96 -4.97 114.28 103.76 1aqx n THR 109 Ca 0.00 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1aqx n THR 109 Cb 0.00 1.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1aqx n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aqx n ASN 110 N -0.04 0.00 0.02 3.42 4.05 -1.05 -4.98 115.26 116.68 1aqx n ASN 110 Ca 0.00 -0.78 0.01 0.00 0.45 0.00 0.00 54.58 54.26 1aqx n ASN 110 Cb 0.16 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.21 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 0.05 0.01 1.20 4.19 -0.67 -1.76 117.16 120.18 1aqx n TYR 111 Ca 0.00 0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1aqx n TYR 111 Cb 0.39 -0.34 0.00 0.00 0.49 0.00 0.00 39.34 39.88 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 -1.39 0.16 0.00 2.98 4.71 -1.26 -4.09 120.64 121.76 1aqx n GLU 112 Ca -0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 57.16 56.35 1aqx n GLU 112 Cb 0.22 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 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 -0.13 1.42 -1.75 0.62 0.00 -0.72 -4.84 120.51 115.11 1aqx n ALA 113 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 1aqx n ALA 113 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.12 -0.34 0.02 0.00 0.00 -1.01 -4.96 105.19 98.78 1aqx n GLY 114 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1aqx n GLY 114 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aqx n LYS 115 N -0.05 0.19 0.00 1.61 -0.00 -1.25 -3.12 118.16 115.55 1aqx n LYS 115 Ca -0.05 -0.04 0.06 0.00 -0.00 0.00 0.00 58.31 58.28 1aqx n LYS 115 Cb 0.37 -1.50 0.02 0.00 -0.00 0.00 0.00 35.03 33.92 1aqx n LYS 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1aqx n ASP 116 N -1.36 1.61 -0.24 -5.58 8.00 -1.26 -3.97 116.55 113.74 1aqx n ASP 116 Ca 0.09 -1.30 0.12 0.00 0.71 0.00 0.00 54.79 54.41 1aqx n ASP 116 Cb 0.31 0.29 0.13 0.00 -0.02 0.00 0.00 41.12 41.82 1aqx n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1aqx n ASP 117 N 0.14 1.27 -0.04 -2.24 8.00 -1.18 -3.49 116.55 119.01 1aqx n ASP 117 Ca 0.06 -1.02 -0.03 0.00 0.71 0.00 0.00 54.79 54.51 1aqx n ASP 117 Cb 0.27 0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.76 0.37 0.67 1.24 4.19 -1.21 -3.90 117.16 117.77 1aqx n TYR 118 Ca 0.08 0.13 0.12 0.00 3.31 0.00 0.00 57.90 61.54 1aqx n TYR 118 Cb 0.38 -0.94 0.21 0.00 0.49 0.00 0.00 39.34 39.48 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 -2.72 0.27 0.55 2.97 0.31 -1.25 -2.85 118.33 115.62 1aqx n VAL 119 Ca -0.19 -0.21 0.13 0.00 -0.01 0.00 0.00 64.34 64.06 1aqx n VAL 119 Cb 0.94 -0.07 0.39 0.00 -0.91 0.00 0.00 33.84 34.18 1aqx n VAL 119 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1aqx h LYS 120 N 0.00 0.00 0.00 5.55 5.09 -1.67 -3.26 116.57 122.28 1aqx h LYS 120 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1aqx h LYS 120 Cb 0.69 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.02 1aqx h LYS 120 CO 0.00 0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.36 1aqx n ALA 121 N -1.83 1.83 0.22 0.07 0.00 -1.23 -4.76 120.51 114.81 1aqx n ALA 121 Ca 0.05 -0.53 0.07 0.00 0.00 0.00 0.00 53.44 53.03 1aqx n ALA 121 Cb 0.43 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.00 -0.28 0.00 5.85 -1.56 -2.97 115.31 116.35 1aqx h LEU 122 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1aqx h LEU 122 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1aqx h LEU 122 CO 0.00 0.25 0.07 -0.65 -0.34 0.00 0.00 178.44 177.78 1aqx h PRO 123 N 0.00 0.45 0.00 5.25 0.11 -1.86 -1.45 132.00 134.49 1aqx h PRO 123 Ca -0.00 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1aqx h PRO 123 Cb 0.53 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1aqx h PRO 123 CO 0.03 0.52 -0.21 0.78 -0.21 0.00 0.00 178.00 178.91 1aqx h GLY 124 N 0.29 0.00 2.00 -0.55 0.00 -1.92 0.28 103.07 103.17 1aqx h GLY 124 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1aqx h GLY 124 CO -0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.54 174.93 1aqx h GLN 125 N 0.00 0.00 0.00 4.80 5.75 -1.19 -3.10 115.11 121.37 1aqx h GLN 125 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1aqx h GLN 125 Cb 0.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1aqx h GLN 125 CO 0.03 0.00 -1.28 1.28 -2.65 0.00 0.00 178.83 176.21 1aqx n LEU 126 N -2.31 0.23 -0.23 -2.39 4.77 -0.12 -4.53 117.00 112.43 1aqx n LEU 126 Ca 0.03 -0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 55.79 1aqx n LEU 126 Cb 0.32 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1aqx n LEU 126 CO 0.25 0.06 1.14 0.50 -1.33 0.00 0.00 177.39 178.01 1aqx h LYS 127 N 0.00 0.83 -0.66 3.23 3.64 -0.45 -3.04 116.57 120.12 1aqx h LYS 127 Ca 0.00 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1aqx h LYS 127 Cb 0.53 -0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.04 1aqx h LYS 127 CO 0.00 0.55 -0.10 -1.35 -2.27 0.00 0.00 179.45 176.28 1aqx h PRO 128 N 0.86 0.04 0.00 1.90 0.11 -1.80 0.12 132.00 133.23 1aqx h PRO 128 Ca 0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1aqx h PRO 128 Cb -0.05 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1aqx h PRO 128 CO -0.07 0.02 -0.00 0.74 -0.21 0.00 0.00 178.00 178.48 1aqx h PHE 129 N 0.04 0.00 0.00 0.65 -1.00 -1.83 -2.27 116.94 112.52 1aqx h PHE 129 Ca 0.33 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.08 1aqx h PHE 129 Cb 0.53 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.09 1aqx h PHE 129 CO -0.48 0.00 -0.63 1.49 -1.61 0.00 0.00 178.31 177.08 1aqx h GLU 130 N 0.00 0.00 0.00 1.51 4.57 -1.00 -3.08 114.58 116.58 1aqx h GLU 130 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1aqx h GLU 130 Cb 0.61 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1aqx h GLU 130 CO 0.00 0.11 -0.01 1.15 -1.18 0.00 0.00 179.01 179.07 1aqx h THR 131 N 0.00 0.02 0.00 0.32 2.02 -0.29 -1.92 112.91 113.06 1aqx h THR 131 Ca -0.02 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1aqx h THR 131 Cb 1.13 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1aqx h THR 131 CO 0.01 0.01 -1.21 0.18 0.37 0.00 0.00 175.52 174.89 1aqx n LEU 132 N -3.10 0.64 0.04 2.58 4.77 -0.97 -3.08 117.00 117.88 1aqx n LEU 132 Ca 0.04 0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 1aqx n LEU 132 Cb 0.51 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1aqx n LEU 132 CO 0.33 -0.12 -0.39 -0.07 -1.33 0.00 0.00 177.39 175.81 1aqx h LEU 133 N 0.00 0.32 -1.74 2.23 3.38 -1.45 -1.28 115.31 116.77 1aqx h LEU 133 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1aqx h LEU 133 Cb 0.97 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1aqx h LEU 133 CO 0.00 1.41 0.00 0.77 0.09 0.00 0.00 178.44 180.71 1aqx h SER 134 N 0.06 0.00 -0.02 -0.43 4.64 -1.45 0.59 113.55 116.93 1aqx h SER 134 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1aqx h SER 134 Cb 2.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1aqx h SER 134 CO 0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.83 1aqx n GLN 135 N -2.99 1.70 -0.59 4.77 6.02 -1.14 -4.66 117.38 120.48 1aqx n GLN 135 Ca -0.00 -1.40 -0.01 0.00 -0.01 0.00 0.00 57.00 55.58 1aqx n GLN 135 Cb 0.24 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.58 0.03 -0.35 1.08 5.15 0.01 -4.82 115.26 116.93 1aqx n ASN 136 Ca 0.11 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 1aqx n ASN 136 Cb 0.52 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 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 -1.04 0.00 0.00 1.20 1.13 -1.26 -3.96 117.38 113.45 1aqx n GLN 137 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1aqx n GLN 137 Cb 0.01 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 29.54 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 1.33 1.01 1.08 0.00 -1.25 -4.30 105.19 103.15 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 -0.07 0.70 0.27 -0.02 0.00 -0.13 -4.67 105.19 101.28 1aqx n GLY 139 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.05 1.36 0.00 1.61 4.76 -1.26 -4.76 118.16 117.82 1aqx n LYS 140 Ca 0.00 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1aqx n LYS 140 Cb 0.00 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 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 -0.23 0.00 -2.81 -0.18 -2.24 -1.26 -5.08 114.28 102.49 1aqx n THR 141 Ca 0.14 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.78 1aqx n THR 141 Cb 0.19 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1aqx n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1aqx n PHE 142 N 0.00 -2.75 0.38 4.78 3.72 -1.26 -5.00 117.46 117.33 1aqx n PHE 142 Ca 0.00 -1.33 0.14 0.00 -0.05 0.00 0.00 57.45 56.21 1aqx n PHE 142 Cb 0.00 -0.42 0.51 0.00 -0.94 0.00 0.00 39.48 38.63 1aqx n PHE 142 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 1aqx h ILE 143 N -0.18 0.00 -3.17 4.37 6.09 -1.97 -3.44 117.51 119.20 1aqx h ILE 143 Ca -0.20 -0.44 -0.13 0.00 -1.37 0.00 0.00 64.86 62.73 1aqx h ILE 143 Cb 0.83 1.32 -0.20 0.00 0.47 0.00 0.00 36.82 39.24 1aqx h ILE 143 CO 0.25 0.00 -0.34 -0.69 -3.07 0.00 0.00 178.15 174.30 1aqx s VAL 144 N -3.39 0.06 0.00 2.19 1.01 -1.26 -4.87 120.40 114.14 1aqx s VAL 144 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1aqx s VAL 144 Cb 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1aqx s VAL 144 CO 0.50 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1aqx n GLY 145 N 1.42 0.39 0.72 4.51 0.00 -1.26 -3.97 105.19 107.00 1aqx n GLY 145 Ca -0.21 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.22 1aqx n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqx n ASP 146 N -3.76 2.31 -4.58 1.61 8.00 -1.26 -4.31 116.55 114.56 1aqx n ASP 146 Ca 0.00 -1.73 -0.25 0.00 0.71 0.00 0.00 54.79 53.52 1aqx n ASP 146 Cb 0.00 0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 1aqx n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1aqx s GLN 147 N -2.08 1.95 0.42 -1.24 1.11 -1.25 -4.87 119.66 113.70 1aqx s GLN 147 Ca 0.30 -1.79 -0.10 0.00 0.01 0.00 0.00 55.36 53.78 1aqx s GLN 147 Cb 0.20 -1.85 -0.06 0.00 -1.01 0.00 0.00 33.01 30.29 1aqx s GLN 147 CO 0.35 0.18 0.79 -1.50 0.01 0.00 0.00 175.29 175.12 1aqx s ILE 148 N -2.53 4.79 0.36 1.08 2.07 -1.26 -4.60 121.20 121.10 1aqx s ILE 148 Ca 0.33 0.61 0.06 0.00 -1.41 0.00 0.00 60.65 60.24 1aqx s ILE 148 Cb -0.00 -3.75 -0.03 0.00 0.13 0.00 0.00 42.46 38.81 1aqx s ILE 148 CO 0.18 -0.58 0.23 -0.94 -1.91 0.00 0.00 174.94 171.92 1aqx s SER 149 N -3.28 2.11 0.00 4.50 1.04 -1.26 -4.70 113.70 112.11 1aqx s SER 149 Ca 0.51 -1.74 0.21 0.00 0.48 0.00 0.00 55.95 55.41 1aqx s SER 149 Cb -0.10 0.56 1.00 0.00 0.10 0.00 0.00 66.02 67.58 1aqx s SER 149 CO 0.33 -1.03 1.66 2.22 0.98 0.00 0.00 173.24 177.41 1aqx n PHE 150 N -0.74 0.00 0.13 5.02 -1.74 -0.90 -2.18 117.46 117.05 1aqx n PHE 150 Ca 0.02 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.93 1aqx n PHE 150 Cb 0.63 -0.35 0.01 0.00 1.52 0.00 0.00 39.48 41.29 1aqx n PHE 150 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1aqx h ALA 151 N 2.90 0.65 -0.12 1.98 0.00 -1.86 -2.95 119.26 119.86 1aqx h ALA 151 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1aqx h ALA 151 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1aqx h ALA 151 CO 0.00 0.69 -0.37 -0.44 0.00 0.00 0.00 179.25 179.13 1aqx h ASP 152 N 0.00 0.27 1.18 0.00 3.32 -1.84 -0.92 116.42 118.43 1aqx h ASP 152 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1aqx h ASP 152 Cb 1.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1aqx h ASP 152 CO 0.07 0.62 -0.46 1.88 -1.72 0.00 0.00 179.24 179.63 1aqx h TYR 153 N 0.22 0.00 0.00 4.55 0.05 -1.67 -0.52 116.97 119.60 1aqx h TYR 153 Ca 0.02 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 1aqx h TYR 153 Cb 0.76 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1aqx h TYR 153 CO 0.01 0.00 -1.27 -0.97 -1.05 0.00 0.00 178.16 174.88 1aqx h ASN 154 N 0.00 0.00 0.51 3.88 -0.00 -1.27 -3.19 115.58 115.52 1aqx h ASN 154 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.05 1aqx h ASN 154 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.10 1aqx h ASN 154 CO 0.00 0.74 -1.67 -0.11 -0.00 0.00 0.00 177.43 176.38 1aqx n LEU 155 N -3.05 0.79 0.24 0.34 7.94 -0.39 -2.96 117.00 119.91 1aqx n LEU 155 Ca -0.08 0.37 0.12 0.00 -1.11 0.00 0.00 56.01 55.31 1aqx n LEU 155 Cb 0.89 0.16 0.56 0.00 0.53 0.00 0.00 43.42 45.56 1aqx n LEU 155 CO 0.44 0.31 0.88 0.25 -1.11 0.00 0.00 177.39 178.16 1aqx h LEU 156 N 0.00 0.00 0.04 -1.96 5.85 -1.20 0.18 115.31 118.22 1aqx h LEU 156 Ca -0.26 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.13 1aqx h LEU 156 Cb 1.88 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.87 1aqx h LEU 156 CO 0.06 0.15 -1.87 -0.67 -0.34 0.00 0.00 178.44 175.78 1aqx n ASP 157 N -3.34 1.27 0.20 1.25 2.03 -1.20 -2.00 116.55 114.77 1aqx n ASP 157 Ca -0.00 0.31 0.07 0.00 0.52 0.00 0.00 54.79 55.69 1aqx n ASP 157 Cb 0.37 -0.28 0.40 0.00 -0.72 0.00 0.00 41.12 40.89 1aqx n ASP 157 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1aqx h LEU 158 N 0.02 0.00 0.00 -2.67 5.85 -1.38 0.68 115.31 117.81 1aqx h LEU 158 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1aqx h LEU 158 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 1aqx h LEU 158 CO 0.07 0.31 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.72 1aqx h LEU 159 N 0.00 0.00 0.07 2.25 3.38 -0.72 -3.15 115.31 117.14 1aqx h LEU 159 Ca -0.00 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 1aqx h LEU 159 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1aqx h LEU 159 CO 0.04 0.03 -1.44 -0.07 0.09 0.00 0.00 178.44 177.08 1aqx h LEU 160 N 0.00 0.22 -0.69 1.67 3.38 -0.66 -3.13 115.31 116.10 1aqx h LEU 160 Ca 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1aqx h LEU 160 Cb 0.93 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1aqx h LEU 160 CO 0.00 1.26 -0.04 2.30 0.09 0.00 0.00 178.44 182.05 1aqx n ILE 161 N -3.35 0.00 -0.07 1.22 -5.35 0.14 -3.24 119.36 108.70 1aqx n ILE 161 Ca -0.13 -0.18 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 1aqx n ILE 161 Cb 1.02 0.28 -0.16 0.00 -1.74 0.00 0.00 39.64 39.04 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 -0.22 0.06 0.63 4.28 8.25 -1.19 -3.53 115.22 123.50 1aqx n HIS 162 Ca 0.18 0.02 0.08 0.00 -0.26 0.00 0.00 57.72 57.74 1aqx n HIS 162 Cb 0.31 -0.90 0.37 0.00 1.12 0.00 0.00 29.99 30.88 1aqx n HIS 162 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1aqx n GLU 163 N -2.66 0.09 -0.03 -0.41 -0.58 -1.18 -1.82 120.64 114.04 1aqx n GLU 163 Ca -0.26 0.19 0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1aqx n GLU 163 Cb 1.02 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.25 1aqx n GLU 163 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1aqx n VAL 164 N -1.42 0.36 0.04 2.62 0.31 -1.25 -3.46 118.33 115.53 1aqx n VAL 164 Ca 0.05 -0.52 0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1aqx n VAL 164 Cb 0.16 -0.11 -0.10 0.00 -0.91 0.00 0.00 33.84 32.88 1aqx n VAL 164 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aqx n LEU 165 N -2.30 0.35 -3.14 7.52 -0.00 -1.03 -4.63 117.00 113.76 1aqx n LEU 165 Ca -0.11 0.13 -0.15 0.00 -0.00 0.00 0.00 56.01 55.89 1aqx n LEU 165 Cb 0.66 -0.02 -0.05 0.00 -0.00 0.00 0.00 43.42 44.01 1aqx n LEU 165 CO 0.39 -0.08 -0.10 0.00 -0.00 0.00 0.00 177.39 177.61 1aqx s ALA 166 N -3.45 -0.54 0.18 1.47 0.00 -0.76 -5.10 121.76 113.56 1aqx s ALA 166 Ca -0.05 -1.21 -0.32 0.00 0.00 0.00 0.00 51.96 50.38 1aqx s ALA 166 Cb 0.12 -2.18 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 1aqx s ALA 166 CO 0.86 -2.13 1.73 -2.14 0.00 0.00 0.00 175.76 174.08 1aqx s PRO 167 N 0.78 4.14 0.00 0.00 0.02 -1.22 -2.38 135.00 136.33 1aqx s PRO 167 Ca 0.27 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1aqx s PRO 167 Cb -0.03 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1aqx s PRO 167 CO -0.10 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 1aqx n GLY 168 N 4.02 0.94 0.00 0.52 0.00 -1.26 -4.96 105.19 104.44 1aqx n GLY 168 Ca 0.16 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.22 2.46 0.00 0.00 4.77 -1.26 -4.56 117.00 117.18 1aqx n LEU 170 Ca 0.16 -1.50 0.12 0.00 -0.03 0.00 0.00 56.01 54.76 1aqx n LEU 170 Cb 0.21 -0.12 0.55 0.00 -2.33 0.00 0.00 43.42 41.73 1aqx n LEU 170 CO 0.22 0.55 0.89 0.47 -1.33 0.00 0.00 177.39 178.20 1aqx n ASP 171 N 0.60 0.00 -0.00 -1.43 8.00 -1.19 -2.54 116.55 119.99 1aqx n ASP 171 Ca 0.09 0.31 0.08 0.00 0.71 0.00 0.00 54.79 55.99 1aqx n ASP 171 Cb 0.36 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 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 -1.43 4.15 -3.80 2.24 0.00 -1.26 -4.71 120.51 115.69 1aqx n ALA 172 Ca 0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 1aqx n ALA 172 Cb 0.25 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.72 3.57 0.26 0.00 0.08 -1.05 -4.96 117.98 113.15 1aqx s PHE 173 Ca 0.05 -3.11 -0.02 0.00 0.12 0.00 0.00 56.93 53.97 1aqx s PHE 173 Cb 0.13 -2.97 0.54 0.00 -0.57 0.00 0.00 43.02 40.15 1aqx s PHE 173 CO 0.73 -0.69 1.70 -1.35 -0.10 0.00 0.00 175.22 175.51 1aqx h PRO 174 N 6.06 0.35 0.00 0.24 0.11 -1.84 -1.95 132.00 134.97 1aqx h PRO 174 Ca 0.08 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1aqx h PRO 174 Cb 0.83 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1aqx h PRO 174 CO 0.75 0.23 -0.44 -0.07 -0.21 0.00 0.00 178.00 178.26 1aqx h LEU 175 N 0.36 0.00 0.00 2.35 3.38 -1.93 -2.96 115.31 116.51 1aqx h LEU 175 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1aqx h LEU 175 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1aqx h LEU 175 CO -0.49 0.44 -0.34 -0.07 0.09 0.00 0.00 178.44 178.07 1aqx h LEU 176 N 0.00 0.00 0.00 1.67 3.38 -1.74 -2.11 115.31 116.51 1aqx h LEU 176 Ca -0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1aqx h LEU 176 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1aqx h LEU 176 CO 0.06 0.03 -0.69 0.28 0.09 0.00 0.00 178.44 178.21 1aqx h SER 177 N 0.00 0.00 0.03 -0.43 0.02 -1.25 -2.61 113.55 109.31 1aqx h SER 177 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1aqx h SER 177 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1aqx h SER 177 CO 0.00 0.38 -1.92 0.00 -1.14 0.00 0.00 176.83 174.15 1aqx n ALA 178 N -2.24 2.89 0.11 3.77 0.00 -1.13 -3.62 120.51 120.29 1aqx n ALA 178 Ca -0.01 -0.51 0.08 0.00 0.00 0.00 0.00 53.44 53.01 1aqx n ALA 178 Cb 0.70 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.01 0.00 5.03 -1.46 -2.80 116.97 117.73 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 0.98 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1aqx h TYR 179 CO 0.00 0.16 -0.34 0.28 -1.32 0.00 0.00 178.16 176.94 1aqx n VAL 180 N -2.82 0.00 -0.02 1.81 0.31 -0.98 -3.35 118.33 113.28 1aqx n VAL 180 Ca -0.01 -0.13 0.05 0.00 -0.01 0.00 0.00 64.34 64.24 1aqx n VAL 180 Cb 0.62 0.54 -0.13 0.00 -0.91 0.00 0.00 33.84 33.97 1aqx n VAL 180 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aqx n GLY 181 N 1.37 -0.74 0.01 2.92 0.00 -1.21 -4.16 105.19 103.37 1aqx n GLY 181 Ca 0.11 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1aqx n GLY 181 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1aqx n ARG 182 N -2.16 0.05 -0.03 1.61 0.63 -1.06 -3.68 116.66 112.02 1aqx n ARG 182 Ca -0.07 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.88 1aqx n ARG 182 Cb 0.53 -1.52 -0.15 0.00 0.45 0.00 0.00 32.46 31.77 1aqx n ARG 182 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1aqx n LEU 183 N -1.59 0.15 -0.11 6.15 4.32 -1.21 -3.79 117.00 120.93 1aqx n LEU 183 Ca 0.04 0.07 0.14 0.00 -0.02 0.00 0.00 56.01 56.24 1aqx n LEU 183 Cb 0.35 0.19 0.52 0.00 -1.62 0.00 0.00 43.42 42.86 1aqx n LEU 183 CO 0.38 0.19 0.78 -1.20 -1.22 0.00 0.00 177.39 176.32 1aqx n SER 184 N -2.54 0.51 -0.71 -1.43 7.64 -1.26 -3.00 113.62 112.83 1aqx n SER 184 Ca -0.15 -0.46 0.12 0.00 1.01 0.00 0.00 58.87 59.39 1aqx n SER 184 Cb 0.82 -0.04 0.06 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.05 3.02 -2.04 -0.43 0.00 -1.24 -3.58 120.51 115.19 1aqx n ALA 185 Ca 0.12 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1aqx n ALA 185 Cb 0.30 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.25 4.11 0.03 0.00 0.52 -1.16 -4.80 118.95 115.40 1aqx s ARG 186 Ca 0.23 2.07 -0.04 0.00 -0.52 0.00 0.00 55.73 57.47 1aqx s ARG 186 Cb 0.19 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.68 1aqx s ARG 186 CO 0.44 -0.93 0.23 -2.30 0.02 0.00 0.00 175.30 172.77 1aqx n PRO 187 N 7.20 -0.06 0.13 3.54 -0.02 -1.26 -0.46 135.00 144.08 1aqx n PRO 187 Ca 0.17 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1aqx n PRO 187 Cb 0.43 -0.34 0.29 0.00 -0.02 0.00 0.00 33.50 33.86 1aqx n PRO 187 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1aqx h LYS 188 N 0.00 0.00 0.00 -0.52 1.57 -1.89 -2.98 116.57 112.75 1aqx h LYS 188 Ca 0.03 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1aqx h LYS 188 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1aqx h LYS 188 CO -0.14 0.00 -1.86 -0.11 -0.57 0.00 0.00 179.45 176.76 1aqx n LEU 189 N -2.52 0.42 0.19 2.94 7.94 0.39 -3.32 117.00 123.04 1aqx n LEU 189 Ca 0.05 0.18 0.13 0.00 -1.11 0.00 0.00 56.01 55.26 1aqx n LEU 189 Cb 0.47 0.21 0.33 0.00 0.53 0.00 0.00 43.42 44.95 1aqx n LEU 189 CO 0.33 0.25 0.86 0.50 -1.11 0.00 0.00 177.39 178.22 1aqx h LYS 190 N 0.00 0.00 0.00 1.96 3.64 -1.06 -1.93 116.57 119.18 1aqx h LYS 190 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1aqx h LYS 190 Cb 1.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 1aqx h LYS 190 CO 0.03 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.85 1aqx h ALA 191 N 2.16 0.76 0.00 5.00 0.00 -1.59 -3.21 119.26 122.38 1aqx h ALA 191 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aqx h ALA 191 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1aqx h ALA 191 CO 0.00 0.00 -1.59 0.34 0.00 0.00 0.00 179.25 178.00 1aqx n PHE 192 N -2.22 0.13 0.09 0.00 7.35 -0.85 -3.73 117.46 118.23 1aqx n PHE 192 Ca 0.04 0.04 0.06 0.00 -0.76 0.00 0.00 57.45 56.83 1aqx n PHE 192 Cb 0.44 -0.44 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1aqx n PHE 192 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1aqx h LEU 193 N 0.00 0.00 -1.16 -2.13 3.38 -1.41 -3.29 115.31 110.69 1aqx h LEU 193 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aqx h LEU 193 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1aqx h LEU 193 CO 0.00 0.30 -0.26 0.00 0.09 0.00 0.00 178.44 178.57 1aqx n ALA 194 N -2.26 3.08 -1.94 1.53 0.00 -1.22 -4.40 120.51 115.29 1aqx n ALA 194 Ca -0.03 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 1aqx n ALA 194 Cb 0.69 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.30 6.58 0.52 0.00 1.04 -1.24 -4.85 113.70 113.45 1aqx s SER 195 Ca 0.24 1.44 0.30 0.00 0.48 0.00 0.00 55.95 58.41 1aqx s SER 195 Cb 0.19 -2.45 1.39 0.00 0.10 0.00 0.00 66.02 65.25 1aqx s SER 195 CO 0.46 -0.54 2.01 -0.65 0.98 0.00 0.00 173.24 175.50 1aqx h PRO 196 N 0.97 0.00 -0.19 4.02 0.11 -1.92 0.72 132.00 135.72 1aqx h PRO 196 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1aqx h PRO 196 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1aqx h PRO 196 CO 0.62 0.10 0.09 1.49 -0.21 0.00 0.00 178.00 180.10 1aqx h GLU 197 N 0.00 0.25 0.00 1.05 4.81 -1.93 -1.98 114.58 116.79 1aqx h GLU 197 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1aqx h GLU 197 Cb 0.46 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1aqx h GLU 197 CO 0.01 0.20 -1.07 0.98 -0.73 0.00 0.00 179.01 178.40 1aqx n TYR 198 N -4.48 0.00 0.44 0.92 4.19 -0.97 -4.62 117.16 112.64 1aqx n TYR 198 Ca -0.00 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.33 1aqx n TYR 198 Cb 0.10 -0.04 0.28 0.00 0.49 0.00 0.00 39.34 40.17 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 0.00 -0.02 2.97 2.07 0.45 -3.33 116.25 118.39 1aqx h VAL 199 Ca -0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1aqx h VAL 199 Cb 0.26 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1aqx h VAL 199 CO 0.00 0.00 -0.31 0.59 0.02 0.00 0.00 177.57 177.87 1aqx n ASN 200 N -2.59 2.18 -4.94 0.57 3.02 -0.75 -4.94 115.26 107.82 1aqx n ASN 200 Ca 0.05 -1.59 -0.27 0.00 -0.03 0.00 0.00 54.58 52.73 1aqx n ASN 200 Cb 0.47 0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 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 -2.19 4.34 0.58 3.41 1.43 -1.25 -5.09 118.68 119.90 1aqx s LEU 201 Ca 0.19 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 1aqx s LEU 201 Cb 0.17 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1aqx s LEU 201 CO 0.45 0.07 1.03 -2.16 0.23 0.00 0.00 176.35 175.97 1aqx s PRO 202 N -3.08 3.54 0.38 1.29 0.04 -1.26 -4.79 135.00 131.11 1aqx s PRO 202 Ca 0.35 1.04 0.13 0.00 0.04 0.00 0.00 61.00 62.55 1aqx s PRO 202 Cb -0.11 -2.07 0.76 0.00 0.04 0.00 0.00 34.50 33.12 1aqx s PRO 202 CO 0.28 -0.62 1.85 0.82 0.04 0.00 0.00 177.00 179.37 1aqx h ILE 203 N 0.40 1.25 -4.95 0.56 2.04 -1.94 -0.23 117.51 114.65 1aqx h ILE 203 Ca -0.46 -1.17 -0.57 0.00 1.00 0.00 0.00 64.86 63.65 1aqx h ILE 203 Cb 1.20 1.63 -0.13 0.00 -0.74 0.00 0.00 36.82 38.79 1aqx h ILE 203 CO 0.59 0.34 -0.47 0.59 0.00 0.00 0.00 178.15 179.20 1aqx n ASN 204 N -4.13 1.43 0.03 1.72 4.13 -1.26 -1.88 115.26 115.30 1aqx n ASN 204 Ca -0.02 -3.20 0.05 0.00 1.68 0.00 0.00 54.58 53.08 1aqx n ASN 204 Cb 0.38 0.98 -0.09 0.00 -1.54 0.00 0.00 39.78 39.51 1aqx n ASN 204 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aqx n GLY 205 N -0.87 -1.20 0.30 7.41 0.00 -1.26 -3.98 105.19 105.59 1aqx n GLY 205 Ca -0.07 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.66 1.03 0.00 1.61 2.04 -1.26 -4.93 115.26 111.08 1aqx n ASN 206 Ca -0.08 -1.10 0.00 0.00 -0.44 0.00 0.00 54.58 52.96 1aqx n ASN 206 Cb 0.73 0.03 0.00 0.00 -2.53 0.00 0.00 39.78 38.01 1aqx n ASN 206 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1aqx n GLY 207 N 1.23 1.74 3.90 4.83 0.00 -1.26 -5.05 105.19 110.59 1aqx n GLY 207 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.19 3.27 0.00 1.61 1.02 -1.26 -4.94 119.74 119.25 1aqx s LYS 208 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1aqx s LYS 208 Cb 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1aqx s LYS 208 CO 0.00 -0.48 0.00 0.00 -0.92 0.00 0.00 175.35 173.95